CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010765735	0	28	-2.0	-104.15	273.16	3.22	-100.93
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765772	1	38	-2.0	-96.25	347.49	1.97	-94.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010765930	1	40	-2.0	-91.17	375.95	2.93	-88.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010765937	0	25	-2.0	-102.79	267.16	3.28	-99.51
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010769051	1	27	-2.0	-110.48	295.84	4.40	-106.08
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010769061	1	27	-2.0	-112.24	289.76	3.93	-108.31
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010769065	1	27	-2.0	-110.02	283.31	3.92	-106.10
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010769072	1	29	-2.0	-112.38	292.84	4.93	-107.45
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010769076	0	27	-2.0	-116.72	269.21	3.19	-113.53
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010769087	1	29	-2.0	-108.57	301.93	4.41	-104.16
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010769106	0	29	-2.0	-110.69	298.02	4.02	-106.67
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010769107	1	29	-2.0	-105.71	294.29	3.89	-101.82
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010769108	1	27	-2.0	-110.48	278.15	4.17	-106.31
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769114	1	30	-2.0	-106.14	291.16	-0.80	-106.94
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010769131	0	27	-2.0	-122.92	270.47	3.65	-119.27
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010769140	1	36	-2.0	-113.48	342.78	4.83	-108.65
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010769141	1	29	-2.0	-117.14	295.69	4.64	-112.50
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769143	0	35	-2.0	-116.38	315.93	4.26	-112.12
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769151	1	33	-2.0	-121.13	321.43	5.46	-115.67
CC1=NC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(Br)N1C	REAL300010769162	1	30	-2.0	-131.11	289.60	2.26	-128.85
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010769164	0	31	-2.0	-99.83	296.73	2.53	-97.30
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010769166	1	28	-2.0	-109.09	294.08	3.75	-105.34
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010769195	1	30	-2.0	-116.64	288.12	1.68	-114.96
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010769196	1	29	-2.0	-112.16	288.42	4.84	-107.32
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010769206	1	30	-2.0	-116.32	284.32	3.24	-113.08
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010769207	1	30	-2.0	-123.65	299.43	4.86	-118.79
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769208	1	41	-2.0	-115.10	365.76	1.35	-113.75
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769243	1	33	-2.0	-119.79	323.26	3.97	-115.82
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010769257	1	31	-2.0	-111.07	304.38	0.26	-110.81
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010769263	1	27	-2.0	-108.95	296.52	4.50	-104.45
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010769269	1	26	-2.0	-124.63	260.65	1.57	-123.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769277	1	33	-2.0	-119.31	312.94	3.53	-115.78
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])O1	REAL300010769285	1	33	-2.0	-117.23	305.57	2.16	-115.07
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010769297	1	26	-2.0	-118.31	270.10	1.46	-116.85
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010769309	1	27	-2.0	-112.98	263.81	0.31	-112.67
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010769326	1	24	-2.0	-126.65	248.59	0.73	-125.92
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010769328	1	26	-2.0	-110.14	273.17	2.00	-108.14
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010769340	0	30	-2.0	-120.97	295.72	3.92	-117.05
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010769341	1	30	-2.0	-113.73	281.30	1.43	-112.30
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769368	1	31	-2.0	-128.85	297.09	3.03	-125.82
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010769390	0	24	-2.0	-117.13	249.90	1.47	-115.66
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769399	1	31	-2.0	-118.24	285.32	3.39	-114.85
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010769415	1	43	-2.0	-86.74	390.23	2.20	-84.54
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1	REAL300010769417	0	30	-2.0	-109.50	306.76	2.17	-107.33
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010769421	0	30	-2.0	-99.25	280.72	3.42	-95.83
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010769424	1	30	-2.0	-127.52	277.56	1.97	-125.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010769425	0	28	-2.0	-106.29	285.81	3.06	-103.23
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010769445	1	24	-2.0	-112.11	252.51	1.52	-110.59
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010769466	1	27	-2.0	-110.00	271.98	2.01	-107.99
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010769480	1	30	-2.0	-122.72	302.90	4.98	-117.74
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010769484	1	32	-2.0	-122.19	310.89	4.32	-117.87
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010769485	1	33	-2.0	-116.43	325.39	4.11	-112.32
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010769489	0	27	-2.0	-118.61	277.94	3.69	-114.92
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769490	1	29	-2.0	-116.55	289.14	2.06	-114.49
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769493	1	29	-2.0	-116.55	289.14	2.06	-114.49
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769496	1	31	-2.0	-129.61	299.99	3.75	-125.86
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010769499	1	27	-2.0	-112.00	275.65	3.40	-108.60
CC1=NC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010769506	1	36	-2.0	-133.63	324.19	1.76	-131.87
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769517	1	33	-2.0	-98.51	307.60	0.53	-97.98
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=N[N-]1	REAL300010769517	1	33	-2.0	-98.53	307.72	0.53	-98.00
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1	REAL300010769519	0	30	-2.0	-108.73	302.69	2.06	-106.67
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769521	1	31	-2.0	-116.99	299.48	3.96	-113.03
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])C(F)=C1	REAL300010769523	1	31	-2.0	-123.36	286.12	2.36	-121.00
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010769527	1	24	-2.0	-107.75	273.20	2.89	-104.86
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010769532	1	24	-2.0	-115.17	266.63	2.83	-112.34
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010769555	0	25	-2.0	-119.24	261.15	0.60	-118.64
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769561	1	36	-2.0	-106.89	328.22	0.74	-106.15
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010769565	0	26	-2.0	-123.03	269.99	1.55	-121.48
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010769583	1	29	-2.0	-127.16	273.40	2.08	-125.08
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010769587	0	26	-2.0	-112.94	276.19	2.20	-110.74
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769600	1	33	-2.0	-115.35	311.26	4.94	-110.41
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769602	1	33	-2.0	-135.74	298.61	4.48	-131.26
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010769607	0	23	-2.0	-108.72	252.06	1.20	-107.52
CC(CC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010769611	0	32	-2.0	-104.36	295.36	2.78	-101.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010770336	1	34	-2.0	-105.87	326.48	0.87	-105.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010770396	0	35	-2.0	-108.41	325.30	3.31	-105.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010770618	0	32	-2.0	-109.60	292.97	2.37	-107.23
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010770664	0	39	-2.0	-104.34	328.15	3.22	-101.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010770710	0	34	-2.0	-101.17	314.81	4.14	-97.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010770716	0	32	-2.0	-97.44	313.31	4.47	-92.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010770797	0	32	-2.0	-109.60	292.97	2.37	-107.23
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770845	1	37	-2.0	-109.62	339.42	1.46	-108.16
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=N[N-]1	REAL300010770845	1	37	-2.0	-109.70	339.55	1.45	-108.25
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CCOC)CC(=O)[O-])S1	REAL300010770904	1	40	-2.0	-106.51	360.54	1.47	-105.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300010770974	1	35	-2.0	-118.42	307.98	2.98	-115.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010770975	0	36	-2.0	-115.56	330.46	3.54	-112.02
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010770988	1	24	-2.0	-112.22	273.32	3.95	-108.27
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771348	1	30	-2.0	-114.98	305.05	3.47	-111.51
CC([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771349	1	24	-2.0	-109.39	277.65	3.67	-105.72
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C)C(=O)[O-])S1	REAL300010771356	0	27	-2.0	-108.95	296.60	2.38	-106.57
CC([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010771372	1	24	-2.0	-111.73	276.12	3.63	-108.10
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010771381	1	24	-2.0	-112.53	270.03	3.17	-109.36
CC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010771384	1	24	-2.0	-111.73	263.34	3.15	-108.58
CC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010771397	0	24	-2.0	-116.26	249.48	2.43	-113.83
CC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771401	1	26	-2.0	-106.41	282.20	3.64	-102.77
CC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010771418	1	26	-2.0	-106.44	274.56	3.14	-103.30
CC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010771419	1	24	-2.0	-111.46	258.42	3.42	-108.04
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010771444	1	33	-2.0	-113.70	323.05	4.07	-109.63
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(F)C=C1Br	REAL300010771449	1	33	-2.0	-113.65	326.55	4.16	-109.49
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771453	1	30	-2.0	-123.53	301.72	4.70	-118.83
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(Br)N1C	REAL300010771461	1	27	-2.0	-128.82	269.87	1.50	-127.32
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010771463	0	28	-2.0	-94.14	277.08	1.71	-92.43
CC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010771465	1	25	-2.0	-109.81	274.38	2.99	-106.82
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010771489	1	27	-2.0	-119.42	268.15	0.93	-118.49
CC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771490	1	26	-2.0	-116.35	269.27	4.17	-112.18
CC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771498	1	27	-2.0	-123.09	279.70	4.10	-118.99
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771499	1	38	-2.0	-102.85	352.96	0.76	-102.09
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771528	1	30	-2.0	-122.54	303.28	3.21	-119.33
CC([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010771541	1	28	-2.0	-113.06	284.65	-0.51	-113.57
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771545	1	24	-2.0	-107.92	276.55	3.74	-104.18
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771557	1	30	-2.0	-121.80	292.96	2.77	-119.03
CC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010771604	0	27	-2.0	-121.56	275.99	3.17	-118.39
CC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010771605	1	27	-2.0	-113.78	261.57	0.66	-113.12
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771623	1	28	-2.0	-126.59	277.12	2.26	-124.33
CC(NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771655	1	40	-2.0	-83.89	374.10	1.56	-82.33
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771657	0	27	-2.0	-110.43	287.28	1.39	-109.04
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010771662	0	25	-2.0	-100.33	273.16	1.81	-98.52
CC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771701	1	27	-2.0	-121.88	282.93	4.22	-117.66
CC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010771705	1	29	-2.0	-121.72	291.17	3.56	-118.16
CC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010771706	1	30	-2.0	-115.41	305.42	3.35	-112.06
CC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010771710	0	24	-2.0	-117.97	258.21	2.93	-115.04
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771711	1	26	-2.0	-113.74	269.17	1.31	-112.43
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771714	1	26	-2.0	-113.74	269.17	1.31	-112.43
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771716	1	28	-2.0	-127.94	280.02	3.00	-124.94
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010771723	1	33	-2.0	-133.90	304.70	0.98	-132.92
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771730	0	27	-2.0	-109.84	283.21	1.29	-108.55
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771731	1	28	-2.0	-122.75	279.04	3.27	-119.48
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010771737	1	21	-2.0	-107.48	253.23	2.14	-105.34
CC([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010771742	1	21	-2.0	-114.98	246.91	2.06	-112.92
CC([N-]S(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010771745	1	21	-2.0	-108.61	263.92	2.71	-105.90
CC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010771762	0	22	-2.0	-118.16	241.42	-0.17	-118.33
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771765	1	33	-2.0	-96.03	312.38	0.14	-95.89
CC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010771768	0	23	-2.0	-122.29	250.26	0.79	-121.50
CC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771784	0	23	-2.0	-114.96	256.46	1.44	-113.52
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771795	1	30	-2.0	-119.08	295.46	4.11	-114.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771796	1	30	-2.0	-138.48	280.68	3.64	-134.84
CC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010771800	0	20	-2.0	-107.90	232.34	0.44	-107.46
CC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771804	0	29	-2.0	-101.36	279.49	2.15	-99.21
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CC(=O)[O-])=C1	REAL300010773448	1	27	-2.0	-116.34	289.05	2.62	-113.72
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010773449	1	21	-2.0	-110.51	261.40	2.83	-107.68
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC(=O)[O-])S1	REAL300010773455	0	24	-2.0	-109.79	280.35	1.54	-108.25
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010773472	1	21	-2.0	-112.74	259.86	2.79	-109.95
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010773479	1	21	-2.0	-113.41	253.77	2.32	-111.09
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010773482	1	21	-2.0	-112.79	247.32	2.31	-110.48
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010773488	1	23	-2.0	-117.68	257.68	3.45	-114.23
O=C([O-])C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010773495	1	23	-2.0	-107.43	265.95	2.80	-104.63
O=C([O-])C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010773507	0	23	-2.0	-111.08	262.04	2.41	-108.67
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010773508	1	23	-2.0	-106.97	258.31	2.29	-104.68
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010773509	1	21	-2.0	-112.66	242.17	2.56	-110.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Cl	REAL300010773530	1	30	-2.0	-114.48	306.80	3.22	-111.26
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010773531	1	23	-2.0	-116.54	259.71	3.02	-113.52
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773532	0	29	-2.0	-119.34	280.39	2.69	-116.65
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Br	REAL300010773536	1	30	-2.0	-114.62	310.54	3.30	-111.32
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773540	1	27	-2.0	-126.45	289.49	3.79	-122.66
CC1=NC(S(=O)(=O)[N-]CC(=O)[O-])=C(Br)N1C	REAL300010773548	1	24	-2.0	-129.43	252.76	0.63	-128.80
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC(=O)[O-])C=C1Br	REAL300010773551	1	22	-2.0	-110.63	258.12	2.13	-108.50
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010773569	1	23	-2.0	-117.63	253.27	3.35	-114.28
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010773576	1	24	-2.0	-123.76	263.45	3.24	-120.52
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773577	1	35	-2.0	-90.77	324.87	-0.21	-90.98
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773596	1	27	-2.0	-123.04	287.28	2.35	-120.69
NC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Br	REAL300010773607	1	25	-2.0	-113.61	268.40	-1.36	-114.97
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010773611	1	21	-2.0	-109.33	260.54	2.88	-106.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773621	1	27	-2.0	-122.43	276.95	1.91	-120.52
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010773632	1	20	-2.0	-116.06	234.10	-0.15	-116.21
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010773654	0	24	-2.0	-122.37	259.73	2.33	-120.04
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773669	1	25	-2.0	-127.60	261.11	1.42	-126.18
COC(=O)C1=CC(Cl)=C(S(=O)(=O)[N-]CC(=O)[O-])C(Br)=C1	REAL300010773684	1	27	-2.0	-113.94	294.03	3.28	-110.66
O=C([O-])CNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010773695	1	37	-2.0	-83.57	354.75	0.93	-82.64
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(=O)[O-])=C1	REAL300010773696	0	24	-2.0	-110.43	270.79	0.56	-109.87
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010773699	0	22	-2.0	-94.84	244.64	1.21	-93.63
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010773721	1	24	-2.0	-122.67	266.91	3.37	-119.30
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010773725	1	26	-2.0	-122.61	274.91	2.71	-119.90
O=C([O-])C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010773726	1	27	-2.0	-116.66	289.40	2.50	-114.16
O=C([O-])C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010773729	0	21	-2.0	-119.10	241.96	2.09	-117.01
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773730	1	23	-2.0	-114.23	253.16	0.45	-113.78
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773734	1	23	-2.0	-114.23	253.16	0.45	-113.78
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773736	1	25	-2.0	-129.30	264.01	2.19	-127.11
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773745	1	25	-2.0	-124.14	262.79	2.42	-121.72
O=C([O-])C[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010773753	1	18	-2.0	-115.77	230.65	1.21	-114.56
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010773756	1	18	-2.0	-109.83	247.91	1.85	-107.98
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773770	1	30	-2.0	-91.07	292.00	-0.54	-91.61
O=C([O-])C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010773773	0	20	-2.0	-124.26	233.04	0.02	-124.24
O=C([O-])C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010773781	0	20	-2.0	-116.44	240.20	0.58	-115.86
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773788	1	27	-2.0	-121.74	279.90	3.34	-118.40
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010773792	0	17	-2.0	-108.50	216.08	-0.40	-108.90
O=C([O-])CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010773795	0	26	-2.0	-100.12	261.82	1.51	-98.61
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCC1	REAL300010773819	1	31	-2.0	-121.93	281.40	4.76	-117.17
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCC1	REAL300010773824	0	31	-2.0	-140.06	274.74	4.46	-135.60
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCC1	REAL300010773847	1	31	-2.0	-132.22	275.23	4.70	-127.52
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCC1	REAL300010773849	1	28	-2.0	-123.03	286.19	4.74	-118.29
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCCC1	REAL300010773855	1	31	-2.0	-121.87	302.95	6.37	-115.50
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCCC1	REAL300010773860	0	31	-2.0	-123.33	295.82	5.30	-118.03
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCCC1	REAL300010773862	1	31	-2.0	-122.50	295.82	5.30	-117.20
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCC1	REAL300010773863	1	31	-2.0	-121.85	281.51	4.75	-117.10
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCC1	REAL300010773876	0	31	-2.0	-130.23	277.53	4.92	-125.31
CN1C=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1Cl	REAL300010773891	1	31	-2.0	-138.96	281.83	4.09	-134.87
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010773928	1	35	-2.0	-130.00	304.57	4.55	-125.45
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1Cl	REAL300010773947	0	38	-2.0	-137.55	341.43	4.33	-133.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(Br)O1	REAL300010773952	1	34	-2.0	-118.54	321.92	4.02	-114.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)O1	REAL300010773966	1	34	-2.0	-122.71	302.86	3.38	-119.33
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010773969	0	33	-2.0	-143.94	287.34	6.09	-137.85
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCC1	REAL300010773972	1	31	-2.0	-131.81	282.96	5.46	-126.35
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCCC1	REAL300010773981	0	33	-2.0	-130.34	312.81	7.05	-123.29
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774385	1	28	-2.0	-123.20	267.70	3.32	-119.88
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCC1	REAL300010774395	1	31	-2.0	-134.05	279.37	5.33	-128.72
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCC1	REAL300010774458	1	31	-2.0	-120.20	298.49	5.69	-114.51
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCC1	REAL300010774474	0	31	-2.0	-127.11	287.29	4.47	-122.64
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCCC1	REAL300010774488	1	33	-2.0	-120.74	317.12	6.19	-114.55
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCC1	REAL300010774509	0	33	-2.0	-122.71	313.21	5.80	-116.91
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCC1	REAL300010774511	1	33	-2.0	-116.30	309.49	5.68	-110.62
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCC1	REAL300010774512	1	31	-2.0	-120.44	292.62	5.93	-114.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774519	1	34	-2.0	-100.66	304.71	0.62	-100.04
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCC1	REAL300010774540	0	31	-2.0	-128.61	285.69	5.38	-123.23
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCC1	REAL300010774548	1	31	-2.0	-131.75	285.55	5.15	-126.60
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(F)C=C1Cl	REAL300010774550	1	40	-2.0	-125.10	357.97	6.62	-118.48
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCCC1	REAL300010774551	1	33	-2.0	-119.46	313.76	6.02	-113.44
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774553	0	39	-2.0	-117.04	327.96	5.48	-111.56
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774562	1	37	-2.0	-128.85	336.66	6.53	-122.32
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(Br)N1C	REAL300010774576	1	34	-2.0	-139.87	305.04	3.97	-135.90
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCC1	REAL300010774580	0	35	-2.0	-103.25	307.78	3.69	-99.56
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774582	1	32	-2.0	-122.48	308.60	5.57	-116.91
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300010774614	1	34	-2.0	-126.09	301.95	3.44	-122.65
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCC1	REAL300010774615	1	33	-2.0	-122.11	302.03	6.49	-115.62
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300010774628	1	34	-2.0	-127.15	299.50	5.06	-122.09
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCC1	REAL300010774629	1	34	-2.0	-137.25	317.24	6.54	-130.71
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCC1	REAL300010774635	1	28	-2.0	-130.00	267.36	4.23	-125.77
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774674	1	37	-2.0	-130.59	338.47	5.76	-124.83
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCCC1	REAL300010774705	1	30	-2.0	-135.45	275.85	3.34	-132.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774714	1	37	-2.0	-130.26	328.15	5.32	-124.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)O1	REAL300010774726	1	37	-2.0	-124.04	320.76	3.97	-120.07
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCCC1	REAL300010774737	1	30	-2.0	-128.36	284.55	3.28	-125.08
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)OC=C1	REAL300010774741	0	34	-2.0	-138.81	294.75	4.02	-134.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=N1	REAL300010774745	0	33	-2.0	-148.18	291.68	3.24	-144.94
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCC1	REAL300010774753	1	31	-2.0	-126.16	277.67	2.05	-124.11
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCCC1	REAL300010774772	1	28	-2.0	-134.23	263.78	2.51	-131.72
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCC1	REAL300010774774	1	30	-2.0	-121.26	288.36	3.78	-117.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCC1	REAL300010774775	1	30	-2.0	-128.01	279.95	3.20	-124.81
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCC1	REAL300010774776	1	30	-2.0	-126.71	269.50	2.71	-124.00
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCCC1	REAL300010774792	0	34	-2.0	-134.60	314.48	5.58	-129.02
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1C(F)(F)F	REAL300010774793	1	34	-2.0	-124.11	296.26	3.15	-120.96
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010774803	0	32	-2.0	-104.83	275.45	2.75	-102.08
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774805	1	34	-2.0	-148.10	295.60	1.91	-146.19
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774826	1	35	-2.0	-140.31	315.16	4.43	-135.88
O=C([O-])C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774851	0	39	-2.0	-108.39	308.79	4.68	-103.71
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCCC1	REAL300010774861	0	28	-2.0	-129.48	263.29	3.34	-126.14
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774873	1	35	-2.0	-129.05	302.47	4.67	-124.38
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1	REAL300010774896	0	34	-2.0	-119.65	321.96	3.97	-115.68
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774900	0	34	-2.0	-115.95	298.55	4.93	-111.02
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCC1	REAL300010774903	1	34	-2.0	-141.38	292.02	3.64	-137.74
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300010774906	0	32	-2.0	-101.23	303.20	3.87	-97.36
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774937	1	28	-2.0	-123.20	267.70	3.32	-119.88
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCC1	REAL300010774964	1	31	-2.0	-120.63	287.17	3.81	-116.82
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCCC1	REAL300010774982	1	36	-2.0	-127.97	329.00	5.70	-122.27
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010774986	0	32	-2.0	-104.83	275.45	2.75	-102.08
O=C([O-])C1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCCC1	REAL300010774987	1	37	-2.0	-126.35	335.07	6.18	-120.17
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCCC1	REAL300010774993	0	31	-2.0	-131.73	292.42	5.48	-126.25
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774994	1	33	-2.0	-120.52	304.33	3.85	-116.67
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774997	1	33	-2.0	-120.52	304.33	3.85	-116.67
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774999	1	35	-2.0	-135.73	318.05	5.10	-130.63
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777165	1	31	-2.0	-109.42	293.76	0.56	-108.86
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010777221	0	32	-2.0	-118.69	297.87	4.26	-114.43
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777269	1	42	-2.0	-103.53	371.95	3.11	-100.42
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010777471	0	36	-2.0	-105.19	302.69	4.74	-100.45
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777513	0	31	-2.0	-107.83	287.43	5.18	-102.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010777518	0	29	-2.0	-103.94	291.64	4.38	-99.56
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777625	1	34	-2.0	-107.89	314.04	2.38	-105.51
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=N[N-]1	REAL300010777625	1	34	-2.0	-107.87	314.14	2.38	-105.49
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777680	1	37	-2.0	-106.67	338.58	2.51	-104.16
O=C([O-])C1CCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010777737	0	33	-2.0	-115.11	303.81	4.77	-110.34
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010777758	1	33	-2.0	-100.18	297.29	4.11	-96.07
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010777763	0	33	-2.0	-111.86	287.73	4.21	-107.65
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010777786	1	33	-2.0	-104.06	291.11	4.05	-100.01
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010777788	1	30	-2.0	-96.62	302.05	4.09	-92.53
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010777794	1	33	-2.0	-97.81	319.55	5.76	-92.05
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010777799	0	33	-2.0	-97.42	311.70	4.66	-92.76
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010777801	1	33	-2.0	-97.16	311.70	4.65	-92.51
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010777802	1	33	-2.0	-96.43	297.40	4.12	-92.31
CN1C=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1Cl	REAL300010777828	1	33	-2.0	-113.03	297.69	3.44	-109.59
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010777862	1	37	-2.0	-106.30	316.86	4.36	-101.94
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300010777891	1	36	-2.0	-99.74	318.75	2.72	-97.02
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010777894	0	35	-2.0	-117.39	305.20	5.60	-111.79
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010777897	1	33	-2.0	-107.82	298.84	4.88	-102.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010777906	0	35	-2.0	-104.14	325.75	6.60	-97.54
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010777934	1	35	-2.0	-113.68	312.91	6.13	-107.55
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010777973	1	32	-2.0	-97.63	304.36	3.07	-94.56
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(=O)N(C)C1=O	REAL300010777980	1	39	-2.0	-109.13	325.79	2.92	-106.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010777994	1	39	-2.0	-118.87	333.34	2.40	-116.47
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010778265	1	30	-2.0	-99.35	283.59	2.66	-96.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010778274	1	33	-2.0	-108.55	295.26	4.73	-103.82
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010778330	1	33	-2.0	-97.61	314.37	5.06	-92.55
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010778345	0	33	-2.0	-101.58	300.28	4.34	-97.24
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010778358	1	35	-2.0	-93.66	333.00	5.55	-88.11
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010778379	1	35	-2.0	-92.91	325.37	5.04	-87.87
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010778380	1	33	-2.0	-96.91	309.23	5.33	-91.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778387	1	36	-2.0	-92.21	315.75	-0.01	-92.22
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010778401	0	33	-2.0	-105.22	301.55	4.79	-100.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010778408	1	33	-2.0	-104.09	301.44	4.51	-99.58
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010778409	1	42	-2.0	-99.20	373.86	5.98	-93.22
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778419	1	39	-2.0	-106.83	352.52	6.61	-100.22
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(Br)N1C	REAL300010778432	1	36	-2.0	-112.92	320.68	3.42	-109.50
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010778435	1	34	-2.0	-95.77	325.18	4.90	-90.87
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010778464	1	36	-2.0	-104.70	319.20	2.82	-101.88
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010778465	1	35	-2.0	-99.56	319.23	5.99	-93.57
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010778477	1	36	-2.0	-102.12	315.38	4.40	-97.72
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010778478	1	36	-2.0	-107.43	330.51	6.00	-101.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010778484	1	30	-2.0	-102.75	287.18	3.42	-99.33
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778522	1	39	-2.0	-106.72	354.33	5.12	-101.60
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778554	1	39	-2.0	-106.18	344.01	4.68	-101.50
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300010778566	1	39	-2.0	-100.76	336.65	3.30	-97.46
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])OC=C1	REAL300010778580	0	36	-2.0	-111.63	312.59	3.28	-108.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=N1	REAL300010778584	0	35	-2.0	-116.92	307.55	2.80	-114.12
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010778592	1	33	-2.0	-101.60	294.88	1.45	-100.15
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010778610	1	30	-2.0	-109.77	279.67	1.89	-107.88
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010778612	1	32	-2.0	-97.38	304.25	3.14	-94.24
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010778613	1	32	-2.0	-100.72	296.57	2.53	-98.19
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010778614	1	32	-2.0	-99.94	286.12	2.04	-97.90
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010778629	0	36	-2.0	-107.10	326.79	5.08	-102.02
CN1N=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1C(F)(F)F	REAL300010778630	1	36	-2.0	-99.76	312.37	2.57	-97.19
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778640	1	36	-2.0	-118.64	311.48	1.47	-117.17
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778660	1	37	-2.0	-110.31	328.16	4.18	-106.13
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010778691	0	30	-2.0	-102.69	280.97	2.61	-100.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778702	1	37	-2.0	-105.92	319.19	4.56	-101.36
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300010778723	0	36	-2.0	-97.02	337.84	3.31	-93.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010778727	0	36	-2.0	-95.29	311.23	4.38	-90.91
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010778730	1	36	-2.0	-111.16	308.64	3.11	-108.05
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010778777	1	33	-2.0	-97.92	303.06	3.15	-94.77
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010778793	1	38	-2.0	-106.24	341.97	5.47	-100.77
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010778797	1	39	-2.0	-101.91	356.46	5.27	-96.64
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010778802	0	33	-2.0	-103.03	309.02	4.84	-98.19
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010778803	1	35	-2.0	-99.43	320.22	3.20	-96.23
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778807	1	37	-2.0	-111.34	331.04	4.91	-106.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010778810	1	33	-2.0	-99.70	306.74	4.54	-95.16
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010778822	1	42	-2.0	-117.27	355.26	2.93	-114.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778841	1	39	-2.0	-91.17	332.60	1.58	-89.59
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N[N-]1	REAL300010778841	1	39	-2.0	-91.17	332.78	1.59	-89.58
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300010778843	0	36	-2.0	-96.45	333.77	3.20	-93.25
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778844	1	37	-2.0	-105.24	333.34	5.14	-100.10
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010778850	1	30	-2.0	-94.20	304.29	4.03	-90.17
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778882	1	42	-2.0	-90.96	354.32	1.64	-89.32
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778905	1	39	-2.0	-103.13	346.50	5.99	-97.14
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778907	1	39	-2.0	-119.32	331.74	5.50	-113.82
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010778909	0	29	-2.0	-94.68	283.14	2.36	-92.32
CC1=CC=C([O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778913	1	37	-2.0	-99.87	304.78	2.93	-96.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779636	1	32	-2.0	-95.02	307.19	-0.18	-95.20
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCO1	REAL300010779697	0	33	-2.0	-90.60	306.29	3.06	-87.54
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010779920	0	30	-2.0	-91.85	273.81	2.11	-89.74
O=C([O-])C1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779969	0	37	-2.0	-108.11	310.43	3.06	-105.05
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780880	1	30	-2.0	-99.93	289.20	0.22	-99.71
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010780930	0	31	-2.0	-108.19	287.09	3.51	-104.68
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010780974	1	41	-2.0	-111.11	361.64	2.22	-108.89
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010781930	1	27	-2.0	-120.62	272.64	1.93	-118.69
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010781938	1	30	-2.0	-140.41	282.15	4.67	-135.74
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010781997	1	30	-2.0	-123.18	311.90	4.42	-118.76
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783244	1	30	-2.0	-128.66	291.84	3.38	-125.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010783254	1	33	-2.0	-141.52	303.50	5.42	-136.10
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010783315	1	33	-2.0	-124.37	322.63	5.74	-118.63
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010783331	0	33	-2.0	-131.70	308.53	5.03	-126.67
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783345	1	35	-2.0	-113.97	345.99	5.69	-108.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010783366	0	35	-2.0	-121.16	342.45	5.26	-115.90
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010783368	1	35	-2.0	-117.19	338.72	5.14	-112.05
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010783369	1	33	-2.0	-122.03	315.53	6.02	-116.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783376	1	36	-2.0	-106.73	336.66	0.72	-106.01
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010783397	0	33	-2.0	-132.71	309.79	5.43	-127.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010783405	1	33	-2.0	-132.00	314.51	4.66	-127.34
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010783407	1	42	-2.0	-125.23	387.20	6.07	-119.16
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010783408	1	35	-2.0	-129.77	335.00	6.41	-123.36
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783410	0	41	-2.0	-128.53	360.44	5.54	-122.99
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783419	1	39	-2.0	-135.74	364.87	7.16	-128.58
CC1=NC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010783433	1	36	-2.0	-145.88	329.17	4.02	-141.86
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010783437	0	37	-2.0	-110.40	325.44	3.97	-106.43
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010783439	1	34	-2.0	-123.06	331.48	5.67	-117.39
CC(C)C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010783471	1	36	-2.0	-132.20	325.42	3.40	-128.80
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783472	1	35	-2.0	-127.02	328.33	6.74	-120.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010783485	1	36	-2.0	-131.58	323.62	5.10	-126.48
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010783486	1	36	-2.0	-134.22	343.79	6.12	-128.10
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010783492	1	30	-2.0	-129.28	300.47	3.53	-125.75
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783532	1	39	-2.0	-135.96	367.10	5.25	-130.71
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010783563	1	32	-2.0	-137.58	305.02	2.85	-134.73
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783572	1	39	-2.0	-137.60	352.25	5.35	-132.25
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783584	1	39	-2.0	-129.65	344.92	4.02	-125.63
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010783595	1	32	-2.0	-130.08	309.42	3.30	-126.78
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])OC=C1	REAL300010783599	0	36	-2.0	-140.54	317.66	4.17	-136.37
CC(C)C[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783603	0	35	-2.0	-151.22	315.82	3.57	-147.65
CC(C)C[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010783611	1	33	-2.0	-126.76	300.21	2.12	-124.64
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010783629	1	30	-2.0	-138.52	284.87	2.72	-135.80
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010783631	1	32	-2.0	-120.76	317.42	3.24	-117.52
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010783632	1	32	-2.0	-129.68	304.82	3.23	-126.45
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010783633	1	32	-2.0	-126.63	299.48	2.14	-124.49
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010783649	0	36	-2.0	-134.27	341.17	5.13	-129.14
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010783650	1	36	-2.0	-126.27	319.75	3.17	-123.10
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010783660	0	34	-2.0	-111.59	293.14	3.04	-108.55
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783662	1	36	-2.0	-149.77	318.46	2.29	-147.48
CC(C)C[C@H]([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010783666	1	42	-2.0	-165.60	349.10	2.59	-163.01
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783683	1	37	-2.0	-138.13	336.38	4.82	-133.31
CC(C)C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010783709	0	41	-2.0	-96.77	340.26	4.11	-92.66
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010783719	0	30	-2.0	-128.22	296.59	2.65	-125.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783730	1	37	-2.0	-134.35	328.92	4.74	-129.61
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783754	0	36	-2.0	-124.47	346.11	4.02	-120.45
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010783758	0	36	-2.0	-100.42	316.37	4.58	-95.84
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010783761	1	36	-2.0	-142.97	314.95	3.90	-139.07
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010783764	0	34	-2.0	-108.62	321.38	4.38	-104.24
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783795	1	30	-2.0	-128.66	291.84	3.38	-125.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010783821	1	33	-2.0	-126.95	311.32	3.85	-123.10
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010783839	1	38	-2.0	-133.10	350.21	6.09	-127.01
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010783843	0	34	-2.0	-111.59	293.14	3.04	-108.55
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010783844	1	39	-2.0	-129.68	369.04	5.31	-124.37
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010783850	0	33	-2.0	-132.74	315.33	5.60	-127.14
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783851	1	35	-2.0	-126.05	333.57	3.31	-122.74
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783854	1	35	-2.0	-126.05	333.57	3.31	-122.74
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783856	1	37	-2.0	-140.79	337.35	5.48	-135.31
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010783859	1	33	-2.0	-129.40	314.96	5.25	-124.15
CC1=NC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010783871	1	42	-2.0	-146.66	363.39	3.59	-143.07
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783892	1	39	-2.0	-110.93	349.42	1.96	-108.97
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=N[N-]1	REAL300010783892	1	39	-2.0	-110.85	349.51	1.97	-108.88
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783894	0	36	-2.0	-123.82	342.04	3.92	-119.90
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783897	1	37	-2.0	-136.22	338.07	5.66	-130.56
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783899	1	37	-2.0	-139.41	325.44	4.21	-135.20
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010783904	1	30	-2.0	-121.42	312.54	4.74	-116.68
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783913	1	36	-2.0	-149.77	318.46	2.29	-147.48
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010783944	0	31	-2.0	-131.81	298.53	2.52	-129.29
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010783947	1	32	-2.0	-138.47	301.35	2.72	-135.75
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783952	1	42	-2.0	-107.65	370.41	2.29	-105.36
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010783956	0	32	-2.0	-137.31	306.42	3.58	-133.73
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783982	1	35	-2.0	-140.34	308.53	4.29	-136.05
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010783988	0	32	-2.0	-131.09	315.49	4.03	-127.06
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784620	1	30	-2.0	-98.32	295.10	0.34	-97.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010784670	0	31	-2.0	-102.31	294.52	3.71	-98.60
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784714	1	41	-2.0	-94.36	368.54	2.46	-91.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010784921	1	43	-2.0	-88.03	397.00	3.40	-84.63
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010784927	0	30	-2.0	-95.94	283.70	4.52	-91.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010784931	0	28	-2.0	-101.49	288.21	3.75	-97.74
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010785708	1	30	-2.0	-125.84	291.83	3.34	-122.50
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010785718	1	33	-2.0	-136.94	301.60	5.46	-131.48
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010785779	1	33	-2.0	-123.56	322.66	5.74	-117.82
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010785795	0	33	-2.0	-130.24	306.60	5.08	-125.16
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785809	1	35	-2.0	-121.90	339.31	6.30	-115.60
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010785830	0	35	-2.0	-124.18	335.39	5.92	-118.26
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010785832	1	35	-2.0	-119.30	333.65	5.73	-113.57
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010785833	1	33	-2.0	-122.03	315.54	6.02	-116.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785840	1	36	-2.0	-97.02	332.98	0.54	-96.48
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010785861	0	33	-2.0	-137.73	309.82	5.47	-132.26
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010785869	1	33	-2.0	-133.89	307.78	5.28	-128.61
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010785871	1	42	-2.0	-128.04	382.07	6.64	-121.40
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010785872	1	35	-2.0	-124.10	333.09	6.50	-117.60
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785874	0	41	-2.0	-131.00	353.39	5.94	-125.06
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785883	1	39	-2.0	-135.51	359.00	7.38	-128.13
CC1=NC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010785897	1	36	-2.0	-140.83	328.09	4.06	-136.77
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010785901	0	37	-2.0	-98.09	329.87	4.65	-93.44
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010785903	1	34	-2.0	-122.60	331.50	5.66	-116.94
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010785935	1	36	-2.0	-129.59	326.10	3.47	-126.12
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785936	1	35	-2.0	-124.51	327.18	6.81	-117.70
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010785949	1	36	-2.0	-129.72	323.66	5.10	-124.62
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010785950	1	36	-2.0	-137.22	338.79	6.66	-130.56
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010785956	1	30	-2.0	-134.32	295.46	4.12	-130.20
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010785996	1	39	-2.0	-132.98	360.70	5.88	-127.10
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787114	1	31	-2.0	-103.75	297.02	1.37	-102.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010787163	0	32	-2.0	-106.13	297.43	4.65	-101.48
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787206	1	42	-2.0	-106.09	371.14	3.38	-102.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787443	0	31	-2.0	-116.49	286.32	5.46	-111.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010787448	0	29	-2.0	-103.60	291.12	4.68	-98.92
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787555	1	34	-2.0	-107.70	314.15	2.36	-105.34
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=N[N-]1	REAL300010787555	1	34	-2.0	-107.75	314.25	2.37	-105.38
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787609	1	37	-2.0	-106.09	338.41	2.65	-103.44
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010787666	0	33	-2.0	-115.05	303.82	4.77	-110.28
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010787688	1	34	-2.0	-126.96	326.60	6.53	-120.43
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010787691	0	34	-2.0	-145.81	315.11	6.68	-139.13
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010787714	1	34	-2.0	-137.78	320.46	6.47	-131.31
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010787716	1	31	-2.0	-126.17	329.45	6.57	-119.60
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010787728	1	34	-2.0	-126.99	326.77	6.52	-120.47
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010787739	0	34	-2.0	-133.26	321.54	6.74	-126.52
CN1C=NC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300010787758	1	34	-2.0	-144.80	324.07	6.01	-138.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787790	1	38	-2.0	-136.91	344.26	6.66	-130.25
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010787823	1	37	-2.0	-125.91	346.13	5.22	-120.69
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010787826	0	36	-2.0	-150.51	329.90	7.85	-142.66
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010787862	1	36	-2.0	-147.88	339.42	8.35	-139.53
CN1C=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010787909	1	40	-2.0	-141.13	353.20	5.25	-135.88
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787924	1	40	-2.0	-152.86	360.77	4.66	-148.20
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010787950	1	36	-2.0	-137.39	344.23	8.37	-129.02
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010787991	1	37	-2.0	-138.24	338.31	6.75	-131.49
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789458	1	27	-2.0	-122.95	266.87	2.64	-120.31
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010789466	1	30	-2.0	-137.14	276.63	4.69	-132.45
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010789525	1	30	-2.0	-126.10	307.68	5.02	-121.08
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010789530	1	30	-2.0	-121.58	298.09	4.94	-116.64
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789542	1	32	-2.0	-123.43	308.66	6.19	-117.24
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010789547	0	30	-2.0	-129.43	283.97	4.19	-125.24
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789559	1	32	-2.0	-119.33	314.35	5.52	-113.81
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010789580	0	32	-2.0	-122.22	312.37	5.15	-117.07
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010789581	1	32	-2.0	-116.02	308.65	5.02	-111.00
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010789582	1	30	-2.0	-119.82	292.49	5.25	-114.57
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789588	1	33	-2.0	-97.65	310.04	-0.16	-97.81
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010789607	0	30	-2.0	-131.52	288.46	4.70	-126.82
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010789615	1	30	-2.0	-134.12	288.32	4.46	-129.66
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010789617	1	39	-2.0	-127.01	360.74	5.92	-121.09
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010789618	1	32	-2.0	-128.47	313.65	5.69	-122.78
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789620	0	38	-2.0	-130.43	330.75	5.11	-125.32
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789629	1	36	-2.0	-133.41	333.98	6.58	-126.83
CC1=NC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010789643	1	33	-2.0	-141.34	301.18	3.37	-137.97
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010789646	0	34	-2.0	-108.34	318.57	3.20	-105.14
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010789649	1	31	-2.0	-121.81	308.87	4.76	-117.05
CC(C)[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010789679	1	33	-2.0	-126.01	299.20	2.76	-123.25
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789680	1	32	-2.0	-123.22	304.22	6.10	-117.12
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010789692	1	33	-2.0	-127.51	299.10	4.27	-123.24
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010789693	1	33	-2.0	-135.96	317.39	5.91	-130.05
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789694	1	44	-2.0	-106.95	392.39	2.16	-104.79
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789734	1	36	-2.0	-130.63	335.72	5.08	-125.55
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010789755	1	34	-2.0	-120.69	316.81	1.37	-119.32
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010789766	1	29	-2.0	-138.23	278.62	2.64	-135.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789774	1	36	-2.0	-130.81	327.32	4.65	-126.16
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)O1	REAL300010789786	1	36	-2.0	-122.99	318.01	3.29	-119.70
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010789799	1	29	-2.0	-124.12	284.90	2.47	-121.65
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)OC=C1	REAL300010789803	0	33	-2.0	-140.72	298.23	3.10	-137.62
CC(C)[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789807	0	32	-2.0	-147.92	290.85	2.58	-145.34
CC(C)[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010789814	1	30	-2.0	-124.77	281.75	1.42	-123.35
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010789832	1	27	-2.0	-133.02	262.27	1.79	-131.23
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010789834	1	29	-2.0	-120.68	285.59	3.12	-117.56
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010789835	1	29	-2.0	-123.79	280.30	2.41	-121.38
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010789850	0	33	-2.0	-135.03	314.07	4.80	-130.23
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010789851	1	33	-2.0	-125.55	296.06	2.45	-123.10
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789862	1	33	-2.0	-147.24	292.83	1.23	-146.01
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789880	1	34	-2.0	-135.68	311.87	4.00	-131.68
CC(C)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010789899	0	38	-2.0	-100.60	309.24	2.91	-97.69
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010789910	0	27	-2.0	-129.72	267.85	2.55	-127.17
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789921	1	34	-2.0	-134.69	298.91	4.57	-130.12
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789941	0	33	-2.0	-118.46	319.19	3.30	-115.16
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010789946	0	33	-2.0	-102.57	303.74	4.18	-98.39
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010789949	1	33	-2.0	-139.99	290.00	2.96	-137.03
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010789951	0	31	-2.0	-105.99	307.26	3.19	-102.80
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789979	1	27	-2.0	-122.95	266.87	2.64	-120.31
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010790683	1	27	-2.0	-121.92	296.46	4.93	-116.99
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010790692	1	27	-2.0	-123.04	288.42	4.54	-118.50
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010790696	1	27	-2.0	-121.21	283.92	4.46	-116.75
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010790706	0	27	-2.0	-127.52	267.90	3.80	-123.72
CC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790717	1	29	-2.0	-120.97	302.54	4.95	-116.02
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010790736	1	29	-2.0	-115.44	292.96	4.51	-110.93
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010790737	1	27	-2.0	-119.62	276.84	4.74	-114.88
CC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010790743	1	30	-2.0	-96.74	297.75	-0.59	-97.33
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010790757	0	27	-2.0	-128.39	269.18	4.22	-124.17
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010790765	1	36	-2.0	-123.99	341.44	5.44	-118.55
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010790774	1	33	-2.0	-132.96	320.24	6.08	-126.88
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010790784	1	30	-2.0	-142.73	290.52	2.75	-139.98
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010790786	0	31	-2.0	-105.77	299.29	2.68	-103.09
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010790788	1	28	-2.0	-121.17	294.70	4.30	-116.87
CC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010790815	1	30	-2.0	-125.87	285.46	2.26	-123.61
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790816	1	29	-2.0	-122.83	289.14	5.54	-117.29
CC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010790826	1	30	-2.0	-126.80	284.94	3.81	-122.99
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010790827	1	30	-2.0	-134.24	300.06	5.37	-128.87
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010790828	1	41	-2.0	-99.06	374.68	1.56	-97.50
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790863	1	33	-2.0	-130.26	321.97	4.58	-125.68
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010790876	1	31	-2.0	-120.53	303.05	0.87	-119.66
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790882	1	27	-2.0	-120.91	297.15	5.04	-115.87
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790895	1	33	-2.0	-129.84	311.65	4.14	-125.70
CC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010790903	1	33	-2.0	-122.68	304.27	2.78	-119.90
CC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010790926	1	27	-2.0	-123.22	264.40	0.88	-122.34
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010790943	1	24	-2.0	-131.15	246.17	1.39	-129.76
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010790945	1	26	-2.0	-120.66	271.86	2.62	-118.04
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010790957	0	30	-2.0	-134.34	299.91	4.34	-130.00
CC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010790958	1	30	-2.0	-123.82	279.97	2.05	-121.77
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010790985	1	31	-2.0	-133.68	295.79	3.57	-130.11
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1	REAL300010791625	1	30	-2.0	-115.58	305.54	3.44	-112.14
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791626	1	24	-2.0	-109.30	277.66	3.68	-105.62
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])S1	REAL300010791633	0	27	-2.0	-108.98	296.60	2.38	-106.60
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010791651	1	24	-2.0	-111.33	276.12	3.64	-107.69
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010791660	1	24	-2.0	-112.58	270.24	3.15	-109.43
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010791663	1	24	-2.0	-111.38	263.58	3.16	-108.22
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791672	1	26	-2.0	-115.48	276.71	4.25	-111.23
C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010791677	0	24	-2.0	-116.66	249.72	2.41	-114.25
C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791681	1	26	-2.0	-106.56	282.20	3.64	-102.92
C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010791698	0	26	-2.0	-110.14	278.28	3.27	-106.87
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010791699	1	26	-2.0	-106.39	274.78	3.12	-103.27
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010791700	1	24	-2.0	-111.46	258.42	3.42	-108.04
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010791728	1	33	-2.0	-113.73	323.27	4.04	-109.69
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010791729	1	26	-2.0	-115.60	276.18	3.85	-111.75
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010791730	0	32	-2.0	-117.73	296.20	3.54	-114.19
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010791735	1	33	-2.0	-113.84	327.01	4.13	-109.71
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010791739	1	30	-2.0	-125.71	302.06	4.74	-120.97
CC1=NC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(Br)N1C	REAL300010791748	1	27	-2.0	-127.87	269.01	1.48	-126.39
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010791750	0	28	-2.0	-96.13	264.55	1.75	-94.38
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010791752	1	25	-2.0	-109.52	274.35	2.99	-106.53
C[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010791777	1	27	-2.0	-119.38	267.29	0.85	-118.53
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791778	1	26	-2.0	-115.34	272.30	4.16	-111.18
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791786	1	27	-2.0	-122.91	279.70	4.09	-118.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791787	1	38	-2.0	-91.00	338.85	0.27	-90.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791816	1	30	-2.0	-121.89	303.55	3.21	-118.68
C[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010791829	1	28	-2.0	-112.37	284.63	-0.50	-112.87
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791833	1	24	-2.0	-108.13	276.80	3.73	-104.40
C[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010791839	1	23	-2.0	-126.08	241.17	0.79	-125.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791846	1	30	-2.0	-121.66	293.47	2.75	-118.91
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010791863	1	23	-2.0	-115.20	250.62	0.69	-114.51
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010791894	0	27	-2.0	-123.84	279.80	2.98	-120.86
C[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010791895	1	27	-2.0	-113.55	261.55	0.67	-112.88
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791913	1	28	-2.0	-127.04	277.57	2.24	-124.80
C[C@@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791945	1	40	-2.0	-84.97	372.48	1.46	-83.51
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1	REAL300010791947	0	27	-2.0	-109.68	287.04	1.41	-108.27
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010791952	0	25	-2.0	-95.36	258.77	1.79	-93.57
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791991	1	27	-2.0	-121.73	283.17	4.22	-117.51
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010791995	1	29	-2.0	-122.06	291.41	3.53	-118.53
C[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010791996	1	30	-2.0	-116.18	301.09	3.59	-112.59
C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010792000	0	24	-2.0	-118.33	258.46	2.91	-115.42
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792492	1	30	-2.0	-115.20	305.30	3.46	-111.74
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792493	1	24	-2.0	-109.35	277.64	3.68	-105.67
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])S1	REAL300010792500	0	27	-2.0	-109.01	296.60	2.38	-106.63
C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010792518	1	24	-2.0	-111.71	276.12	3.63	-108.08
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010792527	1	24	-2.0	-112.56	270.03	3.17	-109.39
C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010792530	1	24	-2.0	-111.74	263.34	3.15	-108.59
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792539	1	26	-2.0	-116.39	273.66	4.30	-112.09
C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010792544	0	24	-2.0	-116.27	249.48	2.43	-113.84
C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792548	1	26	-2.0	-106.40	282.20	3.64	-102.76
C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010792565	0	26	-2.0	-110.14	278.06	3.26	-106.88
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010792566	1	26	-2.0	-106.24	274.33	3.14	-103.10
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010792567	1	24	-2.0	-111.47	258.42	3.42	-108.05
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010792595	1	33	-2.0	-113.69	323.05	4.08	-109.61
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010792596	1	26	-2.0	-115.11	275.96	3.88	-111.23
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792597	0	32	-2.0	-117.85	296.45	3.47	-114.38
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010792602	1	33	-2.0	-113.80	326.79	4.15	-109.65
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792606	1	30	-2.0	-124.48	306.10	4.56	-119.92
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(Br)N1C	REAL300010792615	1	27	-2.0	-130.31	270.17	1.42	-128.89
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010792617	0	28	-2.0	-101.47	279.58	1.76	-99.71
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010792619	1	25	-2.0	-109.64	274.12	3.00	-106.64
C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010792644	1	27	-2.0	-119.61	268.39	0.91	-118.70
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792645	1	26	-2.0	-116.33	269.28	4.17	-112.16
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792653	1	27	-2.0	-122.91	279.47	4.09	-118.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792654	1	38	-2.0	-102.91	353.11	0.75	-102.16
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792683	1	30	-2.0	-122.54	303.28	3.21	-119.33
C[C@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010792696	1	28	-2.0	-113.11	284.65	-0.51	-113.62
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792700	1	24	-2.0	-108.16	276.80	3.72	-104.44
C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010792706	1	23	-2.0	-126.20	240.93	0.81	-125.39
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792713	1	30	-2.0	-121.78	292.96	2.77	-119.01
C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010792730	1	23	-2.0	-115.50	250.37	0.70	-114.80
C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010792761	0	27	-2.0	-123.49	279.57	3.00	-120.49
C[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010792762	1	27	-2.0	-113.79	261.54	0.66	-113.13
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792780	1	28	-2.0	-126.69	277.35	2.27	-124.42
C[C@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792812	1	40	-2.0	-87.76	374.21	1.55	-86.21
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792814	0	27	-2.0	-110.07	287.04	1.42	-108.65
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010792819	0	25	-2.0	-100.27	273.27	1.79	-98.48
C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792858	1	27	-2.0	-122.02	283.19	4.22	-117.80
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010792862	1	29	-2.0	-121.39	290.93	3.57	-117.82
C[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010792863	1	30	-2.0	-117.10	305.28	3.27	-113.83
C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010792867	0	24	-2.0	-117.94	258.21	2.93	-115.01
C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792868	1	26	-2.0	-113.72	269.17	1.31	-112.41
C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792871	1	26	-2.0	-113.72	269.17	1.31	-112.41
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792873	1	28	-2.0	-127.91	280.01	3.01	-124.90
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010792880	1	33	-2.0	-133.76	304.21	1.01	-132.75
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792887	0	27	-2.0	-109.51	282.96	1.31	-108.20
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792888	1	28	-2.0	-120.44	282.32	3.29	-117.15
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010792894	1	21	-2.0	-108.03	253.72	2.11	-105.92
C[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010792899	1	21	-2.0	-114.97	246.91	2.06	-112.91
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010792902	1	21	-2.0	-109.11	264.40	2.68	-106.43
C[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010792919	0	22	-2.0	-118.53	241.66	-0.18	-118.71
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792922	1	33	-2.0	-95.95	311.22	0.17	-95.78
C[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010792925	0	23	-2.0	-123.52	249.54	0.86	-122.66
C[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792941	0	23	-2.0	-116.02	256.69	1.42	-114.60
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792952	1	30	-2.0	-120.21	295.93	4.14	-116.07
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792953	1	30	-2.0	-137.02	277.64	3.67	-133.35
C[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010792957	0	20	-2.0	-107.96	232.35	0.44	-107.52
C[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792961	0	29	-2.0	-101.65	279.78	2.15	-99.50
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010792985	1	33	-2.0	-127.73	297.52	4.66	-123.07
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010792990	0	33	-2.0	-145.35	290.34	4.69	-140.66
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010793552	1	30	-2.0	-128.43	286.24	3.15	-125.28
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010793562	1	33	-2.0	-141.40	297.90	5.21	-136.19
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010793623	1	33	-2.0	-123.92	317.04	5.53	-118.39
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010793639	0	33	-2.0	-131.68	302.91	4.82	-126.86
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793653	1	35	-2.0	-111.59	340.56	5.45	-106.14
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010793674	0	35	-2.0	-124.59	331.71	5.66	-118.93
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010793676	1	35	-2.0	-119.75	328.01	5.54	-114.21
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010793677	1	33	-2.0	-123.41	311.87	5.76	-117.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010793684	1	36	-2.0	-107.32	329.08	0.52	-106.80
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010793705	0	33	-2.0	-137.56	304.20	5.26	-132.30
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010793713	1	33	-2.0	-135.60	304.06	5.01	-130.59
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC)=C(F)C=C1Cl	REAL300010793715	1	42	-2.0	-121.84	381.40	5.87	-115.97
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010793716	1	35	-2.0	-129.22	329.40	6.23	-122.99
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793718	0	41	-2.0	-129.66	347.31	5.99	-123.67
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010793727	1	39	-2.0	-135.96	352.85	7.15	-128.81
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010793741	1	36	-2.0	-138.85	327.37	3.29	-135.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010793745	0	37	-2.0	-111.32	319.64	4.12	-107.20
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010793747	1	34	-2.0	-124.27	327.82	5.39	-118.88
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010793779	1	36	-2.0	-129.81	317.07	3.22	-126.59
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793780	1	35	-2.0	-121.06	329.73	6.06	-115.00
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010793793	1	36	-2.0	-125.24	322.94	4.30	-120.94
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010793794	1	36	-2.0	-131.39	338.07	5.89	-125.50
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010793800	1	30	-2.0	-134.41	289.83	3.90	-130.51
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793840	1	39	-2.0	-137.88	356.99	5.61	-132.27
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010793871	1	32	-2.0	-141.25	294.37	3.23	-138.02
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793880	1	39	-2.0	-135.47	344.26	5.21	-130.26
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010793892	1	39	-2.0	-127.94	336.88	3.86	-124.08
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010793903	1	32	-2.0	-124.63	308.72	2.52	-122.11
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010793907	0	36	-2.0	-135.59	320.15	3.23	-132.36
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793911	0	35	-2.0	-142.07	315.12	2.75	-139.32
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010793919	1	33	-2.0	-127.64	296.85	1.89	-125.75
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010793937	1	30	-2.0	-133.24	286.12	1.85	-131.39
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010793939	1	32	-2.0	-121.41	304.48	3.68	-117.73
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010793940	1	32	-2.0	-129.28	299.23	3.02	-126.26
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010793941	1	32	-2.0	-127.96	288.76	2.53	-125.43
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010793957	0	36	-2.0	-137.14	329.44	5.58	-131.56
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010793958	1	36	-2.0	-124.14	311.48	3.02	-121.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010793968	0	34	-2.0	-112.47	286.98	3.19	-109.28
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010793970	1	36	-2.0	-149.83	312.86	2.10	-147.73
CC[C@H](C)[C@H]([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010793974	1	42	-2.0	-164.91	343.00	2.38	-162.53
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010793991	1	37	-2.0	-137.24	335.72	4.08	-133.16
CCCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010794922	1	30	-2.0	-123.79	294.21	3.68	-120.11
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010794932	1	33	-2.0	-136.18	305.88	5.72	-130.46
CCCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010794993	1	33	-2.0	-119.59	331.70	5.42	-114.17
CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796254	1	27	-2.0	-123.33	272.71	2.90	-120.43
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010796262	1	30	-2.0	-135.46	284.38	4.94	-130.52
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010796321	1	30	-2.0	-126.39	311.88	5.26	-121.13
CCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010796326	1	30	-2.0	-123.11	305.43	5.22	-117.89
CCCC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796338	1	32	-2.0	-125.52	316.99	6.33	-119.19
CCCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010796343	0	30	-2.0	-128.70	289.39	4.57	-124.13
CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796355	1	32	-2.0	-117.13	324.05	5.72	-111.41
CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010796376	0	32	-2.0	-123.25	320.15	5.35	-117.90
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010796377	1	32	-2.0	-113.77	321.26	4.64	-109.13
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010796378	1	30	-2.0	-122.43	300.27	5.46	-116.97
CCCC(NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010796384	1	33	-2.0	-105.88	319.45	0.21	-105.67
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010796403	0	30	-2.0	-133.92	297.74	4.38	-129.54
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010796411	1	30	-2.0	-133.84	292.49	4.69	-129.15
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010796413	1	39	-2.0	-121.39	369.74	5.57	-115.82
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010796414	1	32	-2.0	-128.43	317.81	5.92	-122.51
CCCC([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010796416	0	38	-2.0	-130.23	338.07	5.64	-124.59
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796425	1	36	-2.0	-136.31	343.66	6.79	-129.52
CCCC([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010796439	1	33	-2.0	-142.62	309.79	3.68	-138.94
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010796442	0	34	-2.0	-109.75	309.49	4.15	-105.60
CCCC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010796445	1	31	-2.0	-117.21	320.72	4.50	-112.71
CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010796475	1	33	-2.0	-128.29	309.04	2.98	-125.31
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796476	1	32	-2.0	-125.30	312.57	6.23	-119.07
CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010796488	1	33	-2.0	-128.11	306.42	4.58	-123.53
CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796489	1	33	-2.0	-135.67	321.55	6.15	-129.52
CCCC(NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010796490	1	44	-2.0	-97.52	396.11	2.32	-95.20
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796530	1	36	-2.0	-132.16	349.88	4.72	-127.44
CCCC([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010796551	1	34	-2.0	-121.27	331.35	1.00	-120.27
CCCC([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010796562	1	29	-2.0	-137.57	279.57	3.11	-134.46
CCCC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796570	1	36	-2.0	-131.28	339.55	4.28	-127.00
CCCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010796582	1	36	-2.0	-125.07	327.70	3.50	-121.57
CCCC([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010796595	1	29	-2.0	-124.84	292.22	2.79	-122.05
CCCC([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010796599	0	33	-2.0	-142.56	304.58	3.12	-139.44
CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796603	0	32	-2.0	-140.94	303.40	2.43	-138.51
CCCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010796610	1	30	-2.0	-126.94	285.23	1.57	-125.37
CCCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010796628	1	27	-2.0	-137.06	267.65	2.20	-134.86
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010796630	1	29	-2.0	-123.24	295.29	3.32	-119.92
CCCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010796631	1	29	-2.0	-124.49	287.62	2.71	-121.78
CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010796646	0	33	-2.0	-135.67	321.40	5.11	-130.56
CCCC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010796647	1	33	-2.0	-125.09	301.48	2.82	-122.27
CCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796658	1	33	-2.0	-148.17	301.23	1.81	-146.36
CCCC([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010796676	1	34	-2.0	-142.45	319.21	4.33	-138.12
CCCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010796695	0	38	-2.0	-95.87	322.55	3.60	-92.27
CCCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010796706	0	27	-2.0	-127.63	270.92	2.83	-124.80
CCCC([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010796717	1	34	-2.0	-128.68	315.06	4.19	-124.49
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010796737	0	33	-2.0	-119.45	326.95	3.57	-115.88
CCCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010796742	0	33	-2.0	-99.71	299.15	4.06	-95.65
CCCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010796745	1	33	-2.0	-135.92	304.55	2.76	-133.16
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010796747	0	31	-2.0	-104.42	314.83	3.51	-100.91
CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796775	1	27	-2.0	-123.33	272.71	2.90	-120.43
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010796799	1	30	-2.0	-120.70	292.18	3.40	-117.30
CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796812	1	33	-2.0	-131.78	323.09	6.33	-125.45
CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010796816	1	35	-2.0	-131.53	331.09	5.65	-125.88
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010796820	1	36	-2.0	-130.07	347.50	5.45	-124.62
CCCC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010796826	0	30	-2.0	-132.68	300.06	5.00	-127.68
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796827	1	32	-2.0	-122.38	311.26	3.39	-118.99
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796830	1	32	-2.0	-122.38	311.26	3.39	-118.99
CCCC([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010796833	1	34	-2.0	-141.51	327.22	4.54	-136.97
CCCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010796836	1	30	-2.0	-127.94	297.77	4.73	-123.21
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010796845	1	39	-2.0	-142.64	350.80	2.50	-140.14
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010796863	1	36	-2.0	-100.33	331.32	1.59	-98.74
CCCC(NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796863	1	36	-2.0	-100.40	331.54	1.59	-98.81
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010796865	0	33	-2.0	-118.58	322.88	3.47	-115.11
CCCC([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010796868	1	34	-2.0	-127.44	329.21	4.78	-122.66
CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010796870	1	34	-2.0	-137.87	308.24	3.69	-134.18
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010796875	1	27	-2.0	-114.62	300.12	3.62	-111.00
CCCC([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010796881	1	27	-2.0	-129.61	288.75	4.16	-125.45
CCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796884	1	33	-2.0	-148.17	301.23	1.81	-146.36
CCCC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010796911	0	28	-2.0	-130.29	281.34	2.00	-128.29
CCCC(NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010796918	1	39	-2.0	-101.16	355.58	1.65	-99.51
CCCC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010796922	0	29	-2.0	-130.89	296.90	2.28	-128.61
CCCC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796945	1	32	-2.0	-139.06	291.32	3.78	-135.28
CCCC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010796949	0	29	-2.0	-123.52	296.35	3.53	-119.99
CCCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796961	1	36	-2.0	-133.79	337.99	6.24	-127.55
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796963	1	36	-2.0	-145.88	326.81	5.16	-140.72
CCCC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010796969	0	26	-2.0	-116.68	272.26	2.58	-114.10
CCCC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010796977	0	35	-2.0	-111.72	323.15	3.80	-107.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797701	1	34	-2.0	-107.60	301.92	2.08	-105.52
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010797762	0	35	-2.0	-108.88	307.95	5.23	-103.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010797985	0	32	-2.0	-111.13	275.63	4.29	-106.84
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800230	1	27	-2.0	-120.63	272.64	1.93	-118.70
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010800238	1	30	-2.0	-134.78	278.55	4.68	-130.10
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010800297	1	30	-2.0	-125.68	304.92	4.93	-120.75
CC(C)C([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010800302	1	30	-2.0	-118.20	305.33	4.41	-113.79
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800314	1	32	-2.0	-119.81	312.94	5.47	-114.34
CC(C)C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010800319	0	30	-2.0	-130.64	287.16	4.27	-126.37
CC(C)C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800331	1	32	-2.0	-117.27	319.89	5.50	-111.77
CC(C)C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010800352	0	32	-2.0	-122.46	313.18	5.02	-117.44
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010800353	1	32	-2.0	-119.01	312.25	5.00	-114.01
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010800354	1	30	-2.0	-119.81	292.50	5.25	-114.56
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800360	1	33	-2.0	-96.65	313.41	-0.08	-96.73
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010800379	0	30	-2.0	-131.54	288.43	4.71	-126.83
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010800387	1	30	-2.0	-130.99	291.89	3.88	-127.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010800389	1	39	-2.0	-119.83	362.90	5.25	-114.58
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010800390	1	32	-2.0	-124.83	308.10	5.70	-119.13
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800392	0	38	-2.0	-126.81	338.26	4.78	-122.03
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800401	1	36	-2.0	-136.21	339.50	6.57	-129.64
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010800415	1	33	-2.0	-139.42	307.56	3.34	-136.08
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010800418	0	34	-2.0	-108.34	318.57	3.20	-105.14
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010800421	1	31	-2.0	-115.98	314.22	4.16	-111.82
CC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010800451	1	33	-2.0	-129.47	310.07	2.18	-127.29
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800452	1	32	-2.0	-119.58	308.46	5.38	-114.20
CC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010800464	1	33	-2.0	-130.59	302.27	4.35	-126.24
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800465	1	33	-2.0	-132.75	311.86	5.94	-126.81
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800466	1	44	-2.0	-97.65	387.49	2.04	-95.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800506	1	36	-2.0	-130.11	343.24	4.39	-125.72
CC(C)C([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010800527	1	34	-2.0	-125.00	319.54	1.25	-123.75
CC(C)C([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010800538	1	29	-2.0	-135.18	273.09	2.65	-132.53
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800546	1	36	-2.0	-135.13	328.09	4.53	-130.60
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)O1	REAL300010800558	1	36	-2.0	-127.51	320.75	3.17	-124.34
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010800571	1	29	-2.0	-125.12	288.06	2.56	-122.56
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)OC=C1	REAL300010800575	0	33	-2.0	-140.39	295.87	3.04	-137.35
CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800579	0	32	-2.0	-147.16	288.91	2.56	-144.60
CC(C)C([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010800586	1	30	-2.0	-122.28	283.94	0.73	-121.55
CC(C)C([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010800604	1	27	-2.0	-134.09	265.42	1.87	-132.22
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010800606	1	29	-2.0	-123.53	291.13	3.10	-120.43
CC(C)C([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010800607	1	29	-2.0	-122.28	277.93	2.50	-119.78
CC(C)C([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010800622	0	33	-2.0	-128.85	315.85	4.36	-124.49
CC(C)C([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010800623	1	33	-2.0	-125.06	298.43	2.45	-122.61
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800634	1	33	-2.0	-142.16	301.15	0.95	-141.21
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800652	1	34	-2.0	-136.79	315.03	4.07	-132.72
CC(C)C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010800671	0	38	-2.0	-97.14	314.37	3.21	-93.93
CC(C)C([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010800682	0	27	-2.0	-126.88	262.32	2.56	-124.32
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800693	1	34	-2.0	-137.69	306.07	4.54	-133.15
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1	REAL300010800713	0	33	-2.0	-120.47	328.89	2.66	-117.81
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010800718	0	33	-2.0	-102.42	303.21	4.16	-98.26
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010800721	1	33	-2.0	-140.52	291.93	2.98	-137.54
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010800723	0	31	-2.0	-97.11	311.78	3.25	-93.86
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800751	1	27	-2.0	-120.63	272.64	1.93	-118.70
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010800775	1	30	-2.0	-122.90	294.11	2.50	-120.40
CC(C)C([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800788	1	33	-2.0	-130.39	315.33	6.05	-124.34
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010800792	1	35	-2.0	-133.37	328.86	5.36	-128.01
CC(C)C([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010800796	1	36	-2.0	-122.09	345.53	4.53	-117.56
CC(C)C([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010800802	0	30	-2.0	-130.04	290.37	4.79	-125.25
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800803	1	32	-2.0	-121.60	303.92	3.07	-118.53
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800806	1	32	-2.0	-121.60	303.92	3.07	-118.53
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800809	1	34	-2.0	-138.67	314.32	4.71	-133.96
CC(C)C([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010800812	1	30	-2.0	-125.67	297.77	3.89	-121.78
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010800821	1	39	-2.0	-145.73	342.14	2.87	-142.86
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800839	1	36	-2.0	-113.14	324.88	1.51	-111.63
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=N[N-]1	REAL300010800839	1	36	-2.0	-113.16	325.06	1.51	-111.65
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1	REAL300010800841	0	33	-2.0	-119.87	324.82	2.56	-117.31
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800844	1	34	-2.0	-137.29	320.22	5.13	-132.16
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800846	1	34	-2.0	-138.81	304.09	3.44	-135.37
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010800851	1	27	-2.0	-121.19	291.16	3.99	-117.20
CC(C)C([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010800857	1	27	-2.0	-121.29	286.76	3.23	-118.06
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800860	1	33	-2.0	-142.16	301.15	0.95	-141.21
CC(C)C([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010800887	0	28	-2.0	-130.97	276.31	1.61	-129.36
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800894	1	39	-2.0	-98.17	350.47	1.48	-96.69
CC(C)C([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010800898	0	29	-2.0	-138.71	287.95	2.64	-136.07
CC(C)C([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800921	1	32	-2.0	-138.60	285.51	3.51	-135.09
CC(C)C([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010800925	0	29	-2.0	-122.38	296.30	2.62	-119.76
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800937	1	36	-2.0	-130.18	333.19	5.23	-124.95
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800939	1	36	-2.0	-146.12	322.62	4.89	-141.23
CC(C)C([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010800945	0	26	-2.0	-115.25	264.49	2.30	-112.95
CC(C)C(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010800953	0	35	-2.0	-116.97	317.59	3.52	-113.45
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010802161	1	30	-2.0	-95.20	302.05	2.89	-92.31
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010802171	1	33	-2.0	-104.39	313.72	4.98	-99.41
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010802232	1	33	-2.0	-93.43	332.84	5.30	-88.13
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010802248	0	33	-2.0	-97.40	318.76	4.58	-92.82
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010802262	1	35	-2.0	-90.01	351.47	5.78	-84.23
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010802283	0	35	-2.0	-92.26	347.56	5.40	-86.86
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010802285	1	35	-2.0	-89.03	343.83	5.28	-83.75
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010802286	1	33	-2.0	-92.96	327.69	5.55	-87.41
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802293	1	36	-2.0	-91.97	341.57	0.91	-91.06
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010802314	0	33	-2.0	-101.12	320.04	5.03	-96.09
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010802322	1	33	-2.0	-99.96	319.90	4.75	-95.21
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010802324	1	42	-2.0	-95.01	392.32	6.21	-88.80
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010802325	1	35	-2.0	-96.64	345.23	6.01	-90.63
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802327	0	41	-2.0	-99.03	365.91	5.69	-93.34
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802336	1	39	-2.0	-103.20	375.01	6.78	-96.42
CC1=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(Br)N1C	REAL300010802350	1	36	-2.0	-108.29	338.28	3.62	-104.67
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010802354	0	37	-2.0	-88.14	337.44	4.15	-83.99
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C=C1Br	REAL300010802356	1	34	-2.0	-91.95	343.64	5.13	-86.82
CN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010802388	1	36	-2.0	-100.32	336.31	3.02	-97.30
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010802389	1	35	-2.0	-95.69	338.79	6.34	-89.35
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010802402	1	36	-2.0	-97.53	333.84	4.64	-92.89
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010802403	1	36	-2.0	-102.53	348.97	6.23	-96.30
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010802409	1	30	-2.0	-99.04	305.65	3.64	-95.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802449	1	39	-2.0	-101.91	372.80	5.35	-96.56
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010802480	1	32	-2.0	-105.07	310.19	2.96	-102.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802489	1	39	-2.0	-101.47	362.47	4.91	-96.56
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])O1	REAL300010802501	1	39	-2.0	-96.37	355.11	3.55	-92.82
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010802512	1	32	-2.0	-96.43	319.64	2.85	-93.58
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])OC=C1	REAL300010802516	0	36	-2.0	-107.50	331.05	3.56	-103.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCC(=O)[O-])=N1	REAL300010802520	0	35	-2.0	-112.74	326.02	3.08	-109.66
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010802528	1	33	-2.0	-97.41	313.34	1.70	-95.71
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010802546	1	30	-2.0	-105.02	298.13	2.11	-102.91
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010802548	1	32	-2.0	-93.28	322.71	3.38	-89.90
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010802549	1	32	-2.0	-96.27	315.04	2.78	-93.49
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010802550	1	32	-2.0	-95.69	304.59	2.28	-93.41
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010802566	0	36	-2.0	-102.12	345.25	5.32	-96.80
CN1N=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010802567	1	36	-2.0	-95.78	330.81	2.81	-92.97
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010802577	0	34	-2.0	-89.35	304.79	3.21	-86.14
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802579	1	36	-2.0	-114.35	329.95	1.75	-112.60
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802600	1	37	-2.0	-106.02	346.63	4.41	-101.61
O=C([O-])CCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010802626	0	41	-2.0	-99.68	345.41	4.24	-95.44
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010802636	0	30	-2.0	-98.39	299.43	2.85	-95.54
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802647	1	37	-2.0	-102.72	334.10	4.85	-97.87
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1	REAL300010802671	0	36	-2.0	-92.79	356.31	3.55	-89.24
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010802675	0	36	-2.0	-97.15	326.59	4.85	-92.30
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010802678	1	36	-2.0	-107.08	327.10	3.40	-103.68
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010802681	0	34	-2.0	-87.42	331.19	4.21	-83.21
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010802712	1	30	-2.0	-95.20	302.05	2.89	-92.31
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010802738	1	33	-2.0	-93.80	321.52	3.39	-90.41
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010802756	1	38	-2.0	-101.42	360.43	5.70	-95.72
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010802760	0	34	-2.0	-89.35	304.79	3.21	-86.14
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010802761	1	39	-2.0	-97.89	374.92	5.49	-92.40
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010802767	0	33	-2.0	-98.83	327.48	5.08	-93.75
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802768	1	35	-2.0	-95.05	338.68	3.45	-91.60
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802771	1	35	-2.0	-95.05	338.68	3.45	-91.60
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802773	1	37	-2.0	-107.09	349.53	5.18	-101.91
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010802776	1	33	-2.0	-95.48	325.21	4.78	-90.70
CC1=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010802788	1	42	-2.0	-111.76	373.72	3.15	-108.61
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=N[N-]1	REAL300010802809	1	39	-2.0	-90.94	354.72	2.25	-88.69
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1	REAL300010802811	0	36	-2.0	-92.35	352.23	3.45	-88.90
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802814	1	37	-2.0	-101.93	348.31	5.41	-96.52
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(F)=C1	REAL300010802816	1	37	-2.0	-103.26	335.66	3.76	-99.50
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010802821	1	30	-2.0	-90.33	322.74	4.28	-86.05
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802830	1	36	-2.0	-114.35	329.95	1.75	-112.60
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010802861	0	31	-2.0	-99.69	310.68	2.00	-97.69
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010802864	1	32	-2.0	-105.82	306.53	2.84	-102.98
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802869	1	42	-2.0	-92.46	378.54	2.46	-90.00
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010802873	0	32	-2.0	-103.54	318.56	3.02	-100.52
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010802899	1	35	-2.0	-107.10	322.94	3.48	-103.62
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010802905	0	32	-2.0	-96.74	325.72	3.57	-93.17
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802919	1	39	-2.0	-99.60	365.42	6.32	-93.28
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802921	1	39	-2.0	-115.24	350.26	5.79	-109.45
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010802927	0	29	-2.0	-90.69	301.60	2.60	-88.09
CC1=CC=C([O-])C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802939	1	37	-2.0	-95.52	319.80	3.81	-91.71
O=C([O-])CCCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010802940	0	38	-2.0	-94.00	348.36	4.51	-89.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010803463	0	28	-2.0	-104.15	273.16	3.22	-100.93
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010803500	1	38	-2.0	-96.25	347.49	1.97	-94.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010803658	1	40	-2.0	-91.17	375.95	2.93	-88.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010803665	0	25	-2.0	-102.79	267.16	3.28	-99.51
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803768	1	33	-2.0	-96.41	313.87	1.44	-94.97
CN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010803807	0	29	-2.0	-114.18	280.53	3.51	-110.67
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804530	1	32	-2.0	-105.91	293.50	-0.44	-106.35
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010804591	0	33	-2.0	-100.87	293.06	2.73	-98.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010804814	0	30	-2.0	-102.92	260.40	1.77	-101.15
O=C([O-])C1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804863	0	37	-2.0	-106.79	293.17	2.64	-104.15
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804912	0	32	-2.0	-119.33	282.72	3.61	-115.72
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010804918	0	30	-2.0	-97.67	286.90	2.77	-94.90
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010804997	0	30	-2.0	-102.92	260.40	1.77	-101.15
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805847	1	31	-2.0	-103.48	296.95	1.37	-102.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010805903	0	32	-2.0	-118.67	297.92	4.26	-114.41
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805951	1	42	-2.0	-111.82	368.88	2.61	-109.21
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807143	1	34	-2.0	-92.44	318.62	0.96	-91.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010807204	0	35	-2.0	-91.30	318.93	4.25	-87.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010807427	0	32	-2.0	-92.55	286.60	3.31	-89.24
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010807475	0	39	-2.0	-100.38	326.15	4.30	-96.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010807524	0	34	-2.0	-103.55	306.89	5.04	-98.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010807530	0	32	-2.0	-99.21	311.36	4.25	-94.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010807610	0	32	-2.0	-92.55	286.60	3.31	-89.24
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807659	1	37	-2.0	-94.90	333.43	2.25	-92.65
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N[N-]1	REAL300010807659	1	37	-2.0	-94.78	333.53	2.25	-92.53
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807719	1	40	-2.0	-94.77	359.46	2.45	-92.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010807786	0	36	-2.0	-97.89	325.19	4.54	-93.35
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010807805	1	39	-2.0	-127.01	348.04	5.41	-121.60
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010807808	0	39	-2.0	-145.35	332.08	6.13	-139.22
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010807832	1	39	-2.0	-136.95	337.39	5.94	-131.01
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010807834	1	36	-2.0	-120.12	353.29	5.36	-114.76
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010807846	1	39	-2.0	-126.36	343.68	5.99	-120.37
CN1C=NC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1Cl	REAL300010807875	1	39	-2.0	-140.53	348.77	4.72	-135.81
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010807909	1	43	-2.0	-140.47	363.14	6.26	-134.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])O1	REAL300010807941	1	42	-2.0	-126.35	365.03	4.61	-121.74
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807944	0	41	-2.0	-152.00	348.28	7.29	-144.71
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010807947	1	39	-2.0	-142.21	345.12	6.73	-135.48
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807979	1	41	-2.0	-147.56	356.36	7.81	-139.75
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809681	1	34	-2.0	-92.08	308.33	1.32	-90.76
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810869	1	33	-2.0	-104.77	304.89	1.04	-103.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010810920	0	34	-2.0	-99.33	301.38	4.31	-95.02
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810963	1	44	-2.0	-102.51	378.60	3.04	-99.47
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813503	1	33	-2.0	-99.95	308.59	0.77	-99.18
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010813561	0	34	-2.0	-105.21	308.01	4.17	-101.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813609	1	44	-2.0	-100.36	379.33	3.35	-97.01
CC(CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010813814	0	38	-2.0	-101.58	315.05	4.17	-97.41
CC(CN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010813861	0	33	-2.0	-97.45	297.18	4.97	-92.48
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010813866	0	31	-2.0	-99.14	299.88	4.63	-94.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813982	1	36	-2.0	-100.53	323.38	2.11	-98.42
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=N[N-]1	REAL300010813982	1	36	-2.0	-100.58	323.48	2.12	-98.46
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010816028	1	27	-2.0	-97.58	280.55	2.11	-95.47
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010816036	1	30	-2.0	-108.11	292.22	4.19	-103.92
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010816095	1	30	-2.0	-97.03	317.79	4.53	-92.50
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010816100	1	30	-2.0	-96.32	311.34	4.52	-91.80
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010816112	1	32	-2.0	-99.15	321.70	5.65	-93.50
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010816117	0	30	-2.0	-100.61	297.26	3.80	-96.81
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010816129	1	32	-2.0	-93.13	329.97	5.00	-88.13
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010816150	0	32	-2.0	-95.28	326.07	4.62	-90.66
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010816151	1	32	-2.0	-91.68	322.33	4.50	-87.18
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010816152	1	30	-2.0	-96.25	306.19	4.77	-91.48
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816158	1	33	-2.0	-94.20	320.08	0.13	-94.07
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010816177	0	30	-2.0	-104.55	298.54	4.25	-100.30
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010816185	1	30	-2.0	-103.32	298.40	3.97	-99.35
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010816187	1	39	-2.0	-98.00	370.82	5.43	-92.57
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010816188	1	32	-2.0	-99.94	323.73	5.23	-94.71
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816190	0	38	-2.0	-102.54	344.41	4.91	-97.63
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816199	1	36	-2.0	-106.81	353.51	6.00	-100.81
CC1=NC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(Br)N1C	REAL300010816213	1	33	-2.0	-111.46	316.78	2.84	-108.62
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010816216	0	34	-2.0	-94.49	315.94	3.37	-91.12
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C=C1Br	REAL300010816219	1	31	-2.0	-94.98	322.15	4.35	-90.63
CN1C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010816249	1	33	-2.0	-103.01	314.81	2.24	-100.77
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010816250	1	32	-2.0	-99.11	317.29	5.56	-93.55
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010816262	1	33	-2.0	-100.23	312.34	3.86	-96.37
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010816263	1	33	-2.0	-105.81	327.47	5.45	-100.36
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816264	1	44	-2.0	-100.93	389.92	1.99	-98.94
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816304	1	36	-2.0	-104.88	351.30	4.57	-100.31
NC(=O)C1=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(F)C=C1Br	REAL300010816325	1	34	-2.0	-97.36	332.42	0.86	-96.50
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010816336	1	29	-2.0	-108.25	288.69	2.18	-106.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816344	1	36	-2.0	-104.46	340.98	4.13	-100.33
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])O1	REAL300010816356	1	36	-2.0	-98.83	333.61	2.77	-96.06
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010816369	1	29	-2.0	-98.86	298.14	2.07	-96.79
COC(=O)C1=C(S(=O)(=O)[N-]CCCCC(=O)[O-])OC=C1	REAL300010816373	0	33	-2.0	-111.08	309.55	2.78	-108.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCC(=O)[O-])=N1	REAL300010816377	0	32	-2.0	-116.64	304.52	2.30	-114.34
O=C([O-])CCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010816384	1	30	-2.0	-100.04	291.85	0.92	-99.12
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010816402	1	27	-2.0	-107.83	276.63	1.33	-106.50
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010816404	1	29	-2.0	-95.96	301.21	2.60	-93.36
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010816405	1	29	-2.0	-98.67	293.54	1.99	-96.68
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010816420	0	33	-2.0	-104.83	323.75	4.54	-100.29
CN1N=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1C(F)(F)F	REAL300010816421	1	33	-2.0	-98.59	309.31	2.03	-96.56
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816432	1	33	-2.0	-117.96	308.45	0.97	-116.99
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816450	1	34	-2.0	-109.51	325.13	3.63	-105.88
O=C([O-])CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010816469	0	38	-2.0	-99.60	323.91	3.46	-96.14
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010816480	0	27	-2.0	-101.17	277.94	2.07	-99.10
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816491	1	34	-2.0	-106.09	312.60	4.07	-102.02
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1	REAL300010816511	0	33	-2.0	-95.11	334.81	2.77	-92.34
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010816516	0	33	-2.0	-96.66	305.09	4.07	-92.59
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010816519	1	33	-2.0	-110.80	305.60	2.62	-108.18
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010816521	0	31	-2.0	-94.04	309.69	3.43	-90.61
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010816549	1	27	-2.0	-97.58	280.55	2.11	-95.47
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010816573	1	30	-2.0	-96.43	300.02	2.61	-93.82
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010816586	1	33	-2.0	-104.88	330.94	5.58	-99.30
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010816590	1	35	-2.0	-104.59	338.93	4.92	-99.67
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010816594	1	36	-2.0	-101.14	353.42	4.71	-96.43
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010816600	0	30	-2.0	-102.11	305.98	4.30	-97.81
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816601	1	32	-2.0	-97.53	317.18	2.67	-94.86
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816604	1	32	-2.0	-97.53	317.18	2.67	-94.86
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816607	1	34	-2.0	-110.75	328.03	4.40	-106.35
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010816610	1	30	-2.0	-98.34	303.71	4.00	-94.34
CC1=NC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010816619	1	39	-2.0	-114.68	352.22	2.37	-112.31
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816637	1	36	-2.0	-94.25	333.17	1.48	-92.77
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=N[N-]1	REAL300010816637	1	36	-2.0	-94.23	333.22	1.47	-92.76
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1	REAL300010816639	0	33	-2.0	-94.73	330.73	2.67	-92.06
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816642	1	34	-2.0	-105.32	326.81	4.63	-100.69
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(F)=C1	REAL300010816644	1	34	-2.0	-106.69	314.16	2.98	-103.71
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010816649	1	27	-2.0	-92.90	301.24	3.50	-89.40
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010816655	1	27	-2.0	-100.23	294.67	3.43	-96.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816658	1	33	-2.0	-117.96	308.45	0.97	-116.99
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010816685	0	28	-2.0	-102.20	289.18	1.22	-100.98
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816692	1	39	-2.0	-95.22	357.05	1.68	-93.54
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010816696	0	29	-2.0	-106.56	297.06	2.24	-104.32
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010816719	1	32	-2.0	-110.88	301.44	2.70	-108.18
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010816723	0	29	-2.0	-99.48	304.22	2.79	-96.69
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816735	1	36	-2.0	-103.49	343.92	5.54	-97.95
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816737	1	36	-2.0	-119.29	328.76	5.01	-114.28
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010816743	0	26	-2.0	-93.30	280.10	1.82	-91.48
O=C([O-])CCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010816751	0	35	-2.0	-99.17	326.87	3.73	-95.44
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010816764	1	24	-2.0	-106.96	278.09	3.71	-103.25
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010816783	1	21	-2.0	-105.63	256.02	1.96	-103.67
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010816786	1	24	-2.0	-107.00	273.52	3.61	-103.39
O=C([O-])CC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010816787	0	24	-2.0	-105.92	265.67	2.52	-103.40
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010816789	1	24	-2.0	-105.75	265.67	2.52	-103.23
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC(=O)[O-])C(F)=C1Cl	REAL300010816842	0	31	-2.0	-119.53	311.28	1.60	-117.93
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(Br)O1	REAL300010816847	1	27	-2.0	-103.76	292.51	1.19	-102.57
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010816860	1	24	-2.0	-118.55	252.81	2.74	-115.81
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010816869	0	26	-2.0	-115.15	283.90	4.55	-110.60
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010816893	1	26	-2.0	-126.42	266.88	4.03	-122.39
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010816959	1	26	-2.0	-120.41	268.45	3.91	-116.50
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010816978	1	30	-2.0	-107.69	309.70	2.99	-104.70
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010816991	1	27	-2.0	-118.18	271.63	3.94	-114.24
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010816992	1	26	-2.0	-117.16	273.01	4.02	-113.14
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010816994	1	21	-2.0	-111.62	245.48	1.37	-110.25
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010816996	1	23	-2.0	-105.51	262.79	1.11	-104.40
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010817000	1	26	-2.0	-120.19	273.01	4.02	-116.17
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817149	1	30	-2.0	-110.41	310.07	3.23	-107.18
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010817150	1	24	-2.0	-104.44	282.42	3.45	-100.99
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CCC(=O)[O-])S1	REAL300010817157	0	27	-2.0	-105.21	301.37	2.16	-103.05
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010817175	1	24	-2.0	-106.13	280.88	3.41	-102.72
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010817184	1	24	-2.0	-106.75	274.80	2.94	-103.81
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010817187	1	24	-2.0	-106.05	268.34	2.93	-103.12
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010817196	1	26	-2.0	-110.72	278.71	4.06	-106.66
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010817201	0	24	-2.0	-110.66	254.26	2.21	-108.45
O=C([O-])CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010817205	1	26	-2.0	-102.34	286.97	3.41	-98.93
O=C([O-])CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010817222	0	26	-2.0	-104.97	283.07	3.03	-101.94
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010817223	1	26	-2.0	-100.89	279.33	2.91	-97.98
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010817224	1	24	-2.0	-106.22	263.19	3.18	-103.04
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Cl	REAL300010817252	1	33	-2.0	-107.81	327.82	3.84	-103.97
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010817253	1	26	-2.0	-110.24	280.73	3.64	-106.60
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817254	0	32	-2.0	-113.15	301.41	3.32	-109.83
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010817259	1	33	-2.0	-107.83	331.56	3.92	-103.91
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817263	1	30	-2.0	-118.64	310.51	4.41	-114.23
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(Br)N1C	REAL300010817272	1	27	-2.0	-121.99	273.79	1.25	-120.74
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010817274	0	28	-2.0	-101.42	272.63	1.79	-99.63
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC(=O)[O-])C=C1Br	REAL300010817276	1	25	-2.0	-104.55	279.15	2.75	-101.80
CN1C=C(S(=O)(=O)[N-]CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010817301	1	27	-2.0	-113.11	271.81	0.64	-112.47
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010817302	1	26	-2.0	-110.65	274.29	3.96	-106.69
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010817310	1	27	-2.0	-116.46	284.47	3.86	-112.60
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817311	1	38	-2.0	-104.30	346.93	0.42	-103.88
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817340	1	30	-2.0	-115.47	308.30	2.97	-112.50
NC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010817353	1	28	-2.0	-106.85	289.42	-0.74	-107.59
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010817357	1	24	-2.0	-103.53	281.56	3.50	-100.03
O=C([O-])CC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010817363	1	23	-2.0	-119.41	245.70	0.58	-118.83
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817370	1	30	-2.0	-114.94	297.98	2.53	-112.41
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010817387	1	23	-2.0	-108.63	255.14	0.47	-108.16
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010817418	0	27	-2.0	-114.72	280.76	2.95	-111.77
CN1N=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1C(F)(F)F	REAL300010817419	1	27	-2.0	-108.40	266.32	0.44	-107.96
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817437	1	28	-2.0	-120.59	282.13	2.04	-118.55
O=C([O-])CCNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010817469	1	40	-2.0	-86.40	376.80	1.57	-84.83
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817471	0	27	-2.0	-103.77	291.81	1.18	-102.59
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010817476	0	25	-2.0	-100.79	266.64	1.83	-98.96
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010817515	1	27	-2.0	-115.34	287.94	3.99	-111.35
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010817519	1	29	-2.0	-115.10	295.93	3.33	-111.77
O=C([O-])CC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010817520	1	30	-2.0	-110.51	310.43	3.12	-107.39
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010817524	0	24	-2.0	-112.30	262.98	2.71	-109.59
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817525	1	26	-2.0	-107.09	274.18	1.07	-106.02
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817528	1	26	-2.0	-107.09	274.18	1.07	-106.02
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817530	1	28	-2.0	-122.18	285.03	2.81	-119.37
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010817537	1	33	-2.0	-125.48	309.22	0.77	-124.71
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817544	0	27	-2.0	-103.20	287.74	1.07	-102.13
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817545	1	28	-2.0	-116.52	283.81	3.04	-113.48
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010817551	1	21	-2.0	-102.22	258.26	1.90	-100.32
O=C([O-])CC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010817556	1	21	-2.0	-110.28	251.68	1.83	-108.45
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010817559	1	21	-2.0	-103.24	268.94	2.47	-100.77
O=C([O-])CC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010817576	0	22	-2.0	-111.78	246.19	-0.38	-112.16
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817579	1	33	-2.0	-95.94	314.05	0.11	-95.83
O=C([O-])CC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010817582	0	23	-2.0	-117.12	254.07	0.64	-116.48
O=C([O-])CC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010817598	0	23	-2.0	-109.61	261.23	1.20	-108.41
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817609	1	30	-2.0	-114.84	300.92	3.95	-110.89
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817610	1	30	-2.0	-132.23	285.76	3.41	-128.82
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010817614	0	20	-2.0	-102.36	237.10	0.22	-102.14
O=C([O-])CCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010817618	0	29	-2.0	-105.12	283.87	2.15	-102.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010819437	1	33	-2.0	-102.96	318.22	1.58	-101.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010819495	0	34	-2.0	-105.50	316.39	4.87	-100.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F	REAL300010819543	1	44	-2.0	-106.30	390.03	3.58	-102.72
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010819748	0	38	-2.0	-96.15	320.86	4.86	-91.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010819795	0	33	-2.0	-100.56	305.89	5.70	-94.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010819800	0	31	-2.0	-109.88	304.49	5.51	-104.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1	REAL300010819916	1	36	-2.0	-108.34	330.51	3.00	-105.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1	REAL300010819916	1	36	-2.0	-108.35	330.64	3.00	-105.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1	REAL300010819971	1	39	-2.0	-104.69	351.63	3.02	-101.67
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820754	1	34	-2.0	-107.60	301.92	2.08	-105.52
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010820815	0	35	-2.0	-108.88	307.95	5.23	-103.65
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010821957	1	25	-2.0	-105.49	267.28	-1.21	-106.70
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010821965	1	28	-2.0	-116.93	278.95	0.88	-116.05
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823246	1	27	-2.0	-107.76	275.15	1.92	-105.84
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010823254	1	30	-2.0	-119.80	287.41	4.00	-115.80
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010823313	1	30	-2.0	-107.53	312.40	4.33	-103.20
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010823318	1	30	-2.0	-106.65	306.52	4.32	-102.33
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823330	1	32	-2.0	-110.07	316.89	5.46	-104.61
CC(C)(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010823335	0	30	-2.0	-111.46	292.44	3.61	-107.85
CC(C)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823347	1	32	-2.0	-103.42	325.16	4.81	-98.61
CC(C)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010823368	0	32	-2.0	-105.50	320.67	4.43	-101.07
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010823369	1	32	-2.0	-101.43	316.93	4.31	-97.12
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010823370	1	30	-2.0	-106.71	300.79	4.56	-102.15
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823376	1	33	-2.0	-96.02	312.66	-0.12	-96.14
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010823395	0	30	-2.0	-115.46	293.14	4.06	-111.40
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010823403	1	30	-2.0	-114.53	293.59	3.78	-110.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010823405	1	39	-2.0	-108.71	366.00	5.24	-103.47
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010823406	1	32	-2.0	-110.38	318.33	5.04	-105.34
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823408	0	38	-2.0	-114.19	339.34	4.70	-109.49
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823417	1	36	-2.0	-118.29	348.12	5.79	-112.50
CC1=NC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010823431	1	33	-2.0	-122.16	311.39	2.66	-119.50
CC(C)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010823434	0	34	-2.0	-103.69	307.92	3.14	-100.55
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010823437	1	31	-2.0	-105.38	316.75	4.15	-101.23
CN1C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010823467	1	33	-2.0	-113.40	309.99	2.05	-111.35
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823468	1	32	-2.0	-109.89	312.10	5.37	-104.52
CC(C)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010823480	1	33	-2.0	-110.03	306.95	3.67	-106.36
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823481	1	33	-2.0	-116.88	322.65	5.26	-111.62
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823482	1	44	-2.0	-106.63	382.49	1.76	-104.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823522	1	36	-2.0	-115.67	345.90	4.38	-111.29
CC(C)(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010823543	1	34	-2.0	-107.37	327.02	0.67	-106.70
CC(C)(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010823554	1	29	-2.0	-119.94	283.88	1.98	-117.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823562	1	36	-2.0	-115.17	335.58	3.94	-111.23
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])O1	REAL300010823574	1	36	-2.0	-108.57	328.80	2.57	-106.00
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010823587	1	29	-2.0	-109.29	293.33	1.87	-107.42
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])OC=C1	REAL300010823591	0	33	-2.0	-122.04	304.15	2.59	-119.45
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=N1	REAL300010823595	0	32	-2.0	-128.05	299.12	2.11	-125.94
CC(C)(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010823602	1	30	-2.0	-110.34	287.03	0.72	-109.62
CC(C)(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010823620	1	27	-2.0	-119.00	271.81	1.13	-117.87
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010823622	1	29	-2.0	-106.33	295.81	2.41	-103.92
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010823623	1	29	-2.0	-109.21	288.72	1.80	-107.41
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823631	1	36	-2.0	-140.18	315.76	0.82	-139.36
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010823638	0	33	-2.0	-114.95	318.94	4.35	-110.60
CN1N=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010823639	1	33	-2.0	-108.86	303.94	1.84	-107.02
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823650	1	33	-2.0	-129.30	303.05	0.77	-128.53
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823653	1	39	-2.0	-140.37	334.92	1.22	-139.15
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823668	1	34	-2.0	-120.97	320.32	3.44	-117.53
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010823687	0	38	-2.0	-97.65	316.48	3.22	-94.43
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010823698	0	27	-2.0	-111.60	272.54	1.88	-109.72
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823709	1	34	-2.0	-117.13	307.20	3.87	-113.26
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1	REAL300010823729	0	33	-2.0	-104.61	329.99	2.58	-102.03
CC(C)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010823734	0	33	-2.0	-95.50	297.66	3.83	-91.67
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010823737	1	33	-2.0	-122.36	300.79	2.43	-119.93
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010823739	0	31	-2.0	-103.37	302.26	3.18	-100.19
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823767	1	27	-2.0	-107.76	275.15	1.92	-105.84
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010823791	1	30	-2.0	-105.94	294.63	2.42	-103.52
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823804	1	33	-2.0	-115.78	326.12	5.39	-110.39
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010823808	1	35	-2.0	-115.26	334.11	4.73	-110.53
CC(C)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010823812	1	36	-2.0	-111.72	348.61	4.52	-107.20
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010823818	0	30	-2.0	-113.16	300.58	4.10	-109.06
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823819	1	32	-2.0	-107.26	311.78	2.48	-104.78
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823822	1	32	-2.0	-107.26	311.78	2.48	-104.78
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823825	1	34	-2.0	-122.50	323.21	4.21	-118.29
CC(C)(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010823828	1	30	-2.0	-108.78	298.89	3.81	-104.97
CC1=NC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010823837	1	39	-2.0	-125.44	346.82	2.18	-123.26
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823855	1	36	-2.0	-98.54	325.15	1.24	-97.30
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=N[N-]1	REAL300010823855	1	36	-2.0	-98.43	325.20	1.24	-97.19
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1	REAL300010823857	0	33	-2.0	-104.12	325.92	2.48	-101.64
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823860	1	34	-2.0	-116.44	321.41	4.43	-112.01
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823862	1	34	-2.0	-118.03	308.76	2.79	-115.24
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010823867	1	27	-2.0	-103.41	296.43	3.30	-100.11
CC(C)(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010823873	1	27	-2.0	-111.43	289.27	3.22	-108.21
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823876	1	33	-2.0	-129.30	303.05	0.77	-128.53
CC(C)(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010823903	0	28	-2.0	-112.42	283.79	1.03	-111.39
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823910	1	39	-2.0	-97.64	349.61	1.43	-96.21
CC(C)(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010823914	0	29	-2.0	-118.07	292.25	2.04	-116.03
CC(C)(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823937	1	32	-2.0	-122.45	296.63	2.50	-119.95
CC(C)(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010823941	0	29	-2.0	-110.21	298.83	2.60	-107.61
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823953	1	36	-2.0	-115.06	339.10	5.34	-109.72
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823955	1	36	-2.0	-131.94	323.96	4.81	-127.13
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010823961	0	26	-2.0	-103.35	275.29	1.62	-101.73
CC(C)(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010823969	0	35	-2.0	-107.49	319.43	3.48	-104.01
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010833137	1	24	-2.0	-100.68	259.05	1.33	-99.35
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833153	1	33	-2.0	-103.19	331.57	4.05	-99.14
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010833154	1	27	-2.0	-97.51	303.92	4.26	-93.25
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CCCC(=O)[O-])S1	REAL300010833164	0	30	-2.0	-98.08	322.87	2.97	-95.11
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010833185	1	27	-2.0	-99.49	302.38	4.22	-95.27
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010833195	1	27	-2.0	-99.88	296.30	3.75	-96.13
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010833199	1	27	-2.0	-99.56	289.84	3.74	-95.82
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010833206	1	29	-2.0	-102.71	300.20	4.87	-97.84
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010833210	0	27	-2.0	-103.40	275.76	3.02	-100.38
O=C([O-])CCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010833221	1	29	-2.0	-95.41	308.47	4.22	-91.19
O=C([O-])CCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010833240	0	29	-2.0	-98.04	304.57	3.84	-94.20
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010833241	1	29	-2.0	-94.50	300.83	3.72	-90.78
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010833242	1	27	-2.0	-99.11	284.69	3.99	-95.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833248	1	30	-2.0	-91.35	298.57	-0.65	-92.00
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010833265	0	27	-2.0	-107.49	277.04	3.47	-104.02
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(F)C=C1Cl	REAL300010833274	1	36	-2.0	-100.95	349.32	4.65	-96.30
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010833275	1	29	-2.0	-102.99	302.23	4.45	-98.54
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833277	0	35	-2.0	-105.52	322.91	4.12	-101.40
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833285	1	33	-2.0	-110.64	332.01	5.22	-105.42
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(Br)N1C	REAL300010833296	1	30	-2.0	-114.80	295.29	2.06	-112.74
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010833298	0	31	-2.0	-90.27	294.13	2.59	-87.68
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C=C1Br	REAL300010833300	1	28	-2.0	-97.61	300.65	3.57	-94.04
CN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010833329	1	30	-2.0	-106.72	293.31	1.46	-105.26
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010833330	1	29	-2.0	-102.70	295.79	4.78	-97.92
O=C([O-])CCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010833340	1	30	-2.0	-103.51	290.85	3.08	-100.43
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010833341	1	30	-2.0	-109.23	305.97	4.67	-104.56
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833342	1	41	-2.0	-95.78	368.42	1.21	-94.57
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833377	1	33	-2.0	-108.63	329.80	3.79	-104.84
NC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(F)C=C1Br	REAL300010833391	1	31	-2.0	-100.48	310.92	0.08	-100.40
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010833397	1	27	-2.0	-96.74	303.06	4.31	-92.43
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010833403	1	26	-2.0	-111.85	267.20	1.40	-110.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833411	1	33	-2.0	-108.14	319.48	3.35	-104.79
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCC(=O)[O-])O1	REAL300010833419	1	33	-2.0	-102.00	312.11	1.99	-100.01
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010833431	1	26	-2.0	-102.52	276.64	1.29	-101.23
O=C([O-])CCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010833443	1	27	-2.0	-103.60	270.35	0.14	-103.46
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010833460	1	24	-2.0	-111.49	255.13	0.55	-110.94
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010833462	1	26	-2.0	-99.16	279.71	1.82	-97.34
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010833474	0	30	-2.0	-108.40	302.25	3.76	-104.64
CN1N=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1C(F)(F)F	REAL300010833475	1	30	-2.0	-101.69	287.83	1.25	-100.44
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833502	1	31	-2.0	-112.69	303.63	2.85	-109.84
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010833524	0	24	-2.0	-104.15	256.44	1.29	-102.86
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833533	1	31	-2.0	-109.69	291.10	3.29	-106.40
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010833549	1	43	-2.0	-86.80	398.30	2.37	-84.43
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833551	0	30	-2.0	-98.24	313.31	1.99	-96.25
O=C([O-])CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010833555	0	30	-2.0	-95.67	283.59	3.29	-92.38
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010833558	1	30	-2.0	-113.62	284.10	1.84	-111.78
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010833559	0	28	-2.0	-89.67	288.19	2.65	-87.02
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010833579	1	24	-2.0	-100.68	259.05	1.33	-99.35
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010833600	1	27	-2.0	-99.37	278.52	1.83	-97.54
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010833614	1	30	-2.0	-108.26	309.44	4.80	-103.46
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010833618	1	32	-2.0	-108.14	317.43	4.14	-104.00
O=C([O-])CCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010833619	1	33	-2.0	-103.63	331.93	3.93	-99.70
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010833623	0	27	-2.0	-104.91	284.48	3.52	-101.39
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833624	1	29	-2.0	-101.05	295.68	1.89	-99.16
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833627	1	29	-2.0	-101.05	295.68	1.89	-99.16
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833630	1	31	-2.0	-113.96	306.53	3.62	-110.34
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010833633	1	27	-2.0	-101.66	282.21	3.22	-98.44
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010833640	1	36	-2.0	-118.81	330.72	1.59	-117.22
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833651	1	33	-2.0	-91.28	311.68	0.70	-90.58
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=N[N-]1	REAL300010833651	1	33	-2.0	-91.24	311.72	0.69	-90.55
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833653	0	30	-2.0	-97.71	309.24	1.89	-95.82
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833655	1	31	-2.0	-108.95	305.31	3.85	-105.10
COC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1	REAL300010833657	1	31	-2.0	-109.79	292.66	2.19	-107.60
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010833661	1	24	-2.0	-95.76	279.74	2.72	-93.04
O=C([O-])CCC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010833666	1	24	-2.0	-102.60	273.17	2.64	-99.96
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010833689	0	25	-2.0	-105.58	267.69	0.43	-105.15
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833695	1	36	-2.0	-91.91	335.55	0.90	-91.01
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010833699	0	26	-2.0	-109.85	275.57	1.46	-108.39
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010833717	1	29	-2.0	-113.64	279.94	1.91	-111.73
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010833721	0	26	-2.0	-102.84	282.73	2.01	-100.83
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833734	1	33	-2.0	-106.46	322.42	4.76	-101.70
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833736	1	33	-2.0	-123.17	307.26	4.22	-118.95
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010833741	0	23	-2.0	-96.14	258.60	1.04	-95.10
O=C([O-])CCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010833745	0	32	-2.0	-95.51	305.37	2.94	-92.57
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010839546	1	30	-2.0	-101.71	292.34	2.21	-99.50
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010839556	1	33	-2.0	-111.94	304.01	4.29	-107.65
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010839617	1	33	-2.0	-100.37	323.13	4.62	-95.75
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010839633	0	33	-2.0	-104.27	309.04	3.90	-100.37
CC(C)(CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839647	1	35	-2.0	-96.12	341.76	5.10	-91.02
CC(C)(CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010839668	0	35	-2.0	-98.84	337.85	4.72	-94.12
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010839670	1	35	-2.0	-95.25	333.53	4.59	-90.66
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010839671	1	33	-2.0	-99.68	317.40	4.86	-94.82
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839678	1	36	-2.0	-91.38	331.86	0.24	-91.14
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010839699	0	33	-2.0	-108.29	310.33	4.34	-103.95
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010839707	1	33	-2.0	-106.90	309.61	4.06	-102.84
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010839709	1	42	-2.0	-101.87	382.61	5.52	-96.35
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010839710	1	35	-2.0	-103.51	334.93	5.31	-98.20
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839712	0	41	-2.0	-105.97	355.61	4.99	-100.98
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839721	1	39	-2.0	-111.14	364.72	6.09	-105.05
CC1=NC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010839735	1	36	-2.0	-115.51	327.99	2.92	-112.59
CC(C)(CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010839739	0	37	-2.0	-88.92	326.83	3.48	-85.44
CC(C)(CC[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010839741	1	34	-2.0	-98.51	333.93	4.44	-94.07
CN1C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010839773	1	36	-2.0	-107.60	326.59	2.33	-105.27
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839774	1	35	-2.0	-103.12	328.49	5.64	-97.48
CC(C)(CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010839787	1	36	-2.0	-104.45	324.13	3.95	-100.50
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010839788	1	36	-2.0	-109.88	338.67	5.52	-104.36
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010839794	1	30	-2.0	-105.42	295.94	2.95	-102.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839834	1	39	-2.0	-109.32	362.51	4.66	-104.66
CC(C)(CC[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010839865	1	32	-2.0	-112.69	300.48	2.27	-110.42
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839874	1	39	-2.0	-108.76	352.18	4.21	-104.55
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])O1	REAL300010839886	1	39	-2.0	-102.70	344.81	2.85	-99.85
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010839897	1	32	-2.0	-103.58	309.93	2.16	-101.42
COC(=O)C1=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])OC=C1	REAL300010839901	0	36	-2.0	-114.18	320.76	2.86	-111.32
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=N1	REAL300010839905	0	35	-2.0	-119.67	315.73	2.38	-117.29
CC(C)(CC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010839913	1	33	-2.0	-104.33	303.05	1.00	-103.33
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010839931	1	30	-2.0	-112.53	288.42	1.42	-111.11
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010839933	1	32	-2.0	-99.82	312.42	2.68	-97.14
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010839934	1	32	-2.0	-103.15	304.75	2.07	-101.08
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010839935	1	32	-2.0	-102.59	294.88	1.60	-100.99
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010839951	0	36	-2.0	-109.38	335.54	4.63	-104.75
CN1N=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010839952	1	36	-2.0	-102.51	321.12	2.12	-100.39
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010839962	0	34	-2.0	-90.06	294.50	2.54	-87.52
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839964	1	36	-2.0	-121.63	320.23	1.07	-120.56
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839985	1	37	-2.0	-113.26	336.34	3.72	-109.54
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842164	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010842180	1	33	-2.0	-128.67	325.64	4.78	-123.89
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842181	1	27	-2.0	-121.94	297.99	4.99	-116.95
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010842191	0	30	-2.0	-123.18	316.92	3.72	-119.46
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010842210	1	27	-2.0	-121.92	296.46	4.93	-116.99
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010842219	1	27	-2.0	-123.04	288.42	4.54	-118.50
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010842223	1	27	-2.0	-121.21	283.92	4.46	-116.75
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010842233	0	27	-2.0	-127.52	267.90	3.80	-123.72
CC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842244	1	29	-2.0	-120.97	302.54	4.95	-116.02
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010842263	1	29	-2.0	-115.44	292.96	4.51	-110.93
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010842264	1	27	-2.0	-119.62	276.84	4.74	-114.88
CC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010842270	1	30	-2.0	-96.74	297.75	-0.59	-97.33
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010842284	0	27	-2.0	-128.39	269.18	4.22	-124.17
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010842292	1	36	-2.0	-123.99	341.44	5.44	-118.55
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842301	1	33	-2.0	-132.96	320.24	6.08	-126.88
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010842311	1	30	-2.0	-142.73	290.52	2.75	-139.98
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010842313	0	31	-2.0	-105.77	299.29	2.68	-103.09
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010842315	1	28	-2.0	-121.17	294.70	4.30	-116.87
CC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010842342	1	30	-2.0	-125.87	285.46	2.26	-123.61
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842343	1	29	-2.0	-122.83	289.14	5.54	-117.29
CC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010842353	1	30	-2.0	-126.80	284.94	3.81	-122.99
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842354	1	30	-2.0	-134.24	300.06	5.37	-128.87
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010842355	1	41	-2.0	-99.06	374.68	1.56	-97.50
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842390	1	33	-2.0	-130.26	321.97	4.58	-125.68
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010842403	1	31	-2.0	-120.53	303.05	0.87	-119.66
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842409	1	27	-2.0	-120.91	297.15	5.04	-115.87
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842422	1	33	-2.0	-129.84	311.65	4.14	-125.70
CC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010842430	1	33	-2.0	-122.68	304.27	2.78	-119.90
CC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010842453	1	27	-2.0	-123.22	264.40	0.88	-122.34
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010842470	1	24	-2.0	-131.15	246.17	1.39	-129.76
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010842472	1	26	-2.0	-120.66	271.86	2.62	-118.04
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010842484	0	30	-2.0	-134.34	299.91	4.34	-130.00
CC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010842485	1	30	-2.0	-123.82	279.97	2.05	-121.77
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010842512	1	31	-2.0	-133.68	295.79	3.57	-130.11
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010842533	0	24	-2.0	-128.07	250.92	2.00	-126.07
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010842542	1	31	-2.0	-136.02	288.71	3.99	-132.03
CC[C@@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010842558	1	43	-2.0	-91.43	396.63	2.39	-89.04
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010842560	0	30	-2.0	-118.25	305.46	2.80	-115.45
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010842564	0	30	-2.0	-108.68	289.87	3.64	-105.04
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010842567	1	30	-2.0	-141.51	278.16	2.42	-139.09
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010842568	0	28	-2.0	-104.08	292.98	2.72	-101.36
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842588	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010842609	1	27	-2.0	-119.50	270.68	2.62	-116.88
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842623	1	30	-2.0	-132.02	303.52	5.50	-126.52
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010842627	1	32	-2.0	-131.84	311.51	4.83	-127.01
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010842628	1	33	-2.0	-121.26	314.83	4.57	-116.69
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010842632	0	27	-2.0	-129.76	276.64	4.29	-125.47
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842633	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842636	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010842639	1	31	-2.0	-139.40	300.59	4.15	-135.25
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010842642	1	27	-2.0	-123.34	276.27	3.94	-119.40
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010842649	1	36	-2.0	-146.74	324.89	2.32	-144.42
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842660	1	33	-2.0	-100.16	310.06	0.80	-99.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=N[N-]1	REAL300010842660	1	33	-2.0	-100.24	310.28	0.79	-99.45
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010842662	0	30	-2.0	-117.40	301.38	2.70	-114.70
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010842664	1	31	-2.0	-135.64	302.92	4.56	-131.08
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010842666	1	31	-2.0	-135.43	284.81	2.97	-132.46
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010842670	1	24	-2.0	-119.47	273.79	3.45	-116.02
CC[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010842675	1	24	-2.0	-126.85	265.32	3.46	-123.39
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010842698	0	25	-2.0	-129.00	259.83	1.23	-127.77
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])S1	REAL300010842704	1	36	-2.0	-98.57	335.02	0.95	-97.62
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010842708	0	26	-2.0	-136.80	270.61	2.12	-134.68
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842726	1	29	-2.0	-140.48	274.03	2.59	-137.89
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842730	0	26	-2.0	-123.65	276.78	2.69	-120.96
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842743	1	33	-2.0	-132.24	316.50	5.46	-126.78
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842745	1	33	-2.0	-151.81	298.09	5.01	-146.80
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010842750	0	23	-2.0	-116.95	252.70	1.74	-115.21
CC[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010842754	0	32	-2.0	-106.44	302.03	3.03	-103.41
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010842776	1	33	-2.0	-124.84	326.67	4.17	-120.67
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010842779	0	33	-2.0	-137.73	317.10	4.26	-133.47
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010842802	1	33	-2.0	-132.25	315.39	4.70	-127.55
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010842804	1	30	-2.0	-119.45	324.40	4.79	-114.66
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010842816	1	33	-2.0	-121.94	321.70	4.74	-117.20
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010842827	0	33	-2.0	-127.97	316.49	4.98	-122.99
CN1C=NC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1Cl	REAL300010842846	1	33	-2.0	-137.13	320.95	4.13	-133.00
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842878	1	37	-2.0	-133.21	341.16	4.84	-128.37
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010842910	1	36	-2.0	-122.25	343.05	3.38	-118.87
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010842913	0	35	-2.0	-145.55	329.50	6.27	-139.28
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010842947	1	35	-2.0	-138.69	337.20	6.76	-131.93
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010842994	1	39	-2.0	-125.90	354.57	3.00	-122.90
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844710	1	34	-2.0	-104.85	318.00	1.73	-103.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010844771	0	35	-2.0	-119.82	317.07	4.91	-114.91
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010844994	0	32	-2.0	-121.14	284.46	3.97	-117.17
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847910	1	34	-2.0	-95.66	329.06	2.40	-93.26
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010847971	0	35	-2.0	-112.92	320.50	6.30	-106.62
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849039	1	24	-2.0	-107.29	256.31	1.22	-106.07
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849055	1	33	-2.0	-110.79	329.71	3.96	-106.83
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849056	1	27	-2.0	-105.26	302.87	4.19	-101.07
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])S1	REAL300010849066	0	30	-2.0	-106.17	321.00	2.88	-103.29
CC(C[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010849087	1	27	-2.0	-106.61	301.33	4.15	-102.46
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010849097	1	27	-2.0	-107.43	295.24	3.68	-103.75
CC(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010849101	1	27	-2.0	-106.41	287.97	3.65	-102.76
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849108	1	29	-2.0	-111.24	298.34	4.78	-106.46
CC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010849112	0	27	-2.0	-111.36	274.71	2.95	-108.41
CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849123	1	29	-2.0	-103.28	307.42	4.16	-99.12
CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010849142	0	29	-2.0	-105.12	301.83	3.73	-101.39
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010849143	1	29	-2.0	-101.42	299.78	3.65	-97.77
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010849144	1	27	-2.0	-106.81	282.83	3.90	-102.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849150	1	30	-2.0	-95.35	295.92	-0.74	-96.09
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010849167	0	27	-2.0	-115.35	275.18	3.38	-111.97
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010849176	1	36	-2.0	-108.37	348.27	4.58	-103.79
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010849177	1	29	-2.0	-110.27	300.37	4.36	-105.91
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849179	0	35	-2.0	-113.75	321.05	4.03	-109.72
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849187	1	33	-2.0	-118.83	329.27	5.11	-113.72
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(Br)N1C	REAL300010849198	1	30	-2.0	-121.57	292.55	1.94	-119.63
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010849200	0	31	-2.0	-102.80	290.65	2.48	-100.32
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010849202	1	28	-2.0	-105.03	298.78	3.48	-101.55
CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010849231	1	30	-2.0	-113.75	292.80	1.43	-112.32
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849232	1	29	-2.0	-111.30	294.74	4.71	-106.59
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010849242	1	30	-2.0	-110.04	289.79	3.01	-107.03
CC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849243	1	30	-2.0	-116.74	304.10	4.57	-112.17
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849244	1	41	-2.0	-105.36	365.26	1.11	-104.25
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849279	1	33	-2.0	-116.21	327.94	3.70	-112.51
CC(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010849293	1	31	-2.0	-107.21	309.86	0.01	-107.20
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849299	1	27	-2.0	-104.37	301.20	4.23	-100.14
CC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010849305	1	26	-2.0	-119.77	265.33	1.31	-118.46
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849313	1	33	-2.0	-115.28	316.74	3.23	-112.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])O1	REAL300010849321	1	33	-2.0	-108.23	311.06	1.92	-106.31
CC(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010849333	1	26	-2.0	-109.18	273.90	1.17	-108.01
CC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010849345	1	27	-2.0	-110.66	268.47	0.05	-110.61
CC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010849362	1	24	-2.0	-118.71	253.27	0.46	-118.25
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010849364	1	26	-2.0	-106.23	278.66	1.76	-104.47
CC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010849376	0	30	-2.0	-114.90	301.20	3.69	-111.21
CC(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010849377	1	30	-2.0	-108.84	285.97	1.16	-107.68
CC(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010849390	1	36	-2.0	-139.81	316.36	0.55	-139.26
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849404	1	31	-2.0	-120.67	302.58	2.78	-117.89
CC(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010849426	0	24	-2.0	-111.44	254.57	1.20	-110.24
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849435	1	31	-2.0	-117.40	289.24	3.20	-114.20
CC(CNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849451	1	43	-2.0	-86.77	396.02	2.27	-84.50
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849453	0	30	-2.0	-104.09	311.45	1.90	-102.19
CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010849457	0	30	-2.0	-95.24	280.94	3.22	-92.02
CC(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010849460	1	30	-2.0	-121.76	281.36	1.72	-120.04
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010849461	0	28	-2.0	-101.71	285.85	2.53	-99.18
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849481	1	24	-2.0	-107.29	256.31	1.22	-106.07
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010849502	1	27	-2.0	-105.94	275.79	1.71	-104.23
CC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849516	1	30	-2.0	-115.34	306.70	4.67	-110.67
CC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010849520	1	32	-2.0	-115.49	316.38	4.07	-111.42
CC(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010849521	1	33	-2.0	-111.19	330.06	3.85	-107.34
CC(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010849525	0	27	-2.0	-113.08	282.62	3.43	-109.65
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849526	1	29	-2.0	-107.48	292.94	1.77	-105.71
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849529	1	29	-2.0	-107.48	292.94	1.77	-105.71
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849532	1	31	-2.0	-122.18	305.48	3.55	-118.63
CC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010849535	1	27	-2.0	-108.46	280.35	3.13	-105.33
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010849542	1	36	-2.0	-125.52	327.98	1.46	-124.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849553	1	33	-2.0	-97.75	308.51	0.58	-97.17
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=N[N-]1	REAL300010849553	1	33	-2.0	-97.65	308.56	0.58	-97.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849555	0	30	-2.0	-103.57	307.37	1.80	-101.77
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849557	1	31	-2.0	-116.67	303.45	3.76	-112.91
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(F)=C1	REAL300010849559	1	31	-2.0	-118.04	290.80	2.10	-115.94
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010849563	1	24	-2.0	-102.43	277.01	2.60	-99.83
CC(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010849568	1	24	-2.0	-110.56	270.43	2.52	-108.04
CC(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010849591	0	25	-2.0	-112.56	266.63	0.36	-112.20
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849597	1	36	-2.0	-96.49	332.07	0.80	-95.69
CC(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010849601	0	26	-2.0	-117.38	272.83	1.34	-116.04
CC(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849619	1	29	-2.0	-122.38	278.89	1.84	-120.54
CC(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849623	0	26	-2.0	-110.02	280.86	1.92	-108.10
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849636	1	33	-2.0	-115.44	320.56	4.68	-110.76
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849638	1	33	-2.0	-132.72	305.40	4.14	-128.58
CC(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010849643	0	23	-2.0	-102.57	255.86	0.91	-101.66
CC(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010849647	0	32	-2.0	-105.12	302.20	2.83	-102.29
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010849671	1	33	-2.0	-124.55	308.86	3.88	-120.67
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010849676	0	33	-2.0	-132.71	293.57	3.99	-128.72
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010849699	1	33	-2.0	-123.35	296.96	3.84	-119.51
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010849701	1	30	-2.0	-111.76	307.89	3.87	-107.89
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849707	1	33	-2.0	-115.23	325.39	5.52	-109.71
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010849712	0	33	-2.0	-115.69	317.54	4.44	-111.25
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010849714	1	33	-2.0	-118.69	323.28	4.43	-114.26
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010849715	1	33	-2.0	-117.46	308.97	3.89	-113.57
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010849728	0	33	-2.0	-121.06	299.97	4.06	-117.00
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010849743	1	33	-2.0	-132.57	304.12	3.19	-129.38
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010849780	1	37	-2.0	-130.18	328.43	4.18	-126.00
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C(F)=C1Cl	REAL300010849798	0	40	-2.0	-132.95	368.91	3.50	-129.45
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(Br)O1	REAL300010849803	1	36	-2.0	-116.49	350.12	3.10	-113.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)O1	REAL300010849817	1	36	-2.0	-118.57	330.33	2.49	-116.08
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849820	0	35	-2.0	-138.06	311.61	5.42	-132.64
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010849823	1	33	-2.0	-126.02	305.26	4.63	-121.39
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849832	0	35	-2.0	-124.79	337.58	6.46	-118.33
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849861	1	35	-2.0	-135.63	324.47	5.93	-129.70
CC(C)C(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010849911	1	39	-2.0	-135.67	337.36	2.71	-132.96
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010849925	1	39	-2.0	-139.55	339.76	2.19	-137.36
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849953	1	35	-2.0	-133.97	326.06	5.82	-128.15
CC(C)C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010849987	1	36	-2.0	-129.58	314.81	4.11	-125.47
COC(=O)C1=COC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010849999	1	36	-2.0	-121.36	324.93	2.45	-118.91
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850238	1	30	-2.0	-115.79	290.00	2.41	-113.38
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010850248	1	33	-2.0	-127.54	301.68	4.49	-123.05
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010850309	1	33	-2.0	-114.34	320.06	4.84	-109.50
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010850325	0	33	-2.0	-123.18	311.87	4.11	-119.07
CC(C)C(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850339	1	35	-2.0	-106.06	338.80	5.32	-100.74
CC(C)C(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010850360	0	35	-2.0	-114.17	335.52	4.92	-109.25
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010850362	1	35	-2.0	-110.15	331.21	4.82	-105.33
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010850363	1	33	-2.0	-117.51	320.81	5.08	-112.43
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850370	1	36	-2.0	-98.96	334.08	0.44	-98.52
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010850391	0	33	-2.0	-125.26	313.16	4.55	-120.71
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010850399	1	33	-2.0	-123.82	307.28	4.29	-119.53
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010850401	1	42	-2.0	-117.67	379.69	5.75	-111.92
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010850402	1	35	-2.0	-119.23	338.34	5.54	-113.69
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850404	0	41	-2.0	-124.30	359.02	5.21	-119.09
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850413	1	39	-2.0	-126.26	362.97	6.30	-119.96
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010850427	1	36	-2.0	-133.50	331.40	3.16	-130.34
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010850431	0	37	-2.0	-100.61	325.07	3.66	-96.95
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010850433	1	34	-2.0	-113.54	331.02	4.67	-108.87
CC(C)C(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010850465	1	36	-2.0	-128.29	330.77	2.62	-125.67
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850466	1	35	-2.0	-116.50	324.96	5.87	-110.63
CC(C)C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010850479	1	36	-2.0	-122.01	321.22	4.18	-117.83
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010850480	1	36	-2.0	-127.51	336.34	5.77	-121.74
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010850486	1	30	-2.0	-123.63	298.76	3.17	-120.46
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850526	1	39	-2.0	-123.94	360.75	4.87	-119.07
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010850557	1	32	-2.0	-129.03	298.15	2.47	-126.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850566	1	39	-2.0	-123.47	350.43	4.42	-119.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)O1	REAL300010850578	1	39	-2.0	-120.51	342.49	3.09	-117.42
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010850589	1	32	-2.0	-124.81	312.75	2.38	-122.43
COC(=O)C1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)OC=C1	REAL300010850593	0	36	-2.0	-133.69	324.17	3.08	-130.61
CC(C)C(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850597	0	35	-2.0	-139.84	319.13	2.60	-137.24
CC(C)C(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010850605	1	33	-2.0	-116.91	301.30	1.21	-115.70
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010850623	1	30	-2.0	-131.20	291.24	1.63	-129.57
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010850625	1	32	-2.0	-117.01	315.82	2.91	-114.10
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010850626	1	32	-2.0	-121.10	302.42	2.31	-118.79
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010850627	1	32	-2.0	-123.53	297.71	1.81	-121.72
CC(C)C(C[N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010850632	1	37	-2.0	-157.88	321.96	0.98	-156.90
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850635	1	39	-2.0	-150.26	329.16	1.29	-148.97
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010850643	0	36	-2.0	-124.71	333.21	4.84	-119.87
CC(C)C(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010850644	1	36	-2.0	-120.34	323.94	2.34	-118.00
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010850654	0	34	-2.0	-101.95	292.72	2.72	-99.23
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850656	1	36	-2.0	-139.02	317.90	1.27	-137.75
CC(C)C(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010850660	1	42	-2.0	-152.20	354.33	1.73	-150.47
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850677	1	37	-2.0	-131.05	339.74	3.95	-127.10
CC(C)C(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010850703	0	41	-2.0	-97.56	337.90	3.78	-93.78
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010850713	0	30	-2.0	-123.35	292.55	2.37	-120.98
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850724	1	37	-2.0	-127.56	322.05	4.36	-123.20
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010850748	0	36	-2.0	-118.01	349.42	3.08	-114.93
CC(C)C(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010850752	0	36	-2.0	-102.29	319.68	4.39	-97.90
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010850755	1	36	-2.0	-131.67	314.48	2.93	-128.74
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010850758	0	34	-2.0	-97.10	323.63	3.73	-93.37
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850789	1	30	-2.0	-115.79	290.00	2.41	-113.38
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010850815	1	33	-2.0	-117.46	308.90	2.92	-114.54
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010850833	1	38	-2.0	-127.41	353.54	5.23	-122.18
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010850837	0	34	-2.0	-101.95	292.72	2.72	-99.23
CC(C)C(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010850838	1	39	-2.0	-120.18	362.14	5.04	-115.14
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010850844	0	33	-2.0	-125.21	320.60	4.61	-120.60
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850845	1	35	-2.0	-119.56	326.06	2.99	-116.57
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850848	1	35	-2.0	-119.56	326.06	2.99	-116.57
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850850	1	37	-2.0	-132.96	342.64	4.71	-128.25
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010850853	1	33	-2.0	-119.96	312.59	4.32	-115.64
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010850865	1	42	-2.0	-142.66	366.84	2.67	-139.99
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850886	1	39	-2.0	-99.38	340.68	1.77	-97.61
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=N[N-]1	REAL300010850886	1	39	-2.0	-99.41	340.73	1.77	-97.64
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010850888	0	36	-2.0	-117.45	345.35	2.97	-114.48
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850891	1	37	-2.0	-127.32	336.26	4.93	-122.39
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850893	1	37	-2.0	-130.14	328.78	3.28	-126.86
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010850898	1	30	-2.0	-114.01	315.86	3.81	-110.20
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850907	1	36	-2.0	-139.02	317.90	1.27	-137.75
CC(C)C(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010850938	0	31	-2.0	-125.41	303.80	1.53	-123.88
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010850941	1	32	-2.0	-129.95	294.49	2.35	-127.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850946	1	42	-2.0	-96.38	371.64	1.99	-94.39
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010850950	0	32	-2.0	-130.73	311.67	2.55	-128.18
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850976	1	35	-2.0	-131.51	310.89	2.99	-128.52
CC(C)C(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010850982	0	32	-2.0	-120.49	318.83	3.11	-117.38
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850996	1	39	-2.0	-125.59	358.53	5.86	-119.73
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850998	1	39	-2.0	-141.74	338.21	5.31	-136.43
CC(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010853102	0	38	-2.0	-106.67	329.97	4.87	-101.80
CC(C[N-]S(=O)(=O)C1=CC=C(Cl)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853107	1	34	-2.0	-120.22	321.52	4.51	-115.71
CC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853110	1	37	-2.0	-122.93	352.96	6.45	-116.48
CCN1N=CC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010853134	1	39	-2.0	-129.41	346.15	2.71	-126.70
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853144	1	43	-2.0	-101.00	380.42	3.90	-97.10
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N[N-]1	REAL300010853144	1	43	-2.0	-101.06	380.47	3.90	-97.16
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300010853148	1	41	-2.0	-134.50	363.44	5.43	-129.07
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853150	1	34	-2.0	-116.66	346.86	5.99	-110.67
CC(C[N-]S(=O)(=O)C1=C(C#N)C=CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853156	1	35	-2.0	-125.91	324.45	4.36	-121.55
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853157	1	40	-2.0	-144.49	354.09	3.47	-141.02
CC(C[N-]S(=O)(=O)C1=NNN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853181	1	33	-2.0	-121.10	301.28	0.76	-120.34
CC(C[N-]S(=O)(=O)C1=NC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010853182	1	36	-2.0	-134.99	330.63	4.55	-130.44
CC(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853214	1	39	-2.0	-135.11	344.78	5.49	-129.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853229	1	43	-2.0	-146.74	374.36	7.51	-139.23
CC1=CC=C([O-])C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853259	1	41	-2.0	-113.77	341.31	5.53	-108.24
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(F)=C1	REAL300010853672	1	39	-2.0	-97.12	343.60	2.01	-95.11
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010853769	0	36	-2.0	-108.25	329.45	4.34	-103.91
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010853769	1	36	-2.0	-108.20	329.50	4.33	-103.87
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)S1	REAL300010853983	1	34	-2.0	-106.09	313.15	1.68	-104.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010855309	1	33	-2.0	-91.35	302.77	0.98	-90.37
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010855367	0	34	-2.0	-102.84	310.05	4.38	-98.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(F)=C1	REAL300010855415	1	44	-2.0	-106.59	384.33	3.19	-103.40
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010855620	0	38	-2.0	-99.45	305.79	4.56	-94.89
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010855667	0	33	-2.0	-102.41	299.87	5.35	-97.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010855672	0	31	-2.0	-100.89	304.69	4.61	-96.28
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855788	1	36	-2.0	-105.77	324.81	2.49	-103.28
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=N[N-]1	REAL300010855788	1	36	-2.0	-105.62	324.91	2.49	-103.13
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])S1	REAL300010855843	1	39	-2.0	-102.10	346.38	2.41	-99.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010855902	0	35	-2.0	-111.78	316.43	4.76	-107.02
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300010855925	1	31	-2.0	-121.55	289.24	4.31	-117.24
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCC1	REAL300010855930	0	31	-2.0	-134.39	279.96	4.41	-129.98
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCC1	REAL300010855953	1	31	-2.0	-123.35	283.08	4.25	-119.10
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCC1	REAL300010855955	1	28	-2.0	-111.61	294.04	4.29	-107.32
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCC1	REAL300010855961	1	31	-2.0	-114.85	311.81	5.94	-108.91
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCC1	REAL300010855966	0	31	-2.0	-115.70	303.65	4.85	-110.85
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCC1	REAL300010855968	1	31	-2.0	-115.42	303.65	4.85	-110.57
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCC1	REAL300010855969	1	31	-2.0	-114.00	289.35	4.31	-109.69
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCC1	REAL300010855982	0	31	-2.0	-122.16	286.37	4.47	-117.69
CN1C=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1Cl	REAL300010855996	1	31	-2.0	-127.92	288.72	3.82	-124.10
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010856465	1	28	-2.0	-120.13	276.08	2.70	-117.43
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300010856474	1	31	-2.0	-128.86	288.45	4.74	-124.12
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300010856535	1	31	-2.0	-112.02	309.26	5.05	-106.97
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCC1	REAL300010856550	0	31	-2.0	-122.16	292.52	4.54	-117.62
O=C([O-])CC1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300010856563	1	33	-2.0	-103.69	327.30	5.59	-98.10
O=C([O-])CC1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCC1	REAL300010856584	0	33	-2.0	-113.59	321.05	5.36	-108.23
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCC1	REAL300010856586	1	33	-2.0	-110.15	317.32	5.24	-104.91
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300010856587	1	31	-2.0	-113.48	301.48	5.51	-107.97
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300010856594	1	34	-2.0	-98.37	309.77	0.53	-97.84
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300010856612	0	31	-2.0	-128.50	293.80	4.99	-123.51
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300010856619	1	31	-2.0	-123.78	293.41	4.71	-119.07
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(F)C=C1Cl	REAL300010856621	1	40	-2.0	-117.67	365.80	6.18	-111.49
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCC1	REAL300010856622	1	33	-2.0	-121.87	319.02	5.97	-115.90
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856624	0	39	-2.0	-120.16	338.49	5.60	-114.56
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856633	1	37	-2.0	-123.55	349.00	6.65	-116.90
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(Br)N1C	REAL300010856647	1	34	-2.0	-135.85	312.32	3.42	-132.43
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C=C1Br	REAL300010856652	1	32	-2.0	-113.35	317.12	5.09	-108.26
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300010856684	1	34	-2.0	-124.73	310.39	2.90	-121.83
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010856685	1	33	-2.0	-109.96	310.75	6.09	-103.87
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300010856698	1	34	-2.0	-123.53	307.52	4.65	-118.88
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300010856699	1	34	-2.0	-126.99	323.68	6.14	-120.85
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCC1	REAL300010856705	1	28	-2.0	-120.06	277.08	3.70	-116.36
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1F	REAL300010856743	1	37	-2.0	-130.22	346.28	5.32	-124.90
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1F	REAL300010856778	1	37	-2.0	-129.27	335.96	4.87	-124.40
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300010856790	1	37	-2.0	-122.32	328.78	3.56	-118.76
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCC1	REAL300010856801	1	30	-2.0	-121.92	293.13	2.80	-119.12
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)OC=C1	REAL300010856805	0	34	-2.0	-133.72	307.60	3.20	-130.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=N1	REAL300010856809	0	33	-2.0	-136.42	298.26	3.11	-133.31
O=C([O-])CC1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCC1	REAL300010856817	1	31	-2.0	-119.79	286.87	1.64	-118.15
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCC1	REAL300010856836	1	28	-2.0	-124.16	270.81	2.19	-121.97
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCC1	REAL300010856838	1	30	-2.0	-115.21	297.44	3.15	-112.06
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCC1	REAL300010856839	1	30	-2.0	-121.56	288.54	2.73	-118.83
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCC1	REAL300010856840	1	30	-2.0	-120.48	278.08	2.24	-118.24
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCC1	REAL300010856855	0	34	-2.0	-128.17	322.86	4.96	-123.21
CN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1C(F)(F)F	REAL300010856856	1	34	-2.0	-117.42	306.11	2.69	-114.73
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856866	1	34	-2.0	-138.02	302.32	1.82	-136.20
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1F	REAL300010856887	1	35	-2.0	-125.90	320.18	4.22	-121.68
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCC1	REAL300010856919	0	28	-2.0	-122.06	275.44	2.78	-119.28
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856931	1	35	-2.0	-127.06	311.24	4.62	-122.44
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1	REAL300010856952	0	34	-2.0	-113.73	330.09	3.46	-110.27
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCC1	REAL300010856956	0	34	-2.0	-108.00	290.75	4.35	-103.65
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCC1	REAL300010856959	1	34	-2.0	-130.63	300.61	3.33	-127.30
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010858919	1	24	-2.0	-124.49	251.21	2.14	-122.35
CC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010858935	1	33	-2.0	-123.82	323.72	4.82	-119.00
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858936	1	27	-2.0	-119.66	298.00	4.98	-114.68
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010858946	0	30	-2.0	-116.00	321.65	3.11	-112.89
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010858965	1	27	-2.0	-120.52	294.54	5.01	-115.51
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010858974	1	27	-2.0	-125.11	290.36	4.49	-120.62
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010858978	1	27	-2.0	-121.91	283.93	4.45	-117.46
CC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010858988	0	27	-2.0	-128.98	269.83	3.74	-125.24
CC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858999	1	29	-2.0	-110.16	307.51	4.37	-105.79
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860099	1	28	-2.0	-99.90	277.30	2.52	-97.38
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010860109	1	31	-2.0	-113.04	287.38	4.68	-108.36
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010860172	1	31	-2.0	-99.19	307.68	5.01	-94.18
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010860188	0	31	-2.0	-106.17	292.47	4.30	-101.87
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010860202	1	33	-2.0	-95.93	326.29	5.50	-90.43
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010860223	0	33	-2.0	-98.36	322.40	5.12	-93.24
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010860225	1	33	-2.0	-94.70	318.64	4.99	-89.71
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010860226	1	31	-2.0	-101.11	301.36	5.27	-95.84
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860233	1	34	-2.0	-93.54	320.72	0.42	-93.12
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010860254	0	31	-2.0	-107.60	296.65	4.68	-102.92
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010860262	1	31	-2.0	-106.17	294.73	4.46	-101.71
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010860264	1	40	-2.0	-103.62	366.03	5.91	-97.71
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010860265	1	33	-2.0	-101.98	321.86	5.68	-96.30
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860267	0	39	-2.0	-104.37	339.76	5.33	-99.04
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860276	1	37	-2.0	-109.94	349.79	6.50	-103.44
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010860290	1	34	-2.0	-115.76	313.71	3.26	-112.50
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010860294	0	35	-2.0	-97.16	324.55	3.62	-93.54
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010860296	1	32	-2.0	-99.92	317.37	4.84	-95.08
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010860328	1	34	-2.0	-108.46	310.01	2.73	-105.73
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010860329	1	33	-2.0	-101.33	313.11	6.01	-95.32
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010860342	1	34	-2.0	-103.29	308.19	4.35	-98.94
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010860343	1	34	-2.0	-108.97	326.56	5.80	-103.17
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010860349	1	28	-2.0	-104.30	279.99	3.36	-100.94
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860388	1	37	-2.0	-108.34	347.64	5.07	-103.27
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010860419	1	30	-2.0	-113.39	282.62	2.79	-110.60
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860428	1	37	-2.0	-107.74	337.32	4.63	-103.11
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010860440	1	37	-2.0	-104.78	328.76	3.26	-101.52
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010860451	1	30	-2.0	-101.79	293.96	2.55	-99.24
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)OC=C1	REAL300010860455	0	34	-2.0	-116.32	303.45	3.29	-113.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300010860459	0	33	-2.0	-117.65	298.99	2.82	-114.83
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010860467	1	31	-2.0	-102.51	287.54	1.41	-101.10
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010860486	1	28	-2.0	-112.47	270.68	1.88	-110.59
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010860488	1	30	-2.0	-98.57	297.04	3.08	-95.49
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010860489	1	30	-2.0	-101.55	289.37	2.48	-99.07
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010860490	1	30	-2.0	-100.77	278.91	1.99	-98.78
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010860506	0	34	-2.0	-109.08	320.67	4.95	-104.13
CN1N=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010860507	1	34	-2.0	-104.29	304.55	2.51	-101.78
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010860517	0	32	-2.0	-95.05	291.75	2.67	-92.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860519	1	34	-2.0	-122.00	302.35	1.49	-120.51
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860540	1	35	-2.0	-111.91	323.25	4.07	-107.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010860565	0	39	-2.0	-105.37	323.54	3.66	-101.71
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010860575	0	28	-2.0	-104.38	273.17	2.61	-101.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860587	1	35	-2.0	-112.65	307.85	4.51	-108.14
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860610	0	34	-2.0	-97.90	330.63	3.25	-94.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860614	0	34	-2.0	-96.28	313.09	4.69	-91.59
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010860617	1	34	-2.0	-112.72	302.36	3.01	-109.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010860620	0	32	-2.0	-90.82	317.41	3.70	-87.12
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860651	1	28	-2.0	-99.90	277.30	2.52	-97.38
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010860678	1	31	-2.0	-98.80	295.85	3.09	-95.71
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010860696	1	36	-2.0	-108.72	335.27	5.43	-103.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010860700	0	32	-2.0	-95.05	291.75	2.67	-92.38
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010860701	1	37	-2.0	-104.74	343.69	5.45	-99.29
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010860707	0	31	-2.0	-107.65	301.15	4.78	-102.87
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860708	1	33	-2.0	-100.14	312.20	3.07	-97.07
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860711	1	33	-2.0	-100.14	312.20	3.07	-97.07
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860713	1	35	-2.0	-115.11	323.22	4.86	-110.25
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010860716	1	31	-2.0	-101.31	300.02	4.49	-96.82
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010860728	1	40	-2.0	-113.40	346.31	3.06	-110.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860749	1	37	-2.0	-93.23	336.26	1.73	-91.50
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010860749	1	37	-2.0	-93.14	336.36	1.73	-91.41
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860751	0	34	-2.0	-97.39	326.56	3.15	-94.24
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860754	1	35	-2.0	-111.60	322.05	5.08	-106.52
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860756	1	35	-2.0	-112.58	309.30	3.46	-109.12
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010860761	1	28	-2.0	-95.63	296.98	3.98	-91.65
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860770	1	34	-2.0	-122.00	302.35	1.49	-120.51
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010860801	0	29	-2.0	-108.61	284.66	1.59	-107.02
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010860804	1	30	-2.0	-114.12	279.03	2.65	-111.47
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860809	1	40	-2.0	-94.22	352.99	1.77	-92.45
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010860813	0	30	-2.0	-109.16	293.83	2.64	-106.52
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010860838	1	33	-2.0	-114.75	294.34	3.45	-111.30
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010860844	0	30	-2.0	-103.61	301.25	3.17	-100.44
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860858	1	37	-2.0	-108.18	339.17	5.96	-102.22
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860860	1	37	-2.0	-122.26	325.51	5.41	-116.85
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010860866	0	27	-2.0	-96.51	279.34	2.15	-94.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010860876	0	36	-2.0	-94.87	324.74	4.02	-90.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010870844	1	33	-2.0	-99.17	302.07	1.71	-97.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010870902	0	34	-2.0	-106.50	304.28	4.01	-102.49
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300010870950	1	44	-2.0	-103.89	374.84	3.19	-100.70
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884829	1	34	-2.0	-111.09	304.51	1.00	-110.09
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887212	1	25	-2.0	-104.87	264.99	1.87	-103.00
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010887220	1	28	-2.0	-114.99	276.35	3.96	-111.03
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887246	0	31	-2.0	-101.32	324.89	3.66	-97.66
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010887279	1	28	-2.0	-103.51	302.20	4.28	-99.23
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010887283	1	28	-2.0	-101.46	295.39	4.27	-97.19
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887295	1	30	-2.0	-104.28	305.80	5.37	-98.91
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010887300	0	28	-2.0	-106.98	281.34	3.56	-103.42
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010887311	1	30	-2.0	-99.77	314.03	4.76	-95.01
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010887331	0	30	-2.0	-101.46	310.17	4.38	-97.08
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010887332	1	30	-2.0	-97.90	306.73	4.25	-93.65
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010887333	1	28	-2.0	-102.03	290.63	4.54	-97.49
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887339	1	31	-2.0	-91.63	304.92	-0.19	-91.82
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010887356	0	28	-2.0	-111.95	282.98	4.00	-107.95
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010887364	1	28	-2.0	-109.36	282.48	3.72	-105.64
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010887366	1	37	-2.0	-104.41	355.24	5.19	-99.22
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010887367	1	30	-2.0	-104.31	308.15	4.99	-99.32
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887369	0	36	-2.0	-108.35	327.95	4.64	-103.71
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887378	1	34	-2.0	-112.44	334.02	5.88	-106.56
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010887392	1	31	-2.0	-119.67	302.34	2.53	-117.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010887395	0	32	-2.0	-94.87	308.21	3.00	-91.87
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887398	1	29	-2.0	-100.43	306.24	4.11	-96.32
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010887428	1	31	-2.0	-111.03	299.23	2.00	-109.03
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887429	1	30	-2.0	-104.13	301.36	5.29	-98.84
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010887441	1	31	-2.0	-107.14	296.79	3.63	-103.51
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010887442	1	31	-2.0	-112.63	315.24	5.07	-107.56
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887443	1	42	-2.0	-98.72	374.39	1.71	-97.01
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887483	1	34	-2.0	-113.63	335.75	4.33	-109.30
NC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010887503	1	32	-2.0	-102.49	316.50	0.61	-101.88
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010887514	1	27	-2.0	-115.37	273.12	1.95	-113.42
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887522	1	34	-2.0	-109.82	325.09	3.89	-105.93
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887533	1	34	-2.0	-104.34	317.65	2.51	-101.83
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010887546	1	27	-2.0	-107.06	282.57	1.83	-105.23
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)OC=C1	REAL300010887550	0	31	-2.0	-118.08	296.56	2.18	-115.90
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300010887554	0	30	-2.0	-122.57	287.34	2.14	-120.43
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010887561	1	28	-2.0	-104.97	275.92	0.68	-104.29
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010887578	1	25	-2.0	-112.63	259.59	1.15	-111.48
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010887580	1	27	-2.0	-102.66	285.66	2.36	-100.30
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010887581	1	27	-2.0	-103.90	277.64	1.76	-102.14
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010887595	0	31	-2.0	-111.26	307.85	4.29	-106.97
CN1N=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010887596	1	31	-2.0	-104.65	293.38	1.79	-102.86
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887608	1	31	-2.0	-122.59	291.61	0.81	-121.78
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887626	1	32	-2.0	-117.14	309.56	3.40	-113.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010887645	0	36	-2.0	-108.56	305.80	3.04	-105.52
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010887654	0	25	-2.0	-107.62	262.37	1.83	-105.79
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887664	1	32	-2.0	-112.71	297.03	3.82	-108.89
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887683	0	31	-2.0	-100.62	318.89	2.53	-98.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887687	0	31	-2.0	-97.52	289.28	3.78	-93.74
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010887690	1	31	-2.0	-117.28	290.06	2.37	-114.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010887692	0	29	-2.0	-94.14	302.25	3.02	-91.12
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887715	1	25	-2.0	-104.87	264.99	1.87	-103.00
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010887739	1	28	-2.0	-103.74	284.43	2.37	-101.37
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010887752	1	31	-2.0	-111.51	314.99	5.32	-106.19
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010887756	1	33	-2.0	-110.43	323.40	4.68	-105.75
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010887759	1	34	-2.0	-104.91	332.21	4.71	-100.20
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010887765	0	28	-2.0	-108.36	290.09	4.06	-104.30
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887766	1	30	-2.0	-105.38	300.83	2.35	-103.03
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887769	1	30	-2.0	-105.38	300.83	2.35	-103.03
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887772	1	32	-2.0	-118.36	312.12	4.17	-114.19
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010887775	1	28	-2.0	-106.15	288.12	3.75	-102.40
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010887783	1	37	-2.0	-121.53	336.37	2.14	-119.39
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887799	1	34	-2.0	-91.62	319.94	1.09	-90.53
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010887799	1	34	-2.0	-91.62	320.04	1.10	-90.52
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887801	0	31	-2.0	-101.58	315.17	2.42	-99.16
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887804	1	32	-2.0	-111.73	314.35	4.40	-107.33
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887806	1	32	-2.0	-113.51	298.20	2.73	-110.78
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010887811	1	25	-2.0	-98.80	285.65	3.25	-95.55
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010887817	1	25	-2.0	-105.47	274.65	3.39	-102.08
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887820	1	31	-2.0	-122.59	291.61	0.81	-121.78
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010887847	0	26	-2.0	-108.85	273.61	0.85	-108.00
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887854	1	37	-2.0	-92.14	341.85	1.37	-90.77
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010887858	0	27	-2.0	-113.19	282.07	1.90	-111.29
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010887880	1	30	-2.0	-115.82	283.27	2.74	-113.08
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010887884	0	27	-2.0	-105.12	288.29	2.56	-102.56
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887895	1	34	-2.0	-109.18	328.91	5.21	-103.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887897	1	34	-2.0	-125.65	309.57	4.84	-120.81
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010887903	0	24	-2.0	-99.59	268.05	1.42	-98.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010887911	0	33	-2.0	-96.60	309.01	3.43	-93.17
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010887933	1	36	-2.0	-97.62	322.04	2.46	-95.16
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010887936	0	36	-2.0	-109.17	312.48	2.54	-106.63
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300010887960	1	36	-2.0	-101.39	315.86	2.40	-98.99
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010887962	1	33	-2.0	-98.81	326.35	2.38	-96.43
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010887974	1	36	-2.0	-93.81	322.15	2.46	-91.35
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010887986	0	36	-2.0	-99.53	318.87	2.61	-96.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890498	1	34	-2.0	-97.98	315.73	1.36	-96.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010890559	0	35	-2.0	-104.66	315.06	4.61	-100.05
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010890782	0	32	-2.0	-105.87	282.75	3.69	-102.18
O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890830	0	39	-2.0	-100.06	319.35	4.72	-95.34
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890879	0	34	-2.0	-96.60	304.70	5.52	-91.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010890885	0	32	-2.0	-103.82	309.04	4.64	-99.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010890965	0	32	-2.0	-105.87	282.75	3.69	-102.18
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891865	1	34	-2.0	-111.18	301.82	1.98	-109.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010891926	0	35	-2.0	-106.07	300.98	5.16	-100.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893232	1	34	-2.0	-107.57	301.77	2.08	-105.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010893293	0	35	-2.0	-108.89	307.96	5.34	-103.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010893516	0	32	-2.0	-111.09	275.64	4.39	-106.70
O=C([O-])C1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893564	0	39	-2.0	-108.19	305.78	5.30	-102.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893613	0	34	-2.0	-125.93	297.40	6.39	-119.54
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010893619	0	32	-2.0	-105.40	301.91	5.39	-100.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010893699	0	32	-2.0	-111.09	275.64	4.39	-106.70
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893748	1	37	-2.0	-115.63	316.74	3.27	-112.36
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=N[N-]1	REAL300010893748	1	37	-2.0	-115.57	316.75	3.26	-112.31
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893808	1	40	-2.0	-113.48	340.35	3.27	-110.21
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010893875	0	36	-2.0	-130.86	307.43	5.55	-125.31
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894599	1	34	-2.0	-96.76	315.05	1.33	-95.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010894660	0	35	-2.0	-105.84	312.61	4.60	-101.24
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010894883	0	32	-2.0	-106.98	280.12	3.64	-103.34
O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894931	0	39	-2.0	-99.64	318.86	4.69	-94.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894980	0	34	-2.0	-95.52	302.59	5.41	-90.11
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010894986	0	32	-2.0	-89.81	308.68	4.65	-85.16
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897059	1	25	-2.0	-103.21	264.63	1.87	-101.34
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010897067	1	28	-2.0	-114.06	276.30	3.95	-110.11
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)S1	REAL300010897093	0	31	-2.0	-101.48	328.75	3.51	-97.97
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010897126	1	28	-2.0	-102.83	301.85	4.28	-98.55
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010897130	1	28	-2.0	-101.43	295.43	4.27	-97.16
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897142	1	30	-2.0	-104.14	306.10	5.39	-98.75
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010897147	0	28	-2.0	-107.15	281.29	3.56	-103.59
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010897158	1	30	-2.0	-97.50	314.35	4.76	-92.74
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010897178	0	30	-2.0	-101.18	310.45	4.37	-96.81
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010897179	1	30	-2.0	-97.21	306.39	4.25	-92.96
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010897180	1	28	-2.0	-100.35	288.38	4.61	-95.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897186	1	31	-2.0	-94.26	304.20	-0.15	-94.41
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010897203	0	28	-2.0	-107.84	280.74	4.09	-103.75
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010897211	1	28	-2.0	-109.37	282.48	3.72	-105.65
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010897213	1	37	-2.0	-104.54	355.20	5.18	-99.36
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010897214	1	30	-2.0	-102.83	305.92	5.07	-97.76
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897216	0	36	-2.0	-106.55	326.23	4.71	-101.84
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897225	1	34	-2.0	-110.97	331.78	5.96	-105.01
CC1=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(Br)N1C	REAL300010897239	1	31	-2.0	-114.88	299.29	2.66	-112.22
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010897242	0	32	-2.0	-92.06	299.26	3.12	-88.94
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C=C1Br	REAL300010897245	1	29	-2.0	-100.96	306.56	4.10	-96.86
CN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010897275	1	31	-2.0	-107.93	298.89	1.99	-105.94
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897276	1	30	-2.0	-104.04	301.68	5.28	-98.76
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010897288	1	31	-2.0	-107.30	296.74	3.61	-103.69
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010897289	1	31	-2.0	-112.49	311.86	5.20	-107.29
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897290	1	42	-2.0	-100.13	373.64	1.73	-98.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897330	1	34	-2.0	-113.76	335.71	4.32	-109.44
NC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(F)C=C1Br	REAL300010897350	1	32	-2.0	-104.40	316.83	0.61	-103.79
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010897361	1	27	-2.0	-115.53	273.08	1.94	-113.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897369	1	34	-2.0	-113.09	325.39	3.88	-109.21
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)O1	REAL300010897380	1	34	-2.0	-104.33	317.70	2.52	-101.81
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010897393	1	27	-2.0	-107.19	282.53	1.82	-105.37
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)OC=C1	REAL300010897397	0	31	-2.0	-116.76	293.95	2.55	-114.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=N1	REAL300010897401	0	30	-2.0	-122.56	288.92	2.06	-120.50
O=C([O-])C1CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010897408	1	28	-2.0	-108.03	277.58	0.73	-107.30
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010897425	1	25	-2.0	-115.34	261.02	1.08	-114.26
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010897427	1	27	-2.0	-102.74	285.60	2.35	-100.39
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010897428	1	27	-2.0	-107.04	277.93	1.75	-105.29
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010897442	0	31	-2.0	-112.92	311.41	4.12	-108.80
CN1N=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010897443	1	31	-2.0	-104.78	293.70	1.79	-102.99
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897455	1	31	-2.0	-120.56	289.69	0.88	-119.68
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897473	1	32	-2.0	-114.91	307.33	3.46	-111.45
O=C([O-])C1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010897492	0	36	-2.0	-97.81	308.00	3.20	-94.61
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010897501	0	25	-2.0	-107.74	262.33	1.83	-105.91
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897511	1	32	-2.0	-110.01	298.34	3.89	-106.12
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1	REAL300010897530	0	31	-2.0	-102.14	319.19	2.52	-99.62
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897534	0	31	-2.0	-96.89	288.82	3.80	-93.09
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010897537	1	31	-2.0	-117.50	290.00	2.36	-115.14
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010897539	0	29	-2.0	-91.80	293.27	3.16	-88.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897562	1	25	-2.0	-103.21	264.63	1.87	-101.34
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010897586	1	28	-2.0	-101.41	284.10	2.36	-99.05
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010897599	1	31	-2.0	-111.66	315.33	5.34	-106.32
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010897603	1	33	-2.0	-108.49	321.11	4.75	-103.74
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010897606	1	34	-2.0	-105.13	332.97	4.73	-100.40
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010897612	0	28	-2.0	-106.24	288.18	4.13	-102.11
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897613	1	30	-2.0	-105.59	301.57	2.42	-103.17
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897616	1	30	-2.0	-105.59	301.57	2.42	-103.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897619	1	32	-2.0	-113.80	310.22	4.22	-109.58
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010897622	1	28	-2.0	-103.27	287.77	3.75	-99.52
CC1=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010897630	1	37	-2.0	-113.94	333.15	2.38	-111.56
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897646	1	34	-2.0	-94.14	318.72	1.15	-92.99
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=N[N-]1	REAL300010897646	1	34	-2.0	-94.19	318.77	1.15	-93.04
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1	REAL300010897648	0	31	-2.0	-101.69	315.12	2.42	-99.27
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897651	1	32	-2.0	-109.52	312.54	4.47	-105.05
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897653	1	32	-2.0	-111.13	296.35	2.81	-108.32
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010897658	1	25	-2.0	-98.83	285.63	3.25	-95.58
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010897664	1	25	-2.0	-106.01	278.75	3.17	-102.84
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897667	1	31	-2.0	-120.56	289.69	0.88	-119.68
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010897694	0	26	-2.0	-109.05	273.26	0.97	-108.08
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897701	1	37	-2.0	-94.89	341.15	1.41	-93.48
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010897705	0	27	-2.0	-110.79	279.56	2.06	-108.73
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010897727	1	30	-2.0	-113.68	281.68	2.80	-110.88
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010897731	0	27	-2.0	-104.49	286.71	2.62	-101.87
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897742	1	34	-2.0	-108.74	326.08	5.20	-103.54
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897744	1	34	-2.0	-123.47	310.88	4.83	-118.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010897750	0	24	-2.0	-99.34	264.50	1.57	-97.77
O=C([O-])C1CC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010897758	0	33	-2.0	-95.65	309.00	3.42	-92.23
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010897779	1	28	-2.0	-101.60	277.09	3.39	-98.21
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010897805	1	25	-2.0	-100.01	281.55	3.37	-96.64
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010897810	1	28	-2.0	-101.19	299.05	5.03	-96.16
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010897814	0	28	-2.0	-100.09	291.47	3.93	-96.16
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010897816	1	28	-2.0	-100.43	291.16	3.93	-96.50
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010897817	1	28	-2.0	-99.37	276.91	3.39	-95.98
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010897826	0	28	-2.0	-105.46	273.92	3.56	-101.90
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010897871	1	32	-2.0	-110.25	296.31	3.68	-106.57
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1Cl	REAL300010897884	0	35	-2.0	-113.23	336.79	3.01	-110.22
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(Br)O1	REAL300010897889	1	31	-2.0	-99.38	318.36	2.61	-96.77
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010897903	1	31	-2.0	-102.78	298.19	2.00	-100.78
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010897905	0	30	-2.0	-127.53	283.18	5.20	-122.33
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010897908	1	28	-2.0	-112.09	278.31	4.15	-107.94
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010897917	0	30	-2.0	-107.15	305.17	5.95	-101.20
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010897947	1	30	-2.0	-116.84	293.02	5.44	-111.40
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010897999	1	34	-2.0	-114.43	306.17	2.07	-112.36
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898301	1	25	-2.0	-102.59	263.04	1.94	-100.65
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010898309	1	28	-2.0	-112.66	275.11	4.01	-108.65
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898335	0	31	-2.0	-99.47	322.97	3.72	-95.75
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010898368	1	28	-2.0	-101.34	300.28	4.35	-96.99
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010898372	1	28	-2.0	-101.58	293.83	4.33	-97.25
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898384	1	30	-2.0	-102.54	304.26	5.44	-97.10
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010898389	0	28	-2.0	-104.85	279.74	3.62	-101.23
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010898400	1	30	-2.0	-97.64	312.82	4.82	-92.82
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010898420	0	30	-2.0	-99.21	308.54	4.44	-94.77
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010898421	1	30	-2.0	-95.86	304.81	4.32	-91.54
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010898422	1	28	-2.0	-100.37	288.65	4.59	-95.78
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898428	1	31	-2.0	-92.27	304.89	-0.17	-92.44
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010898445	0	28	-2.0	-109.75	281.02	4.07	-105.68
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010898453	1	28	-2.0	-107.78	280.62	3.80	-103.98
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010898455	1	37	-2.0	-102.33	353.30	5.26	-97.07
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010898456	1	30	-2.0	-102.83	306.26	5.06	-97.77
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898458	0	36	-2.0	-106.53	326.11	4.71	-101.82
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898467	1	34	-2.0	-110.90	332.45	5.94	-104.96
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010898481	1	31	-2.0	-116.58	298.98	2.68	-113.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010898484	0	32	-2.0	-91.10	308.56	2.99	-88.11
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898487	1	29	-2.0	-98.50	305.00	4.16	-94.34
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010898517	1	31	-2.0	-105.99	297.62	2.05	-103.94
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898518	1	30	-2.0	-102.06	302.66	5.39	-96.67
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010898530	1	31	-2.0	-104.84	294.89	3.67	-101.17
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010898531	1	31	-2.0	-110.63	313.03	5.15	-105.48
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898532	1	42	-2.0	-93.57	373.54	1.74	-91.83
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898572	1	34	-2.0	-108.25	334.21	4.38	-103.87
NC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010898592	1	32	-2.0	-102.09	314.93	0.67	-101.42
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010898603	1	27	-2.0	-111.19	270.34	2.12	-109.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898611	1	34	-2.0	-107.85	323.55	3.95	-103.90
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898622	1	34	-2.0	-102.08	316.45	2.57	-99.51
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010898635	1	27	-2.0	-102.10	280.99	1.88	-100.22
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)OC=C1	REAL300010898639	0	31	-2.0	-114.89	292.39	2.58	-112.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300010898643	0	30	-2.0	-120.43	287.02	2.12	-118.31
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010898650	1	28	-2.0	-103.09	274.67	0.73	-102.36
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010898667	1	25	-2.0	-110.66	258.39	1.22	-109.44
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010898669	1	27	-2.0	-100.79	283.72	2.41	-98.38
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010898670	1	27	-2.0	-104.52	276.04	1.81	-102.71
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010898684	0	31	-2.0	-109.84	306.26	4.35	-105.49
CN1N=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010898685	1	31	-2.0	-102.73	293.35	1.86	-100.87
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898697	1	31	-2.0	-120.61	289.39	0.89	-119.72
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898715	1	32	-2.0	-112.86	307.66	3.45	-109.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010898734	0	36	-2.0	-107.92	307.20	3.14	-104.78
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010898743	0	25	-2.0	-105.53	260.40	1.89	-103.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898753	1	32	-2.0	-109.23	298.69	3.86	-105.37
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898772	0	31	-2.0	-98.40	317.65	2.59	-95.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898776	0	31	-2.0	-96.81	288.82	3.82	-92.99
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010898779	1	31	-2.0	-115.24	288.13	2.43	-112.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010898781	0	29	-2.0	-90.24	302.30	3.02	-87.22
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898804	1	25	-2.0	-102.59	263.04	1.94	-100.65
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010898828	1	28	-2.0	-101.40	282.52	2.43	-98.97
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010898841	1	31	-2.0	-109.86	317.07	5.22	-104.64
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010898845	1	33	-2.0	-109.65	321.79	4.73	-104.92
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010898848	1	34	-2.0	-102.49	331.00	4.79	-97.70
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010898854	0	28	-2.0	-106.16	288.47	4.12	-102.04
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898855	1	30	-2.0	-100.38	300.02	2.48	-97.90
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898858	1	30	-2.0	-100.38	300.02	2.48	-97.90
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898861	1	32	-2.0	-115.81	310.49	4.23	-111.58
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010898864	1	28	-2.0	-103.82	286.19	3.82	-100.00
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010898872	1	37	-2.0	-113.76	333.41	2.39	-111.37
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898888	1	34	-2.0	-92.19	319.92	1.13	-91.06
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N[N-]1	REAL300010898888	1	34	-2.0	-92.17	320.03	1.13	-91.04
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898890	0	31	-2.0	-99.42	312.92	2.50	-96.92
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898893	1	32	-2.0	-109.81	309.31	4.46	-105.35
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898895	1	32	-2.0	-110.63	296.68	2.80	-107.83
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010898900	1	25	-2.0	-97.11	283.81	3.32	-93.79
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010898906	1	25	-2.0	-104.21	277.15	3.24	-100.97
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898909	1	31	-2.0	-120.61	289.39	0.89	-119.72
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010898936	0	26	-2.0	-106.63	271.66	1.03	-105.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898943	1	37	-2.0	-94.69	341.07	1.41	-93.28
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010898947	0	27	-2.0	-110.83	280.58	1.97	-108.86
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010898969	1	30	-2.0	-113.70	282.02	2.80	-110.90
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010898973	0	27	-2.0	-104.49	286.72	2.62	-101.87
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898984	1	34	-2.0	-107.17	328.27	5.33	-101.84
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898986	1	34	-2.0	-123.51	308.04	4.91	-118.60
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010898992	0	24	-2.0	-97.35	262.65	1.63	-95.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010899000	0	33	-2.0	-96.44	309.34	3.48	-92.96
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010901255	1	24	-2.0	-111.30	247.89	1.49	-109.81
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901271	1	33	-2.0	-113.12	320.41	4.19	-108.93
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901272	1	27	-2.0	-107.43	292.75	4.41	-103.02
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])S1	REAL300010901282	0	30	-2.0	-107.16	311.70	3.12	-104.04
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010901303	1	27	-2.0	-109.63	291.22	4.36	-105.27
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010901312	1	27	-2.0	-110.68	285.13	3.90	-106.78
CC(C)([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010901316	1	27	-2.0	-109.63	278.68	3.88	-105.75
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901323	1	29	-2.0	-113.07	288.24	4.92	-108.15
CC(C)([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010901326	0	27	-2.0	-114.16	264.59	3.17	-110.99
CC(C)([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901336	1	29	-2.0	-104.57	297.31	4.38	-100.19
CC(C)([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010901355	0	29	-2.0	-108.32	293.40	3.99	-104.33
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010901356	1	29	-2.0	-104.39	289.67	3.87	-100.52
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010901357	1	27	-2.0	-109.16	273.53	4.16	-105.00
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901363	1	30	-2.0	-90.93	279.10	-1.21	-92.14
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010901380	0	27	-2.0	-118.19	265.85	3.63	-114.56
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010901389	1	36	-2.0	-111.62	338.16	4.81	-106.81
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010901390	1	29	-2.0	-113.15	291.05	4.62	-108.53
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901392	0	35	-2.0	-114.92	310.87	4.26	-110.66
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901400	1	33	-2.0	-121.20	316.82	5.44	-115.76
CC1=NC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010901411	1	30	-2.0	-126.34	284.98	2.25	-124.09
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010901414	1	28	-2.0	-107.68	289.48	3.74	-103.94
CN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010901443	1	30	-2.0	-117.21	283.50	1.66	-115.55
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901444	1	29	-2.0	-112.79	283.53	4.83	-107.96
CC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010901454	1	30	-2.0	-114.73	279.68	3.23	-111.50
CC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010901455	1	30	-2.0	-121.00	294.81	4.83	-116.17
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300010901456	1	41	-2.0	-96.30	359.22	1.15	-95.15
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901490	1	33	-2.0	-120.29	318.64	3.96	-116.33
CC(C)([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010901504	1	31	-2.0	-110.92	299.76	0.24	-110.68
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010901510	1	27	-2.0	-106.20	291.90	4.47	-101.73
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901521	1	33	-2.0	-119.59	308.31	3.52	-116.07
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])O1	REAL300010901529	1	33	-2.0	-112.77	300.95	2.14	-110.63
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010901541	1	26	-2.0	-113.51	265.48	1.44	-112.07
CC(C)([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010901553	1	27	-2.0	-113.63	259.18	0.29	-113.34
CC(C)([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010901570	1	24	-2.0	-121.18	242.84	0.78	-120.40
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010901572	1	26	-2.0	-109.11	268.55	1.97	-107.14
CC(C)([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010901583	0	30	-2.0	-120.18	291.09	3.91	-116.27
CN1N=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010901584	1	30	-2.0	-111.71	276.67	1.40	-110.31
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901610	1	31	-2.0	-123.99	292.44	3.01	-120.98
CC(C)([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010901631	0	24	-2.0	-115.30	245.28	1.45	-113.85
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901640	1	31	-2.0	-118.76	283.49	3.39	-115.37
CC(C)(NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010901655	1	43	-2.0	-83.08	380.25	1.85	-81.23
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901657	0	30	-2.0	-108.49	302.15	2.14	-106.35
CC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010901661	0	30	-2.0	-92.56	274.36	3.21	-89.35
CC(C)([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010901664	1	30	-2.0	-124.80	272.94	1.95	-122.85
CC(C)([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010901700	1	27	-2.0	-109.66	267.36	1.99	-107.67
CC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010901715	1	32	-2.0	-119.59	306.27	4.29	-115.30
CC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010901716	1	33	-2.0	-113.70	320.77	4.09	-109.61
CC(C)([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010901720	0	27	-2.0	-116.08	273.32	3.67	-112.41
CC(C)([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010901721	1	29	-2.0	-111.66	284.52	2.04	-109.62
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901725	1	31	-2.0	-125.22	295.34	3.74	-121.48
CC(C)([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010901728	1	27	-2.0	-112.34	271.05	3.37	-108.97
CC1=NC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010901735	1	36	-2.0	-131.84	319.56	1.76	-130.08
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901745	1	33	-2.0	-92.46	296.07	0.39	-92.07
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=N[N-]1	REAL300010901745	1	33	-2.0	-92.42	296.22	0.40	-92.02
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901747	0	30	-2.0	-107.83	298.08	2.05	-105.78
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901748	1	31	-2.0	-118.14	297.65	3.98	-114.16
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010901753	1	24	-2.0	-105.79	268.59	2.87	-102.92
CC(C)([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010901758	1	24	-2.0	-112.85	262.01	2.81	-110.04
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901778	1	36	-2.0	-90.24	317.21	0.43	-89.81
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901799	1	33	-2.0	-116.76	310.81	4.83	-111.93
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901801	1	33	-2.0	-134.90	296.04	4.33	-130.57
CC(C)([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010901803	0	23	-2.0	-106.01	247.44	1.20	-104.81
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=CC=C(F)C=C1	REAL300010901830	1	31	-2.0	-135.35	306.76	5.35	-130.00
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1=CC=C(F)C=C1	REAL300010901877	1	31	-2.0	-129.86	308.16	5.99	-123.87
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1Cl	REAL300010901896	1	31	-2.0	-139.68	308.83	5.30	-134.38
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901923	1	35	-2.0	-132.15	329.01	5.97	-126.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010901949	1	34	-2.0	-121.42	330.90	4.52	-116.90
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901952	0	33	-2.0	-146.35	316.10	7.14	-139.21
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901984	0	33	-2.0	-141.85	324.19	7.67	-134.18
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010903553	1	27	-2.0	-117.77	274.04	2.03	-115.74
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010903561	1	30	-2.0	-128.23	285.71	4.11	-124.12
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010903620	1	30	-2.0	-116.56	315.62	4.35	-112.21
CCC(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010903625	1	30	-2.0	-114.62	309.16	4.35	-110.27
CCC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903637	1	32	-2.0	-118.00	319.50	5.50	-112.50
CCC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010903642	0	30	-2.0	-121.10	295.09	3.63	-117.47
CCC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903654	1	32	-2.0	-110.16	322.88	4.82	-105.34
CCC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010903675	0	32	-2.0	-112.39	319.55	4.54	-107.85
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010903676	1	32	-2.0	-109.86	320.16	4.32	-105.54
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010903677	1	30	-2.0	-112.53	299.50	4.69	-107.84
CCC(CNS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010903683	1	33	-2.0	-93.37	312.96	-0.06	-93.43
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010903702	0	30	-2.0	-120.36	291.45	4.06	-116.30
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010903710	1	30	-2.0	-121.62	291.31	3.78	-117.84
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010903712	1	39	-2.0	-117.65	368.64	5.25	-112.40
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010903713	1	32	-2.0	-117.39	321.55	5.06	-112.33
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(CC)C(=O)[O-]	REAL300010903715	0	38	-2.0	-122.18	342.24	4.73	-117.45
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010903724	1	36	-2.0	-131.11	351.35	5.82	-125.29
CCC(C[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010903738	1	33	-2.0	-131.39	314.61	2.67	-128.72
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010903741	0	34	-2.0	-99.62	308.51	3.17	-96.45
CCC(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010903744	1	31	-2.0	-113.50	319.97	4.17	-109.33
CCC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010903774	1	33	-2.0	-126.41	312.63	2.06	-124.35
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903775	1	32	-2.0	-117.92	315.11	5.38	-112.54
CCC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010903787	1	33	-2.0	-118.21	305.25	3.67	-114.54
CCC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010903788	1	33	-2.0	-128.13	325.29	5.27	-122.86
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(F)=C1	REAL300010903789	1	44	-2.0	-99.27	381.60	1.86	-97.41
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903829	1	36	-2.0	-130.27	349.12	4.39	-125.88
CCC(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010903850	1	34	-2.0	-113.28	325.32	0.67	-112.61
CCC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010903861	1	29	-2.0	-127.48	281.60	1.99	-125.49
CCC(C[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903869	1	36	-2.0	-129.45	338.80	3.95	-125.50
CCC(C[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010903881	1	36	-2.0	-117.73	331.44	2.59	-115.14
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010903894	1	29	-2.0	-122.61	295.97	1.89	-120.72
CCC(C[N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010903898	0	33	-2.0	-131.54	307.38	2.60	-128.94
CCC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903902	0	32	-2.0	-137.76	302.35	2.12	-135.64
CCC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010903909	1	30	-2.0	-122.54	289.67	0.74	-121.80
CCC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010903927	1	27	-2.0	-129.13	274.46	1.15	-127.98
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010903929	1	29	-2.0	-112.77	294.12	2.42	-110.35
CCC(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010903930	1	29	-2.0	-122.42	291.37	1.82	-120.60
CCC(C[N-]S(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010903938	1	36	-2.0	-154.37	318.39	0.83	-153.54
CCC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010903945	0	33	-2.0	-123.03	316.66	4.35	-118.68
CCC(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010903946	1	33	-2.0	-114.38	301.28	1.90	-112.48
CCC(C[N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010903957	1	33	-2.0	-137.26	301.35	0.78	-136.48
CCC(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010903960	1	39	-2.0	-147.93	333.02	1.34	-146.59
CCC(C[N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010903975	1	34	-2.0	-125.90	318.04	3.43	-122.47
CCC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010903994	0	38	-2.0	-101.39	316.80	3.28	-98.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915203	1	33	-2.0	-94.60	318.18	1.23	-93.37
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010915261	0	34	-2.0	-96.32	315.70	4.50	-91.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915309	1	44	-2.0	-98.72	390.04	3.25	-95.47
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010915514	0	38	-2.0	-101.70	318.76	4.42	-97.28
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010915561	0	33	-2.0	-99.84	305.20	5.33	-94.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010915566	0	31	-2.0	-95.23	309.71	4.56	-90.67
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915682	1	36	-2.0	-106.50	331.71	2.48	-104.02
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=N[N-]1	REAL300010915682	1	36	-2.0	-106.41	331.81	2.48	-103.93
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915737	1	39	-2.0	-95.89	356.42	2.73	-93.16
CN(CCCC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010915796	0	35	-2.0	-104.18	324.26	4.80	-99.38
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010915820	1	31	-2.0	-119.79	289.67	4.01	-115.78
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010915825	0	31	-2.0	-131.15	280.47	4.12	-127.03
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010915848	1	31	-2.0	-122.16	283.51	3.95	-118.21
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010915850	1	28	-2.0	-112.16	294.48	3.98	-108.18
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010915856	1	31	-2.0	-114.77	312.30	5.66	-109.11
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010915861	0	31	-2.0	-114.55	304.09	4.55	-110.00
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010915863	1	31	-2.0	-114.34	304.09	4.54	-109.80
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010915864	1	31	-2.0	-113.13	289.78	4.01	-109.12
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010915877	0	31	-2.0	-119.94	286.87	4.19	-115.75
CN1C=NC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1Cl	REAL300010915892	1	31	-2.0	-128.99	285.94	4.00	-124.99
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010915929	1	35	-2.0	-125.51	309.24	4.25	-121.26
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(F)=C1Cl	REAL300010915948	0	38	-2.0	-126.98	351.61	3.58	-123.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(Br)O1	REAL300010915953	1	34	-2.0	-108.89	333.12	3.16	-105.73
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])O1	REAL300010915967	1	34	-2.0	-117.39	311.13	2.61	-114.78
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010915970	0	33	-2.0	-134.42	298.86	5.42	-129.00
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010915973	1	31	-2.0	-123.95	288.10	5.38	-118.57
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010915982	0	33	-2.0	-118.81	315.25	7.19	-111.62
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010916386	1	28	-2.0	-117.40	275.97	2.54	-114.86
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010916396	1	31	-2.0	-125.07	284.52	5.23	-119.84
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010916459	1	31	-2.0	-114.61	306.75	4.96	-109.65
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010916475	0	31	-2.0	-118.87	294.89	4.19	-114.68
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010916489	1	33	-2.0	-106.55	325.38	5.45	-101.10
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010916510	0	33	-2.0	-112.46	321.48	5.06	-107.40
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010916512	1	33	-2.0	-107.32	314.62	5.54	-101.78
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010916513	1	31	-2.0	-113.65	301.97	5.22	-108.43
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916520	1	34	-2.0	-98.73	320.45	0.44	-98.29
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010916541	0	31	-2.0	-119.99	293.96	4.67	-115.32
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010916549	1	31	-2.0	-122.50	293.84	4.40	-118.10
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010916551	1	40	-2.0	-116.49	366.22	5.86	-110.63
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010916552	1	33	-2.0	-119.40	319.14	5.67	-113.73
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916554	0	39	-2.0	-119.84	339.70	5.29	-114.55
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916563	1	37	-2.0	-122.58	341.88	7.18	-115.40
CC1=NC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(Br)N1C	REAL300010916577	1	34	-2.0	-132.84	312.21	3.26	-129.58
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010916581	0	35	-2.0	-98.67	305.89	4.26	-94.41
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C=C1Br	REAL300010916583	1	32	-2.0	-112.62	317.56	4.78	-107.84
CN1C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010916615	1	34	-2.0	-123.32	310.22	2.67	-120.65
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010916616	1	33	-2.0	-118.08	312.70	5.96	-112.12
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010916629	1	34	-2.0	-119.89	307.76	4.28	-115.61
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010916630	1	34	-2.0	-125.06	326.24	5.74	-119.32
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010916636	1	28	-2.0	-119.68	273.69	3.95	-115.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916675	1	37	-2.0	-127.43	346.74	5.00	-122.43
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010916706	1	30	-2.0	-128.40	284.11	2.61	-125.79
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916715	1	37	-2.0	-126.59	336.41	4.56	-122.03
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])O1	REAL300010916727	1	37	-2.0	-118.50	329.02	3.20	-115.30
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010916738	1	30	-2.0	-119.97	293.55	2.49	-117.48
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])OC=C1	REAL300010916742	0	34	-2.0	-128.96	304.96	3.16	-125.80
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=N1	REAL300010916746	0	33	-2.0	-135.96	298.68	2.82	-133.14
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010916754	1	31	-2.0	-116.45	284.60	1.85	-114.60
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010916773	1	28	-2.0	-128.30	272.05	1.75	-126.55
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010916775	1	30	-2.0	-112.99	296.62	3.03	-109.96
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010916776	1	30	-2.0	-119.60	288.95	2.42	-117.18
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010916777	1	30	-2.0	-118.77	278.50	1.93	-116.84
O=C([O-])C1CCCC1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010916782	1	35	-2.0	-151.87	299.61	1.70	-150.17
CCS(=O)(CC)=NS(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916785	1	37	-2.0	-147.11	316.37	1.41	-145.70
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010916793	0	34	-2.0	-125.32	319.17	4.97	-120.35
CN1N=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010916794	1	34	-2.0	-114.90	302.80	3.10	-111.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010916804	0	32	-2.0	-100.03	273.59	3.33	-96.70
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916806	1	34	-2.0	-136.91	303.86	1.35	-135.56
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916810	1	40	-2.0	-152.24	335.52	1.87	-150.37
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916827	1	35	-2.0	-125.60	322.74	4.02	-121.58
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010916852	0	39	-2.0	-105.84	323.94	3.57	-102.27
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010916862	0	28	-2.0	-119.76	273.34	2.50	-117.26
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916874	1	35	-2.0	-125.14	308.02	4.45	-120.69
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1	REAL300010916897	0	34	-2.0	-114.32	332.45	3.16	-111.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916901	0	34	-2.0	-102.42	295.48	4.76	-97.66
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010916904	1	34	-2.0	-129.46	301.03	3.03	-126.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010916907	0	32	-2.0	-108.23	317.82	3.55	-104.68
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010916938	1	28	-2.0	-117.40	275.97	2.54	-114.86
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010916965	1	31	-2.0	-115.87	295.44	3.03	-112.84
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010916983	1	36	-2.0	-124.22	336.56	5.31	-118.91
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010916987	0	32	-2.0	-100.03	273.59	3.33	-96.70
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010916988	1	37	-2.0	-118.55	348.84	5.15	-113.40
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010916994	0	31	-2.0	-121.14	301.76	4.74	-116.40
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916995	1	33	-2.0	-118.05	312.59	3.10	-114.95
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916998	1	33	-2.0	-118.05	312.59	3.10	-114.95
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917000	1	35	-2.0	-131.83	323.43	4.79	-127.04
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010921671	1	28	-2.0	-117.05	273.14	3.17	-113.88
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010921681	1	31	-2.0	-126.79	286.26	5.20	-121.59
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010921744	1	31	-2.0	-113.62	304.79	5.34	-108.28
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010921760	0	31	-2.0	-118.05	290.01	4.86	-113.19
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010921774	1	33	-2.0	-108.01	323.97	6.03	-101.98
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010921795	0	33	-2.0	-112.96	319.95	5.65	-107.31
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010921797	1	33	-2.0	-109.33	315.75	5.32	-104.01
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010921798	1	31	-2.0	-113.52	300.30	5.52	-108.00
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921805	1	34	-2.0	-106.77	317.18	0.75	-106.02
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010921826	0	31	-2.0	-120.21	291.25	5.29	-114.92
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010921834	1	31	-2.0	-122.76	291.85	4.79	-117.97
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010921836	1	40	-2.0	-117.22	364.23	6.25	-110.97
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010921837	1	33	-2.0	-116.89	316.45	6.29	-110.60
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921839	0	39	-2.0	-120.39	337.43	5.71	-114.68
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921848	1	37	-2.0	-125.91	343.59	7.15	-118.76
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300010921862	1	34	-2.0	-132.38	310.78	3.86	-128.52
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010921866	0	35	-2.0	-110.50	316.49	4.62	-105.88
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921868	1	32	-2.0	-112.40	315.56	5.17	-107.23
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010921900	1	34	-2.0	-122.54	310.05	3.31	-119.23
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010921901	1	33	-2.0	-115.53	310.03	6.58	-108.95
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010921914	1	34	-2.0	-122.17	305.80	4.68	-117.49
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010921915	1	34	-2.0	-124.95	322.58	6.42	-118.53
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010921921	1	28	-2.0	-118.66	273.57	4.08	-114.58
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010921960	1	37	-2.0	-126.84	345.21	5.59	-121.25
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010921991	1	30	-2.0	-125.90	280.10	3.35	-122.55
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010922000	1	37	-2.0	-125.97	334.88	5.15	-120.82
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010936316	1	30	-2.0	-101.05	297.26	4.31	-96.74
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010936321	1	30	-2.0	-100.24	290.81	4.30	-95.94
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010936333	1	32	-2.0	-103.06	303.73	5.40	-97.66
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010936338	0	30	-2.0	-104.62	276.72	3.58	-101.04
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010936350	1	32	-2.0	-96.62	309.44	4.79	-91.83
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010936371	0	32	-2.0	-99.12	305.53	4.40	-94.72
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010936372	1	32	-2.0	-95.20	301.80	4.28	-90.92
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010936373	1	30	-2.0	-100.02	285.66	4.57	-95.45
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936379	1	33	-2.0	-90.94	293.31	-0.64	-91.58
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010936398	0	30	-2.0	-108.64	277.98	4.04	-104.60
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010936406	1	30	-2.0	-107.43	277.87	3.75	-103.68
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010936408	1	39	-2.0	-102.07	350.29	5.22	-96.85
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010936409	1	32	-2.0	-103.90	303.19	5.03	-98.87
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936411	0	38	-2.0	-106.01	322.99	4.64	-101.37
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936420	1	36	-2.0	-111.33	328.96	5.85	-105.48
CC1=NC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(Br)N1C	REAL300010936434	1	33	-2.0	-115.90	297.11	2.66	-113.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010936437	0	34	-2.0	-89.43	298.72	2.46	-86.97
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010936440	1	31	-2.0	-98.76	301.61	4.15	-94.61
CN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300010936470	1	33	-2.0	-107.11	295.63	2.07	-105.04
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010936471	1	32	-2.0	-102.95	299.31	5.31	-97.64
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010936483	1	33	-2.0	-104.35	291.81	3.64	-100.71
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010936484	1	33	-2.0	-110.48	306.94	5.24	-105.24
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936485	1	44	-2.0	-93.92	372.53	1.56	-92.36
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936525	1	36	-2.0	-109.57	330.77	4.37	-105.20
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010936546	1	34	-2.0	-101.14	311.88	0.65	-100.49
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010936557	1	29	-2.0	-113.08	268.16	1.98	-111.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936565	1	36	-2.0	-109.03	320.44	3.93	-105.10
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])O1	REAL300010936577	1	36	-2.0	-102.68	313.08	2.55	-100.13
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010936590	1	29	-2.0	-103.13	277.61	1.85	-101.28
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])OC=C1	REAL300010936594	0	33	-2.0	-114.99	289.02	2.52	-112.47
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=N1	REAL300010936598	0	32	-2.0	-119.17	282.73	2.13	-117.04
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010936605	1	30	-2.0	-103.81	271.31	0.70	-103.11
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010936623	1	27	-2.0	-112.59	256.10	1.14	-111.45
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010936625	1	29	-2.0	-100.12	280.68	2.38	-97.74
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010936626	1	29	-2.0	-102.99	273.01	1.77	-101.22
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010936641	0	33	-2.0	-109.42	303.22	4.32	-105.10
CN1N=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1C(F)(F)F	REAL300010936642	1	33	-2.0	-102.49	288.80	1.81	-100.68
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936653	1	33	-2.0	-120.79	286.63	0.81	-119.98
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936671	1	34	-2.0	-114.01	304.60	3.42	-110.59
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010936690	0	38	-2.0	-93.37	297.13	3.05	-90.32
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010936701	0	27	-2.0	-105.36	257.40	1.86	-103.50
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936712	1	34	-2.0	-109.85	295.62	3.80	-106.05
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1	REAL300010936732	0	33	-2.0	-98.74	314.27	2.55	-96.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010936737	0	33	-2.0	-97.57	287.75	3.60	-93.97
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010936740	1	33	-2.0	-114.95	285.07	2.36	-112.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010936742	0	31	-2.0	-88.14	292.73	2.51	-85.63
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010936770	1	27	-2.0	-101.68	260.02	1.90	-99.78
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010936794	1	30	-2.0	-99.91	279.49	2.40	-97.51
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010936807	1	33	-2.0	-109.52	310.41	5.37	-104.15
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010936811	1	35	-2.0	-109.22	318.41	4.71	-104.51
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010936815	1	36	-2.0	-104.76	332.89	4.51	-100.25
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010936821	0	30	-2.0	-106.38	285.45	4.08	-102.30
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936822	1	32	-2.0	-101.38	296.65	2.45	-98.93
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936825	1	32	-2.0	-101.38	296.65	2.45	-98.93
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936828	1	34	-2.0	-115.14	307.50	4.15	-110.99
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010936831	1	30	-2.0	-102.18	283.18	3.78	-98.40
CC1=NC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010936840	1	39	-2.0	-119.66	331.69	2.17	-117.49
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936858	1	36	-2.0	-92.20	309.48	0.85	-91.35
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=N[N-]1	REAL300010936858	1	36	-2.0	-92.15	309.67	0.84	-91.31
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1	REAL300010936860	0	33	-2.0	-98.23	310.20	2.46	-95.77
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936863	1	34	-2.0	-109.15	309.77	4.39	-104.76
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936865	1	34	-2.0	-111.11	293.63	2.75	-108.36
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010936870	1	27	-2.0	-96.86	280.72	3.28	-93.58
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010936876	1	27	-2.0	-104.29	274.14	3.23	-101.06
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936879	1	33	-2.0	-120.79	286.63	0.81	-119.98
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010936906	0	28	-2.0	-106.58	268.65	0.98	-105.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936913	1	39	-2.0	-92.27	330.70	0.84	-91.43
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010936917	0	29	-2.0	-111.23	277.49	1.94	-109.29
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010936940	1	32	-2.0	-115.04	280.91	2.47	-112.57
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010936944	0	29	-2.0	-103.85	283.68	2.59	-101.26
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936956	1	36	-2.0	-107.45	322.93	5.23	-102.22
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936958	1	36	-2.0	-123.96	308.17	4.74	-119.22
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010936964	0	26	-2.0	-97.02	259.57	1.61	-95.41
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010936967	1	32	-2.0	-124.26	275.93	2.37	-121.89
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010936972	0	35	-2.0	-97.11	301.69	2.73	-94.38
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Br)O3)(C1)C2	REAL300010938712	1	26	-2.0	-101.88	274.16	2.10	-99.78
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC=C3Cl)(C1)C2	REAL300010938722	1	29	-2.0	-113.14	285.84	4.22	-108.92
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C(Br)C=C3F)(C1)C2	REAL300010938780	1	29	-2.0	-101.21	311.40	4.52	-96.69
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Cl)C(F)=C3Cl)(C1)C2	REAL300010938786	1	29	-2.0	-100.77	304.96	4.53	-96.24
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C(F)=CC(F)=C3F)(C1)C2	REAL300010938802	0	29	-2.0	-105.16	290.87	3.79	-101.37
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC([N+](=O)[O-])=C(Cl)C=C3Cl)(C1)C2	REAL300010938815	1	31	-2.0	-97.58	323.58	5.00	-92.58
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC([N+](=O)[O-])=CC(Cl)=C3F)(C1)C2	REAL300010938836	0	31	-2.0	-99.73	319.65	4.64	-95.09
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C([N+](=O)[O-])C=C3F)(C1)C2	REAL300010938837	1	31	-2.0	-95.81	315.92	4.52	-91.29
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=C(F)C=C3Cl)(C1)C2	REAL300010938838	1	29	-2.0	-100.83	299.80	4.77	-96.06
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938844	1	32	-2.0	-96.68	308.27	-0.02	-96.70
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC(F)=C3F)(C1)C2	REAL300010938865	0	29	-2.0	-109.28	292.16	4.25	-105.03
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=CC=C3F)(C1)C2	REAL300010938873	1	29	-2.0	-107.99	292.02	3.96	-104.03
CCOC(=O)C1=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(F)C=C1Cl	REAL300010938875	1	38	-2.0	-102.26	364.40	5.45	-96.81
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC([N+](=O)[O-])=C3Cl)(C1)C2	REAL300010938876	1	31	-2.0	-104.58	317.34	5.22	-99.36
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938878	0	37	-2.0	-106.72	337.91	4.90	-101.82
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938887	1	35	-2.0	-112.07	343.20	6.16	-105.91
CC1=NC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(Br)N1C	REAL300010938901	1	32	-2.0	-115.84	310.40	2.86	-112.98
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3[O-])(C1)C2	REAL300010938905	0	33	-2.0	-90.95	316.89	3.34	-87.61
N#CC1=CC(F)=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938907	1	30	-2.0	-99.30	315.76	4.34	-94.96
CN1C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)=N1	REAL300010938938	1	32	-2.0	-107.18	308.42	2.26	-104.92
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C=C3[N+](=O)[O-])(C1)C2	REAL300010938939	1	31	-2.0	-103.68	313.44	5.63	-98.05
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)(C1)C2	REAL300010938952	1	32	-2.0	-104.30	305.97	3.85	-100.45
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C4=CC=CC=C4S3)(C1)C2	REAL300010938953	1	32	-2.0	-110.40	321.07	5.46	-104.94
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CS3)(C1)C2	REAL300010938959	1	26	-2.0	-107.68	277.76	2.87	-104.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010938999	1	35	-2.0	-109.39	344.91	4.59	-104.80
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946373	1	22	-2.0	-123.28	239.92	1.98	-121.30
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946388	1	31	-2.0	-123.75	312.42	4.64	-119.11
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(Cl)C=C2Cl)CC1	REAL300010946389	1	25	-2.0	-119.31	284.79	4.88	-114.43
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)S1	REAL300010946399	0	28	-2.0	-120.18	301.14	3.67	-116.51
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)C(Cl)=C2Cl)CC1	REAL300010946419	1	25	-2.0	-119.82	283.25	4.83	-114.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010946429	1	25	-2.0	-122.63	277.15	4.38	-118.25
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010946432	1	25	-2.0	-119.15	270.71	4.35	-114.80
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946439	1	27	-2.0	-123.93	283.61	5.27	-118.66
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010946443	0	25	-2.0	-126.60	256.62	3.62	-122.98
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010946452	1	27	-2.0	-117.88	289.34	4.85	-113.03
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010946470	0	27	-2.0	-120.11	285.41	4.47	-115.64
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010946471	1	27	-2.0	-115.18	281.69	4.35	-110.83
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010946472	1	25	-2.0	-118.94	265.56	4.57	-114.37
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946477	1	28	-2.0	-101.43	284.26	-0.85	-102.28
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010946495	0	25	-2.0	-131.50	257.89	4.06	-127.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010946504	1	34	-2.0	-123.01	330.18	5.27	-117.74
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010946505	1	27	-2.0	-121.91	283.08	5.03	-116.88
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946507	0	33	-2.0	-125.57	309.23	4.03	-121.54
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946515	1	31	-2.0	-131.84	308.95	5.90	-125.94
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010946526	1	28	-2.0	-137.87	277.25	2.61	-135.26
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010946528	0	29	-2.0	-104.13	281.62	2.07	-102.06
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C=C1Br	REAL300010946530	1	26	-2.0	-118.89	281.51	4.19	-114.70
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010946557	1	28	-2.0	-125.25	274.15	2.10	-123.15
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946558	1	27	-2.0	-123.76	279.19	5.19	-118.57
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010946567	1	28	-2.0	-134.62	290.19	5.17	-129.45
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946568	1	39	-2.0	-111.54	346.82	1.54	-110.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946603	1	31	-2.0	-132.01	310.68	4.42	-127.59
NC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010946617	1	29	-2.0	-119.81	291.78	0.70	-119.11
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C=C2Br)CC1	REAL300010946622	1	25	-2.0	-116.41	283.93	4.91	-111.50
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010946628	1	24	-2.0	-134.45	246.81	2.16	-132.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946636	1	31	-2.0	-131.32	300.36	3.97	-127.35
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)O1	REAL300010946644	1	31	-2.0	-124.18	292.97	2.63	-121.55
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010946656	1	24	-2.0	-123.88	257.50	1.90	-121.98
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010946684	1	22	-2.0	-130.78	234.90	1.21	-129.57
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010946686	1	24	-2.0	-119.74	260.58	2.44	-117.30
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CC1	REAL300010946698	0	28	-2.0	-131.96	284.21	4.32	-127.64
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010946699	1	28	-2.0	-122.77	269.87	1.90	-120.87
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946723	1	29	-2.0	-137.27	284.48	3.45	-133.82
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010946744	0	22	-2.0	-124.27	236.20	1.94	-122.33
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946753	1	29	-2.0	-132.55	272.00	3.88	-128.67
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C2)CC1	REAL300010946769	1	41	-2.0	-95.25	383.53	2.14	-93.11
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946771	0	28	-2.0	-117.55	294.17	2.63	-114.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946775	0	28	-2.0	-101.95	262.00	3.62	-98.33
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010946778	1	28	-2.0	-138.85	264.98	2.28	-136.57
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010946779	0	26	-2.0	-104.79	280.13	2.00	-102.79
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946796	1	22	-2.0	-123.28	239.92	1.98	-121.30
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)CC1	REAL300010946827	1	28	-2.0	-133.15	294.22	5.26	-127.89
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CC1	REAL300010946831	1	30	-2.0	-128.44	298.30	4.72	-123.72
O=C([O-])C1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CC1	REAL300010946832	1	31	-2.0	-127.74	313.00	4.55	-123.19
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010946836	0	25	-2.0	-128.64	265.35	4.12	-124.52
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946837	1	27	-2.0	-121.80	276.54	2.51	-119.29
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946840	1	27	-2.0	-121.80	276.54	2.51	-119.29
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946843	1	29	-2.0	-137.49	287.37	4.03	-133.46
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010946846	1	25	-2.0	-121.50	263.08	3.84	-117.66
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010946852	1	34	-2.0	-139.96	308.93	2.45	-137.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946862	1	31	-2.0	-107.84	292.90	0.31	-107.53
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=N[N-]1	REAL300010946862	1	31	-2.0	-107.78	293.11	0.32	-107.46
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946864	0	28	-2.0	-116.80	290.10	2.53	-114.27
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946865	1	29	-2.0	-130.47	286.15	4.23	-126.24
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1	REAL300010946867	1	29	-2.0	-133.77	273.53	2.80	-130.97
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010946871	1	22	-2.0	-116.74	260.62	3.34	-113.40
O=C([O-])C1([N-]S(=O)(=O)C2=C(I)C=CS2)CC1	REAL300010946876	1	22	-2.0	-121.78	249.55	3.44	-118.34
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010946898	0	23	-2.0	-127.81	248.55	1.06	-126.75
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946904	1	34	-2.0	-100.81	311.14	0.35	-100.46
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010946908	0	24	-2.0	-133.75	256.43	2.11	-131.64
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010946925	1	27	-2.0	-135.31	258.54	2.70	-132.61
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010946929	0	24	-2.0	-126.04	264.85	2.55	-123.49
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946942	1	31	-2.0	-128.76	303.28	5.09	-123.67
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946944	1	31	-2.0	-148.65	284.87	4.88	-143.77
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010946949	0	21	-2.0	-118.05	242.97	1.51	-116.54
O=C([O-])C1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010946953	0	30	-2.0	-121.51	290.56	2.71	-118.80
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010946968	1	27	-2.0	-111.70	293.05	4.71	-106.99
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010946993	1	24	-2.0	-111.03	270.97	2.95	-108.08
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010946997	1	27	-2.0	-111.69	288.48	4.61	-107.08
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010946999	0	27	-2.0	-111.48	280.60	3.52	-107.96
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010947439	1	24	-2.0	-112.08	252.51	1.52	-110.56
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947455	1	33	-2.0	-116.12	325.03	4.23	-111.89
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010947456	1	27	-2.0	-109.89	297.38	4.44	-105.45
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])S1	REAL300010947466	0	30	-2.0	-109.87	316.32	3.15	-106.72
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010947487	1	27	-2.0	-110.46	295.85	4.40	-106.06
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010947497	1	27	-2.0	-112.19	289.73	3.94	-108.25
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010947501	1	27	-2.0	-110.02	283.31	3.92	-106.10
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010947508	1	29	-2.0	-112.36	292.60	4.96	-107.40
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010947512	0	27	-2.0	-116.78	269.21	3.19	-113.59
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010947523	1	29	-2.0	-108.54	301.93	4.41	-104.13
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010947542	0	29	-2.0	-110.69	298.03	4.02	-106.67
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010947543	1	29	-2.0	-105.71	294.27	3.90	-101.81
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010947544	1	27	-2.0	-110.44	278.15	4.17	-106.27
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947550	1	30	-2.0	-96.13	292.37	-0.71	-96.84
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010947567	0	27	-2.0	-122.92	270.47	3.65	-119.27
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010947576	1	36	-2.0	-113.48	342.78	4.83	-108.65
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010947577	1	29	-2.0	-117.12	295.69	4.64	-112.48
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947579	0	35	-2.0	-116.46	315.80	4.24	-112.22
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947587	1	33	-2.0	-121.12	321.46	5.46	-115.66
CC1=NC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(Br)N1C	REAL300010947598	1	30	-2.0	-125.94	288.74	2.24	-123.70
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010947600	0	31	-2.0	-101.45	284.60	2.56	-98.89
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010947602	1	28	-2.0	-109.11	294.09	3.75	-105.36
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010947631	1	30	-2.0	-116.68	286.77	1.63	-115.05
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010947632	1	29	-2.0	-112.11	288.16	4.86	-107.25
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010947642	1	30	-2.0	-116.30	284.31	3.24	-113.06
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010947643	1	30	-2.0	-123.08	299.43	4.85	-118.23
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947644	1	41	-2.0	-97.11	358.91	1.09	-96.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947679	1	33	-2.0	-119.78	323.26	3.97	-115.81
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010947693	1	31	-2.0	-111.07	304.38	0.25	-110.82
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010947699	1	27	-2.0	-108.97	296.53	4.49	-104.48
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010947705	1	26	-2.0	-124.66	260.66	1.57	-123.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947713	1	33	-2.0	-119.30	312.94	3.53	-115.77
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])O1	REAL300010947721	1	33	-2.0	-113.45	305.57	2.16	-111.29
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010947733	1	26	-2.0	-113.02	270.10	1.46	-111.56
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010947745	1	27	-2.0	-113.00	263.78	0.31	-112.69
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010947762	1	24	-2.0	-124.34	248.58	0.73	-123.61
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010947764	1	26	-2.0	-110.72	273.17	2.00	-108.72
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010947776	0	30	-2.0	-124.59	299.29	3.76	-120.83
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010947777	1	30	-2.0	-113.69	281.28	1.42	-112.27
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947804	1	31	-2.0	-123.04	297.09	3.02	-120.02
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010947826	0	24	-2.0	-115.98	248.80	1.51	-114.47
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947835	1	31	-2.0	-123.63	284.59	3.45	-120.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010947851	1	43	-2.0	-91.25	392.26	2.29	-88.96
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947853	0	30	-2.0	-109.49	306.77	2.17	-107.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010947857	0	30	-2.0	-102.17	274.10	3.16	-99.01
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010947860	1	30	-2.0	-128.89	277.57	2.00	-126.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010947861	0	28	-2.0	-99.90	278.59	2.60	-97.30
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010947881	1	24	-2.0	-112.08	252.51	1.52	-110.56
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010947902	1	27	-2.0	-110.04	271.99	2.01	-108.03
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010947916	1	30	-2.0	-121.30	302.91	4.98	-116.32
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010947920	1	32	-2.0	-122.15	310.89	4.32	-117.83
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010947921	1	33	-2.0	-117.76	325.01	4.04	-113.72
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010947925	0	27	-2.0	-118.62	277.94	3.69	-114.93
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947926	1	29	-2.0	-111.07	289.14	2.06	-109.01
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947929	1	29	-2.0	-111.07	289.14	2.06	-109.01
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947932	1	31	-2.0	-129.61	299.96	3.76	-125.85
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010947935	1	27	-2.0	-112.01	275.65	3.40	-108.61
CC1=NC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010947942	1	36	-2.0	-132.10	322.58	1.96	-130.14
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947953	1	33	-2.0	-101.28	301.50	1.42	-99.86
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=N[N-]1	REAL300010947953	1	33	-2.0	-101.41	301.60	1.41	-100.00
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947955	0	30	-2.0	-108.70	302.69	2.06	-106.64
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947957	1	31	-2.0	-122.27	298.78	4.03	-118.24
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947959	1	31	-2.0	-124.01	286.11	2.36	-121.65
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010947963	1	24	-2.0	-108.42	273.21	2.88	-105.54
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010947968	1	24	-2.0	-115.20	266.63	2.83	-112.37
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010947991	0	25	-2.0	-119.05	261.46	0.50	-118.55
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947997	1	36	-2.0	-97.01	329.42	0.85	-96.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952789	1	34	-2.0	-107.96	304.01	1.14	-106.82
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010955120	1	25	-2.0	-122.13	254.06	2.58	-119.55
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300010955128	1	28	-2.0	-133.66	265.87	4.59	-129.07
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)S1	REAL300010955154	0	31	-2.0	-121.26	315.28	4.28	-116.98
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CCC1	REAL300010955187	1	28	-2.0	-122.89	291.28	4.98	-117.91
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300010955191	1	28	-2.0	-119.47	284.84	4.96	-114.51
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955203	1	30	-2.0	-122.55	293.78	5.97	-116.58
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCC1	REAL300010955208	0	28	-2.0	-125.69	272.32	4.06	-121.63
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300010955219	1	30	-2.0	-119.26	303.47	5.47	-113.79
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCC1	REAL300010955239	0	30	-2.0	-120.92	299.71	5.08	-115.84
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCC1	REAL300010955240	1	30	-2.0	-115.26	295.83	4.95	-110.31
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300010955241	1	28	-2.0	-119.29	279.90	5.17	-114.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955247	1	31	-2.0	-100.81	288.32	0.05	-100.76
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300010955264	0	28	-2.0	-124.86	273.60	4.49	-120.37
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300010955272	1	28	-2.0	-130.85	271.93	4.42	-126.43
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(F)C=C1Cl	REAL300010955274	1	37	-2.0	-123.87	344.32	5.88	-117.99
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCC1	REAL300010955275	1	30	-2.0	-118.53	298.79	5.48	-113.05
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955277	0	36	-2.0	-124.14	319.47	4.65	-119.49
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955286	1	34	-2.0	-129.90	327.08	5.85	-124.05
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(Br)N1C	REAL300010955300	1	31	-2.0	-141.08	290.29	3.31	-137.77
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCC1	REAL300010955303	0	32	-2.0	-103.57	294.62	3.32	-100.25
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C=C1Br	REAL300010955306	1	29	-2.0	-119.61	295.64	4.81	-114.80
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300010955336	1	31	-2.0	-125.39	288.31	2.71	-122.68
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955337	1	30	-2.0	-122.33	289.34	5.87	-116.46
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300010955349	1	31	-2.0	-125.89	285.85	4.32	-121.57
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300010955350	1	31	-2.0	-135.24	304.33	5.78	-129.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955351	1	42	-2.0	-115.91	355.54	1.94	-113.97
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1F	REAL300010955391	1	34	-2.0	-133.91	324.95	5.03	-128.88
NC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(F)C=C1Br	REAL300010955411	1	32	-2.0	-120.34	305.91	1.32	-119.02
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCC1	REAL300010955422	1	27	-2.0	-130.81	260.95	2.70	-128.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1F	REAL300010955430	1	34	-2.0	-133.12	314.62	4.59	-128.53
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)O1	REAL300010955441	1	34	-2.0	-125.89	307.12	3.23	-122.66
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCC1	REAL300010955454	1	27	-2.0	-125.82	271.79	2.52	-123.30
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)OC=C1	REAL300010955458	0	31	-2.0	-141.76	285.94	2.80	-138.96
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=N1	REAL300010955462	0	30	-2.0	-143.53	276.89	2.58	-140.95
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCC1	REAL300010955469	1	28	-2.0	-121.62	265.34	1.38	-120.24
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCC1	REAL300010955486	1	25	-2.0	-135.42	249.04	1.86	-133.56
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCC1	REAL300010955488	1	27	-2.0	-120.34	274.72	3.05	-117.29
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCC1	REAL300010955489	1	27	-2.0	-125.50	267.19	2.45	-123.05
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCC1	REAL300010955503	0	31	-2.0	-133.10	300.83	4.83	-128.27
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1C(F)(F)F	REAL300010955504	1	31	-2.0	-123.69	284.01	2.51	-121.18
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955516	1	31	-2.0	-144.54	280.69	1.52	-143.02
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1F	REAL300010955534	1	32	-2.0	-129.85	300.17	3.87	-125.98
O=C([O-])C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300010955553	0	36	-2.0	-102.23	293.42	3.19	-99.04
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCC1	REAL300010955562	0	25	-2.0	-128.02	253.78	2.45	-125.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955572	1	32	-2.0	-131.81	287.71	4.28	-127.53
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1	REAL300010955591	0	31	-2.0	-118.50	308.31	3.24	-115.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955595	0	31	-2.0	-104.15	270.57	4.01	-100.14
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCC1	REAL300010955598	1	31	-2.0	-139.83	279.11	3.04	-136.79
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300010955600	0	29	-2.0	-100.59	288.54	3.29	-97.30
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010955623	1	25	-2.0	-122.13	254.06	2.58	-119.55
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCC1	REAL300010955647	1	28	-2.0	-119.71	273.53	3.08	-116.63
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)CCC1	REAL300010955660	1	31	-2.0	-133.92	308.37	5.87	-128.05
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCC1	REAL300010955664	1	33	-2.0	-127.23	313.06	5.26	-121.97
O=C([O-])C1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCC1	REAL300010955667	1	34	-2.0	-128.63	326.57	5.08	-123.55
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCC1	REAL300010955673	0	28	-2.0	-129.76	279.70	4.72	-125.04
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300010955674	1	30	-2.0	-119.75	290.68	3.12	-116.63
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300010955677	1	30	-2.0	-119.75	290.68	3.12	-116.63
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955680	1	32	-2.0	-139.37	303.08	4.63	-134.74
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCC1	REAL300010955683	1	28	-2.0	-121.71	277.20	4.45	-117.26
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(C2=CC=CC=C2)O1	REAL300010955691	1	37	-2.0	-141.53	323.08	3.06	-138.47
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955707	1	34	-2.0	-104.46	303.71	1.29	-103.17
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=N[N-]1	REAL300010955707	1	34	-2.0	-104.36	303.81	1.29	-103.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1	REAL300010955709	0	31	-2.0	-117.69	304.24	3.14	-114.55
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955712	1	32	-2.0	-131.68	301.88	4.86	-126.82
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955714	1	32	-2.0	-134.88	287.88	3.39	-131.49
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCC1	REAL300010955719	1	25	-2.0	-118.24	274.74	3.95	-114.29
O=C([O-])C1([N-]S(=O)(=O)C2=C(I)C=CS2)CCC1	REAL300010955725	1	25	-2.0	-124.97	265.03	3.98	-120.99
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955728	1	31	-2.0	-144.54	280.69	1.52	-143.02
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCC1	REAL300010955755	0	26	-2.0	-129.03	262.69	1.64	-127.39
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955762	1	37	-2.0	-102.28	324.94	1.01	-101.27
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCC1	REAL300010955766	0	27	-2.0	-134.71	270.56	2.68	-132.03
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCC1	REAL300010955788	1	30	-2.0	-137.27	272.69	3.42	-133.85
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCC1	REAL300010955792	0	27	-2.0	-126.69	277.71	3.27	-123.42
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955803	1	34	-2.0	-129.50	316.24	5.84	-123.66
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955805	1	34	-2.0	-142.46	301.01	4.86	-137.60
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCC1	REAL300010955811	0	24	-2.0	-119.08	257.25	2.14	-116.94
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)F)CCC1	REAL300010955814	1	30	-2.0	-134.73	268.36	3.22	-131.51
O=C([O-])C1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCC1	REAL300010955819	0	33	-2.0	-109.05	296.02	3.08	-105.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCOC1	REAL300010955841	1	35	-2.0	-119.36	319.85	3.32	-116.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCOC1	REAL300010955844	0	35	-2.0	-135.90	310.31	3.43	-132.47
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCOC1	REAL300010955868	1	35	-2.0	-126.26	313.69	3.26	-123.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCOC1	REAL300010955870	1	32	-2.0	-117.86	324.63	3.29	-114.57
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCOC1	REAL300010955882	1	35	-2.0	-117.15	319.98	3.32	-113.83
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCOC1	REAL300010955894	0	35	-2.0	-122.68	314.02	3.09	-119.59
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300010955913	1	35	-2.0	-136.47	319.25	2.70	-133.77
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010955948	1	39	-2.0	-128.78	336.78	3.22	-125.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)O1	REAL300010955984	1	38	-2.0	-119.41	341.32	1.93	-117.48
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCOC1	REAL300010955987	0	37	-2.0	-138.34	321.81	4.46	-133.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCOC1	REAL300010955991	1	35	-2.0	-129.73	321.42	4.08	-125.65
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958774	1	31	-2.0	-107.33	302.13	1.09	-106.24
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958876	1	42	-2.0	-107.99	375.24	3.08	-104.91
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965373	1	26	-2.0	-110.95	275.24	2.60	-108.35
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010965383	1	29	-2.0	-119.15	286.90	4.68	-114.47
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300010965441	1	29	-2.0	-109.34	312.44	5.02	-104.32
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300010965447	1	29	-2.0	-109.53	306.02	5.00	-104.53
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C2	REAL300010965463	0	29	-2.0	-112.56	292.25	4.28	-108.28
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C2	REAL300010965476	1	31	-2.0	-101.86	324.96	5.50	-96.36
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C2	REAL300010965497	0	31	-2.0	-106.55	320.75	5.11	-101.44
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C2	REAL300010965498	1	31	-2.0	-103.46	316.98	4.99	-98.47
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C2	REAL300010965499	1	29	-2.0	-107.04	301.17	5.26	-101.78
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965505	1	32	-2.0	-97.43	315.93	0.56	-96.87
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300010965526	0	29	-2.0	-114.19	293.18	4.74	-109.45
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C2	REAL300010965534	1	29	-2.0	-115.88	293.37	4.46	-111.42
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1Cl	REAL300010965536	1	38	-2.0	-110.13	365.47	5.91	-104.22
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C2	REAL300010965537	1	31	-2.0	-113.82	318.43	5.72	-108.10
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965539	0	37	-2.0	-113.35	338.55	5.40	-107.95
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965548	1	35	-2.0	-120.20	348.10	6.46	-113.74
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300010965562	1	32	-2.0	-125.35	312.35	3.36	-121.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C2	REAL300010965566	0	33	-2.0	-97.45	320.34	3.66	-93.79
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965568	1	30	-2.0	-106.46	316.80	4.84	-101.62
CN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=N1	REAL300010965599	1	32	-2.0	-117.56	309.51	2.72	-114.84
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C2	REAL300010965600	1	31	-2.0	-112.43	309.02	5.88	-106.55
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300010965613	1	32	-2.0	-113.24	307.03	4.34	-108.90
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3S1)C2	REAL300010965614	1	32	-2.0	-118.43	322.43	5.93	-112.50
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C2	REAL300010965620	1	26	-2.0	-113.12	276.75	3.44	-109.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965660	1	35	-2.0	-120.85	346.00	5.06	-115.79
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C2	REAL300010965691	1	28	-2.0	-121.45	283.37	2.66	-118.79
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965700	1	35	-2.0	-120.14	335.68	4.62	-115.52
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965712	1	35	-2.0	-112.37	328.63	3.26	-109.11
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C2	REAL300010965723	1	28	-2.0	-113.78	292.83	2.55	-111.23
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC=C1	REAL300010965727	0	32	-2.0	-122.29	304.22	3.27	-119.02
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010965731	0	31	-2.0	-126.22	298.27	2.87	-123.35
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C2	REAL300010965739	1	29	-2.0	-114.16	286.51	1.40	-112.76
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C2	REAL300010965758	1	26	-2.0	-117.19	270.19	1.89	-115.30
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C2	REAL300010965760	1	28	-2.0	-108.34	296.22	3.08	-105.26
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C2	REAL300010965761	1	28	-2.0	-113.67	288.22	2.47	-111.20
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C2	REAL300010965762	1	28	-2.0	-112.81	277.78	1.98	-110.83
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C3=CC=CC=C3O1)C2	REAL300010965778	0	32	-2.0	-118.99	322.33	4.85	-114.14
CN1N=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C(F)(F)F	REAL300010965779	1	32	-2.0	-110.37	305.22	2.53	-107.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010965789	0	30	-2.0	-93.42	278.90	2.89	-90.53
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965791	1	32	-2.0	-129.94	303.12	1.46	-128.48
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965811	1	33	-2.0	-123.76	319.82	4.12	-119.64
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965834	0	37	-2.0	-110.53	316.33	3.72	-106.81
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300010965844	0	26	-2.0	-113.38	272.61	2.56	-110.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965856	1	33	-2.0	-117.56	310.83	4.55	-113.01
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965879	0	32	-2.0	-108.07	329.82	3.26	-104.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965884	0	32	-2.0	-101.78	300.82	4.50	-97.28
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300010965887	1	32	-2.0	-122.82	300.59	3.11	-119.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300010965890	0	30	-2.0	-91.42	304.94	3.88	-87.54
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965921	1	26	-2.0	-110.95	275.24	2.60	-108.35
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300010965947	1	29	-2.0	-109.99	295.00	3.10	-106.89
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3N=C1Cl)C2	REAL300010965964	1	34	-2.0	-118.02	333.93	5.40	-112.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010965968	0	30	-2.0	-93.42	278.90	2.89	-90.53
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(C3=CC=CC=C3)N=C(Cl)S1)C2	REAL300010965969	1	35	-2.0	-113.69	347.70	5.13	-108.56
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C2	REAL300010965975	0	29	-2.0	-114.01	300.96	4.78	-109.23
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965976	1	31	-2.0	-112.14	311.84	3.15	-108.99
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965979	1	31	-2.0	-112.14	311.84	3.15	-108.99
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965981	1	33	-2.0	-120.50	322.67	4.88	-115.62
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300010965984	1	29	-2.0	-112.62	298.36	4.49	-108.13
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)O1	REAL300010965996	1	38	-2.0	-127.50	347.28	2.86	-124.64
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010966682	1	25	-2.0	-114.51	265.43	2.33	-112.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010966690	1	28	-2.0	-126.35	277.09	4.41	-121.94
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)S1	REAL300010966716	0	31	-2.0	-109.28	329.24	3.97	-105.31
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010966749	1	28	-2.0	-115.46	303.66	4.59	-110.87
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010966753	1	28	-2.0	-113.11	297.21	4.58	-108.53
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966765	1	30	-2.0	-115.99	307.58	5.72	-110.27
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010966770	0	28	-2.0	-119.14	283.12	3.86	-115.28
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010966781	1	30	-2.0	-105.11	315.84	5.07	-100.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010966801	0	30	-2.0	-112.45	311.95	4.68	-107.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010966802	1	30	-2.0	-109.07	308.21	4.56	-104.51
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010966803	1	28	-2.0	-112.83	292.06	4.83	-108.00
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966809	1	31	-2.0	-95.79	303.73	0.11	-95.68
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010966826	0	28	-2.0	-124.63	284.42	4.31	-120.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010966834	1	28	-2.0	-122.41	284.26	4.03	-118.38
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010966836	1	37	-2.0	-116.40	356.69	5.49	-110.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010966837	1	30	-2.0	-115.00	309.60	5.29	-109.71
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966839	0	36	-2.0	-120.53	330.15	4.95	-115.58
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966848	1	34	-2.0	-124.27	338.12	6.18	-118.09
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010966862	1	31	-2.0	-133.15	302.66	2.90	-130.25
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010966865	0	32	-2.0	-94.81	299.29	3.35	-91.46
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C=C1Br	REAL300010966868	1	29	-2.0	-111.82	308.02	4.41	-107.41
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010966898	1	31	-2.0	-119.42	299.68	2.45	-116.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966899	1	30	-2.0	-115.68	303.16	5.62	-110.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010966911	1	31	-2.0	-121.23	298.23	3.92	-117.31
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010966912	1	31	-2.0	-125.73	314.55	5.45	-120.28
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966913	1	42	-2.0	-94.32	373.12	2.11	-92.21
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1F	REAL300010966953	1	34	-2.0	-122.63	336.17	4.78	-117.85
NC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010966973	1	32	-2.0	-116.52	318.29	0.92	-115.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010966984	1	27	-2.0	-124.82	273.33	2.36	-122.46
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1F	REAL300010966992	1	34	-2.0	-121.97	325.85	4.34	-117.63
N#CCCC([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973196	1	29	-2.0	-125.00	282.54	4.62	-120.38
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010973230	0	33	-2.0	-100.02	333.05	2.59	-97.43
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010973230	1	33	-2.0	-99.94	333.11	2.58	-97.36
CC1=C(Br)SC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=N1	REAL300010973234	0	27	-2.0	-120.10	297.98	2.09	-118.01
CCCCCCN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(=O)NC1=O	REAL300010973242	1	46	-2.0	-129.40	405.83	4.48	-124.92
N#CCCC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010973243	0	28	-2.0	-109.71	294.91	4.37	-105.34
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010973255	1	27	-2.0	-118.12	288.59	3.26	-114.86
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010973259	1	28	-2.0	-110.46	301.25	5.37	-105.09
N#CCCC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973260	1	27	-2.0	-104.44	299.99	2.46	-101.98
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])SC=N1	REAL300010973298	0	30	-2.0	-132.86	306.64	2.11	-130.75
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973311	1	25	-2.0	-115.55	273.99	2.58	-112.97
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010973321	1	28	-2.0	-126.52	290.15	4.08	-122.44
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010973379	1	28	-2.0	-117.48	311.23	5.00	-112.48
N#CCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010973385	1	28	-2.0	-109.17	309.56	4.38	-104.79
N#CCCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010973401	0	28	-2.0	-119.66	288.75	4.31	-115.35
N#CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973414	1	30	-2.0	-112.81	321.47	5.53	-107.28
N#CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010973435	0	30	-2.0	-115.52	319.50	5.08	-110.44
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010973436	1	30	-2.0	-110.75	315.77	4.97	-105.78
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010973437	1	28	-2.0	-113.86	299.63	5.19	-108.67
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973443	1	31	-2.0	-93.71	318.60	-0.08	-93.79
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010973464	0	28	-2.0	-127.26	291.95	4.69	-122.57
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010973472	1	28	-2.0	-124.71	291.83	4.44	-120.27
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(F)C=C1Cl	REAL300010973474	1	37	-2.0	-111.23	369.13	5.31	-105.92
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010973475	1	30	-2.0	-119.99	317.16	5.66	-114.33
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973477	0	36	-2.0	-121.63	337.42	5.37	-116.26
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973486	1	34	-2.0	-125.53	343.00	6.53	-119.00
CC1=NC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(Br)N1C	REAL300010973500	1	31	-2.0	-133.56	309.14	3.42	-130.14
N#CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010973504	0	32	-2.0	-103.78	308.84	3.89	-99.89
CN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010973538	1	31	-2.0	-123.40	309.59	2.72	-120.68
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973539	1	30	-2.0	-116.27	310.72	5.98	-110.29
N#CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010973552	1	31	-2.0	-119.05	305.78	4.32	-114.73
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010973553	1	31	-2.0	-123.41	326.04	5.32	-118.09
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010973559	1	25	-2.0	-123.85	277.59	3.33	-120.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973598	1	34	-2.0	-122.77	344.71	5.03	-117.74
N#CCCC([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010973629	1	27	-2.0	-128.21	278.93	2.84	-125.37
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973638	1	34	-2.0	-122.50	334.38	4.59	-117.91
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])O1	REAL300010973650	1	34	-2.0	-115.22	325.11	3.30	-111.92
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010973661	1	27	-2.0	-114.75	296.42	1.95	-112.80
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])OC=C1	REAL300010973665	0	31	-2.0	-133.19	303.94	2.88	-130.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=N1	REAL300010973669	0	30	-2.0	-129.05	302.75	2.16	-126.89
N#CCCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010973677	1	28	-2.0	-119.06	284.58	1.30	-117.76
N#CCCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010973696	1	25	-2.0	-124.40	268.93	1.83	-122.57
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010973698	1	27	-2.0	-113.86	294.65	3.05	-110.81
N#CCCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010973699	1	27	-2.0	-119.95	286.97	2.46	-117.49
N#CCCC([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010973700	1	27	-2.0	-113.81	281.37	1.38	-112.43
N#CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010973716	0	31	-2.0	-126.09	320.76	4.85	-121.24
CN1N=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1C(F)(F)F	REAL300010973717	1	31	-2.0	-110.69	307.31	1.89	-108.80
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010973727	0	29	-2.0	-105.01	276.52	2.97	-102.04
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973729	1	31	-2.0	-135.88	298.65	1.32	-134.56
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973733	1	37	-2.0	-139.55	338.03	1.30	-138.25
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973750	1	32	-2.0	-133.11	318.56	4.07	-129.04
N#CCCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010973773	0	36	-2.0	-95.16	321.90	3.32	-91.84
N#CCCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010973783	0	25	-2.0	-120.06	268.34	2.66	-117.40
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973795	1	32	-2.0	-117.14	314.38	3.93	-113.21
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1	REAL300010973818	0	31	-2.0	-111.24	326.28	3.31	-107.93
N#CCCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010973822	0	31	-2.0	-98.72	298.50	3.80	-94.92
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010973825	1	31	-2.0	-132.59	299.04	2.92	-129.67
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010973828	0	29	-2.0	-91.17	315.30	3.22	-87.95
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973859	1	25	-2.0	-115.55	273.99	2.58	-112.97
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010973886	1	28	-2.0	-112.13	291.53	3.14	-108.99
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010973904	1	33	-2.0	-122.26	330.45	5.39	-116.87
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010973908	0	29	-2.0	-105.01	276.52	2.97	-102.04
N#CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010973909	1	34	-2.0	-113.29	351.62	4.59	-108.70
N#CCCC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010973915	0	28	-2.0	-115.16	304.28	4.17	-110.99
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973916	1	30	-2.0	-118.40	310.62	3.13	-115.27
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973919	1	30	-2.0	-118.40	310.62	3.13	-115.27
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973921	1	32	-2.0	-130.57	326.56	4.28	-126.29
N#CCCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010973924	1	28	-2.0	-113.55	301.62	3.89	-109.66
CC1=NC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010973936	1	37	-2.0	-138.33	345.66	2.82	-135.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973957	1	34	-2.0	-94.83	330.92	1.30	-93.53
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=N[N-]1	REAL300010973957	1	34	-2.0	-94.93	331.12	1.32	-93.61
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1	REAL300010973959	0	31	-2.0	-110.51	322.21	3.21	-107.30
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973962	1	32	-2.0	-115.94	328.55	4.52	-111.42
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973964	1	32	-2.0	-127.99	307.59	3.41	-124.58
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010973969	1	25	-2.0	-112.52	294.68	3.96	-108.56
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973978	1	31	-2.0	-135.88	298.65	1.32	-134.56
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977238	1	30	-2.0	-124.96	296.12	3.63	-121.33
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010977248	1	33	-2.0	-137.97	307.78	5.66	-132.31
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010977309	1	33	-2.0	-121.58	324.99	6.09	-115.49
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010977325	0	33	-2.0	-129.40	310.90	5.35	-124.05
CCCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977339	1	35	-2.0	-121.08	343.61	6.58	-114.50
CCCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010977360	0	35	-2.0	-124.80	341.63	6.12	-118.68
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010977362	1	35	-2.0	-118.41	337.91	6.00	-112.41
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010977363	1	33	-2.0	-123.00	321.76	6.24	-116.76
CCCC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010977370	1	36	-2.0	-97.31	340.75	0.96	-96.35
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010977391	0	33	-2.0	-135.23	312.16	5.80	-129.43
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010977399	1	33	-2.0	-133.08	312.04	5.54	-127.54
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010977401	1	42	-2.0	-125.83	384.44	6.99	-118.84
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010977402	1	35	-2.0	-129.00	339.31	6.70	-122.30
CCCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010977404	0	41	-2.0	-130.27	357.70	6.23	-124.04
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977413	1	39	-2.0	-135.29	363.24	7.64	-127.65
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010977427	1	36	-2.0	-144.86	332.36	4.37	-140.49
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010977431	0	37	-2.0	-107.64	344.20	4.22	-103.42
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010977433	1	34	-2.0	-121.64	335.78	5.91	-115.73
CCCC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010977465	1	36	-2.0	-129.03	330.36	3.75	-125.28
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977466	1	35	-2.0	-124.41	332.07	7.08	-117.33
CCCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010977479	1	36	-2.0	-127.48	326.01	5.43	-122.05
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010977480	1	36	-2.0	-134.71	341.13	6.99	-127.72
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010977486	1	30	-2.0	-133.43	299.73	4.38	-129.05
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977526	1	39	-2.0	-132.21	364.97	6.13	-126.08
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010977557	1	32	-2.0	-138.78	304.27	3.65	-135.13
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977566	1	39	-2.0	-133.00	356.58	5.63	-127.37
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010977578	1	39	-2.0	-125.54	349.18	4.28	-121.26
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010977589	1	32	-2.0	-124.22	311.79	3.63	-120.59
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010977593	0	36	-2.0	-141.42	323.18	4.09	-137.33
CCCC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977597	0	35	-2.0	-148.98	318.19	3.62	-145.36
CCCC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010977605	1	33	-2.0	-124.00	305.46	2.50	-121.50
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010977623	1	30	-2.0	-133.17	289.17	2.94	-130.23
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010977625	1	32	-2.0	-122.30	314.86	4.17	-118.13
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010977626	1	32	-2.0	-123.93	307.19	3.56	-120.37
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010977627	1	32	-2.0	-122.37	296.74	3.07	-119.30
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010977643	0	36	-2.0	-136.26	342.90	5.89	-130.37
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010977644	1	36	-2.0	-127.06	324.87	3.54	-123.52
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010977654	0	34	-2.0	-108.95	311.90	3.27	-105.68
CCCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977656	1	36	-2.0	-150.73	324.03	2.25	-148.48
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010977677	1	37	-2.0	-143.12	340.68	5.11	-138.01
CCCC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010977703	0	41	-2.0	-99.29	329.09	3.75	-95.54
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010977713	0	30	-2.0	-129.80	293.93	3.56	-126.24
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010977724	1	37	-2.0	-135.04	326.29	5.38	-129.66
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010977748	0	36	-2.0	-121.02	350.38	4.29	-116.73
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010977752	0	36	-2.0	-103.71	333.30	5.24	-98.47
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010977755	1	36	-2.0	-142.05	319.25	4.03	-138.02
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010977758	0	34	-2.0	-105.91	338.36	4.17	-101.74
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977789	1	30	-2.0	-124.96	296.12	3.63	-121.33
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010977815	1	33	-2.0	-121.32	313.67	4.18	-117.14
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010977833	1	38	-2.0	-132.37	354.53	6.38	-125.99
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010977837	0	34	-2.0	-108.95	311.90	3.27	-105.68
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010977838	1	39	-2.0	-131.70	368.62	6.13	-125.57
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010977844	0	33	-2.0	-131.79	319.63	5.85	-125.94
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977845	1	35	-2.0	-122.94	332.76	4.17	-118.77
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977848	1	35	-2.0	-122.94	332.76	4.17	-118.77
CCCC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010977850	1	37	-2.0	-140.07	341.67	5.75	-134.32
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010977853	1	33	-2.0	-123.90	317.33	5.56	-118.34
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010977865	1	42	-2.0	-144.86	365.97	4.08	-140.78
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010977886	1	39	-2.0	-100.99	353.05	2.36	-98.63
CCCC[C@@H](NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977886	1	39	-2.0	-101.10	353.27	2.35	-98.75
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010977888	0	36	-2.0	-120.12	346.30	4.18	-115.94
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010977891	1	37	-2.0	-135.52	342.40	5.92	-129.60
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010977893	1	37	-2.0	-138.98	329.72	4.46	-134.52
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010977898	1	30	-2.0	-119.92	314.89	5.07	-114.85
CCCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977907	1	36	-2.0	-150.73	324.03	2.25	-148.48
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010977938	0	31	-2.0	-130.87	302.84	2.79	-128.08
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010977941	1	32	-2.0	-140.03	300.61	3.53	-136.50
CCCC[C@@H](NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010977946	1	42	-2.0	-98.89	377.77	2.53	-96.36
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010977950	0	32	-2.0	-137.17	311.67	3.73	-133.44
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977976	1	35	-2.0	-141.13	315.09	4.20	-136.93
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010977982	0	32	-2.0	-125.62	319.79	4.25	-121.37
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977996	1	39	-2.0	-134.38	359.50	7.02	-127.36
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977998	1	39	-2.0	-152.49	339.15	6.63	-145.86
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010978608	1	30	-2.0	-127.68	296.13	3.64	-124.04
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010978618	1	33	-2.0	-140.77	307.84	5.68	-135.09
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010978679	1	33	-2.0	-122.30	325.00	6.07	-116.23
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010978695	0	33	-2.0	-129.38	310.90	5.35	-124.03
CCCC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978709	1	35	-2.0	-117.69	345.54	6.50	-111.19
CCCC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010978730	0	35	-2.0	-118.12	346.49	5.55	-112.57
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010978732	1	35	-2.0	-114.40	342.76	5.42	-108.98
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010978733	1	33	-2.0	-120.80	326.87	5.69	-115.11
CCCC[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010978740	1	36	-2.0	-105.11	338.69	0.98	-104.13
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010978761	0	33	-2.0	-134.05	319.22	5.15	-128.90
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010978769	1	33	-2.0	-128.79	318.73	4.89	-123.90
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010978771	1	42	-2.0	-127.47	386.40	6.94	-120.53
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010978772	1	35	-2.0	-125.16	339.30	6.70	-118.46
CCCC[C@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010978774	0	41	-2.0	-130.93	359.58	6.42	-124.51
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010978783	1	39	-2.0	-133.85	367.22	7.50	-126.35
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010978797	1	36	-2.0	-145.00	333.46	4.31	-140.69
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010978801	0	37	-2.0	-109.98	331.30	4.94	-105.04
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010978803	1	34	-2.0	-118.19	342.55	5.27	-112.92
CCCC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010978835	1	36	-2.0	-131.54	329.75	3.67	-127.87
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978836	1	35	-2.0	-127.04	332.02	6.88	-120.16
CCCC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010978849	1	36	-2.0	-125.39	332.74	4.76	-120.63
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010978850	1	36	-2.0	-133.85	348.15	6.36	-127.49
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010978856	1	30	-2.0	-125.86	304.54	3.77	-122.09
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978896	1	39	-2.0	-137.29	366.88	6.08	-131.21
CCCC[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010978927	1	32	-2.0	-134.71	309.07	3.10	-131.61
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978936	1	39	-2.0	-136.48	356.56	5.64	-130.84
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010978948	1	39	-2.0	-123.75	353.99	3.67	-120.08
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010978959	1	32	-2.0	-129.19	313.71	3.57	-125.62
CCCC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010978963	0	36	-2.0	-139.82	321.94	4.44	-135.38
CCCC[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978967	0	35	-2.0	-145.38	316.76	3.68	-141.70
CCCC[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010978975	1	33	-2.0	-124.58	311.93	1.84	-122.74
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010978993	1	30	-2.0	-139.29	292.21	2.85	-136.44
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010978995	1	32	-2.0	-122.75	316.79	4.09	-118.66
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010978996	1	32	-2.0	-128.84	309.12	3.50	-125.34
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010978997	1	32	-2.0	-123.61	303.51	2.43	-121.18
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010979961	1	26	-2.0	-102.43	275.22	2.60	-99.83
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010979971	1	29	-2.0	-113.29	286.89	4.68	-108.61
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010981280	1	27	-2.0	-101.38	274.42	2.25	-99.13
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010981288	1	30	-2.0	-110.41	286.09	4.34	-106.07
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010981347	1	30	-2.0	-99.86	311.66	4.67	-95.19
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010981352	1	30	-2.0	-100.00	305.22	4.65	-95.35
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010981364	1	32	-2.0	-102.30	315.56	5.76	-96.54
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010981369	0	30	-2.0	-102.99	291.12	3.93	-99.06
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010981381	1	32	-2.0	-94.42	323.84	5.15	-89.27
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010981402	0	32	-2.0	-97.65	319.93	4.76	-92.89
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010981403	1	32	-2.0	-94.60	316.19	4.64	-89.96
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010981404	1	30	-2.0	-98.37	300.06	4.92	-93.45
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981410	1	33	-2.0	-100.56	317.75	0.10	-100.46
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010981429	0	30	-2.0	-107.42	292.41	4.39	-103.03
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010981437	1	30	-2.0	-105.39	292.27	4.11	-101.28
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010981439	1	39	-2.0	-100.96	364.69	5.57	-95.39
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010981440	1	32	-2.0	-101.36	317.59	5.38	-95.98
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981442	0	38	-2.0	-104.46	337.84	5.01	-99.45
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981451	1	36	-2.0	-109.05	343.45	6.26	-102.79
CC1=NC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(Br)N1C	REAL300010981465	1	33	-2.0	-113.73	311.51	3.02	-110.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010981468	0	34	-2.0	-90.42	306.96	3.26	-87.16
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010981471	1	31	-2.0	-97.43	316.00	4.50	-92.93
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010981501	1	33	-2.0	-105.69	310.03	2.42	-103.27
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010981502	1	32	-2.0	-102.22	311.15	5.66	-96.56
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010981514	1	33	-2.0	-103.38	306.22	3.99	-99.39
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010981515	1	33	-2.0	-109.01	321.33	5.59	-103.42
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981516	1	44	-2.0	-110.47	394.31	2.27	-108.20
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981556	1	36	-2.0	-109.73	345.16	4.72	-105.01
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010981577	1	34	-2.0	-100.98	326.28	1.00	-99.98
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010981588	1	29	-2.0	-110.98	282.56	2.32	-108.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981596	1	36	-2.0	-109.06	334.84	4.28	-104.78
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])O1	REAL300010981608	1	36	-2.0	-101.74	327.47	2.91	-98.83
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010981621	1	29	-2.0	-101.81	292.01	2.21	-99.60
COC(=O)C1=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])OC=C1	REAL300010981625	0	33	-2.0	-113.09	303.42	2.93	-110.16
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010981629	0	32	-2.0	-118.42	298.39	2.45	-115.97
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010981636	1	30	-2.0	-104.38	285.71	1.06	-103.32
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010981654	1	27	-2.0	-111.05	270.50	1.48	-109.57
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010981656	1	29	-2.0	-98.76	295.08	2.74	-96.02
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010981657	1	29	-2.0	-101.63	287.41	2.14	-99.49
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010981672	0	33	-2.0	-109.13	317.62	4.67	-104.46
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010981673	1	33	-2.0	-101.33	303.20	2.17	-99.16
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981684	1	33	-2.0	-120.19	302.31	1.12	-119.07
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981702	1	34	-2.0	-112.74	318.99	3.77	-108.97
CC(CCC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010981721	0	38	-2.0	-98.59	320.67	3.39	-95.20
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010981732	0	27	-2.0	-103.99	271.80	2.22	-101.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981743	1	34	-2.0	-109.01	306.46	4.21	-104.80
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1	REAL300010981763	0	33	-2.0	-98.06	328.67	2.91	-95.15
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010981768	0	33	-2.0	-97.46	296.46	3.85	-93.61
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010981771	1	33	-2.0	-112.63	299.47	2.72	-109.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010981773	0	31	-2.0	-89.50	300.97	3.33	-86.17
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010981801	1	27	-2.0	-101.38	274.42	2.25	-99.13
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010981825	1	30	-2.0	-100.09	293.89	2.75	-97.34
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010981838	1	33	-2.0	-107.93	324.80	5.72	-102.21
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010981842	1	35	-2.0	-108.37	332.81	5.07	-103.30
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010981846	1	36	-2.0	-102.24	342.50	5.11	-97.13
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010981852	0	30	-2.0	-104.51	299.85	4.43	-100.08
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981853	1	32	-2.0	-100.22	311.05	2.81	-97.41
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981856	1	32	-2.0	-100.22	311.05	2.81	-97.41
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981859	1	34	-2.0	-113.60	321.90	4.50	-109.10
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010981862	1	30	-2.0	-102.32	297.55	4.14	-98.18
CC1=NC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010981871	1	39	-2.0	-118.73	346.09	2.51	-116.22
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981889	1	36	-2.0	-99.74	329.82	1.52	-98.22
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=N[N-]1	REAL300010981889	1	36	-2.0	-99.74	330.04	1.52	-98.22
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1	REAL300010981891	0	33	-2.0	-97.53	324.60	2.81	-94.72
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981894	1	34	-2.0	-108.11	320.67	4.77	-103.34
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])C(F)=C1	REAL300010981896	1	34	-2.0	-109.02	308.03	3.11	-105.91
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010981901	1	27	-2.0	-95.85	295.11	3.63	-92.22
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010981907	1	27	-2.0	-102.15	288.54	3.57	-98.58
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981910	1	33	-2.0	-120.19	302.31	1.12	-119.07
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010981937	0	28	-2.0	-105.65	283.05	1.35	-104.30
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981944	1	39	-2.0	-101.37	354.81	1.67	-99.70
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010981948	0	29	-2.0	-108.84	291.89	2.29	-106.55
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010981971	1	32	-2.0	-112.71	295.31	2.83	-109.88
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010981975	0	29	-2.0	-102.92	298.09	2.94	-99.98
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981987	1	36	-2.0	-104.59	337.33	5.59	-99.00
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981989	1	36	-2.0	-120.81	322.58	5.10	-115.71
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010981995	0	26	-2.0	-96.34	273.97	1.95	-94.39
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010982556	1	27	-2.0	-124.45	274.62	2.85	-121.60
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010982564	1	30	-2.0	-137.18	286.31	4.88	-132.30
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010982623	1	30	-2.0	-125.70	311.85	5.25	-120.45
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010982628	1	30	-2.0	-122.34	305.43	5.23	-117.11
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982640	1	32	-2.0	-125.52	316.97	6.33	-119.19
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010982645	0	30	-2.0	-128.69	289.40	4.57	-124.12
CCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982657	1	32	-2.0	-120.57	322.11	5.80	-114.77
CCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010982678	0	32	-2.0	-124.15	320.13	5.34	-118.81
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010982679	1	32	-2.0	-116.50	314.48	5.28	-111.22
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010982680	1	30	-2.0	-120.82	298.34	5.51	-115.31
CCC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010982686	1	33	-2.0	-97.22	319.49	0.17	-97.05
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010982705	0	30	-2.0	-131.37	292.61	4.94	-126.43
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010982713	1	30	-2.0	-133.80	292.47	4.69	-129.11
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010982715	1	39	-2.0	-126.59	364.88	6.15	-120.44
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010982716	1	32	-2.0	-124.58	317.78	5.92	-118.66
CCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010982718	0	38	-2.0	-131.42	338.08	5.41	-126.01
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010982727	1	36	-2.0	-134.59	341.74	6.85	-127.74
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010982741	1	33	-2.0	-142.68	308.94	3.65	-139.03
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010982744	0	34	-2.0	-106.18	320.79	3.46	-102.72
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010982747	1	31	-2.0	-122.55	316.22	5.06	-117.49
CCC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010982777	1	33	-2.0	-127.12	306.97	3.03	-124.09
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982778	1	32	-2.0	-125.27	312.57	6.24	-119.03
CCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010982790	1	33	-2.0	-126.94	304.51	4.65	-122.29
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010982791	1	33	-2.0	-135.61	321.55	6.14	-129.47
CCC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010982792	1	44	-2.0	-99.30	396.16	2.34	-96.96
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982832	1	36	-2.0	-131.60	343.47	5.35	-126.25
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010982853	1	34	-2.0	-121.84	324.54	1.64	-120.20
CCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010982864	1	29	-2.0	-138.25	282.77	2.87	-135.38
CCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982872	1	36	-2.0	-131.17	333.14	4.91	-126.26
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010982884	1	36	-2.0	-123.94	325.76	3.56	-120.38
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010982897	1	29	-2.0	-124.85	292.22	2.79	-122.06
CCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010982901	0	33	-2.0	-140.73	301.68	3.31	-137.42
CCC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982905	0	32	-2.0	-149.92	298.61	2.79	-147.13
CCC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010982912	1	30	-2.0	-124.53	285.90	1.65	-122.88
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010982930	1	27	-2.0	-136.63	270.71	2.05	-134.58
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010982932	1	29	-2.0	-123.24	295.29	3.32	-119.92
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010982933	1	29	-2.0	-124.48	287.62	2.71	-121.77
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010982948	0	33	-2.0	-134.31	319.48	5.17	-129.14
CCC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010982949	1	33	-2.0	-125.11	301.47	2.82	-122.29
CCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010982960	1	33	-2.0	-150.00	302.53	1.47	-148.53
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010982978	1	34	-2.0	-135.17	317.29	4.36	-130.81
CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010982997	0	38	-2.0	-100.54	312.98	3.15	-97.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)=N1	REAL300011261688	1	46	-2.0	-102.29	365.34	6.92	-95.37