CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300005001057	0	45	-2.0	-129.50	383.93	3.68	-125.82
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005001321	0	45	-2.0	-130.25	384.42	3.93	-126.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300005001732	1	39	-2.0	-110.03	354.98	-0.28	-110.31
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005001967	0	42	-2.0	-128.62	362.95	3.04	-125.58
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=CS1	REAL300005002296	1	46	-2.0	-134.43	396.90	4.13	-130.30
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCCN2N=C(C(=O)[O-])C=C12	REAL300005002510	0	42	-2.0	-121.69	368.96	3.08	-118.61
CC1=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005002599	1	48	-2.0	-114.84	388.23	4.51	-110.33
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C([O-])C(F)=C3)C2=C1	REAL300005003653	1	35	-2.0	-118.82	308.55	3.95	-114.87
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2=C1	REAL300005003666	1	38	-2.0	-131.43	338.68	6.43	-125.00
O=C([O-])C1=NN2CCCC(NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300005003707	0	35	-2.0	-113.17	306.23	2.03	-111.14
O=C([O-])C1=NN2CCCC(NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300005003707	1	35	-2.0	-113.19	306.29	2.04	-111.15
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300005003795	0	41	-2.0	-116.97	363.59	2.04	-114.93
O=C([O-])C1=NN2CCCC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C2=C1	REAL300005003831	1	40	-2.0	-114.16	342.00	3.45	-110.71
O=C([O-])C1=NN2CCCC(NC(=O)C3=CN=CC([O-])=C3)C2=C1	REAL300005003875	1	34	-2.0	-121.36	297.40	2.05	-119.31
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=N1	REAL300005003987	0	45	-2.0	-138.73	391.07	6.19	-132.54
O=C([O-])C1=NN2CCCC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2=C1	REAL300005003992	0	42	-2.0	-140.64	369.33	5.22	-135.42
O=C([O-])C1=NN2CCCC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2=C1	REAL300005004038	1	40	-2.0	-140.86	342.49	6.06	-134.80
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=N2)=C1	REAL300005004207	0	45	-2.0	-147.50	387.67	5.81	-141.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=N1	REAL300005004208	0	48	-2.0	-145.07	397.18	6.95	-138.12
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2=C1	REAL300005004344	0	35	-2.0	-113.98	324.35	4.50	-109.48
COC1=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)NC(=O)[N-]C1=O	REAL300005004362	1	38	-2.0	-117.37	330.50	-0.48	-117.85
O=C([O-])C1=NN2CCCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300005004462	0	38	-2.0	-122.57	327.50	2.80	-119.77
O=C([O-])C1=NN2CCCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300005004462	1	38	-2.0	-122.58	327.57	2.80	-119.78
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C([O-])C(Cl)=C3)C2=C1	REAL300005004502	0	35	-2.0	-114.91	318.35	4.44	-110.47
CCOC1=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=CC(Cl)=C1[O-]	REAL300005004506	1	42	-2.0	-117.09	369.40	5.49	-111.60
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCCN4N=C(C(=O)[O-])C=C34)=N2)C=C1	REAL300005004515	0	46	-2.0	-141.68	392.40	4.45	-137.23
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)=CO1	REAL300005004539	1	39	-2.0	-122.48	354.33	-0.30	-122.78
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300005004707	0	38	-2.0	-105.80	337.89	2.58	-103.22
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300005004707	1	38	-2.0	-105.82	337.96	2.59	-103.23
O=C([O-])C1=NN2CCCC(NC(=O)C3=C[N-]N=CC3=O)C2=C1	REAL300005005006	0	33	-2.0	-106.60	289.41	2.49	-104.11
COCC1=NC=C(C(=O)NC2CCCN3N=C(C(=O)[O-])C=C23)C(=O)[N-]1	REAL300005005042	1	40	-2.0	-113.88	343.84	1.10	-112.78
O=C([O-])C1=NN2CCCC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2=C1	REAL300005005092	1	43	-2.0	-114.13	357.75	4.00	-110.13
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2=C1	REAL300005005418	0	35	-2.0	-126.51	332.75	6.47	-120.04
CC(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300005006070	1	41	-2.0	-107.24	353.79	5.53	-101.71
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300005006078	1	43	-2.0	-101.87	355.40	8.42	-93.45
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300005006082	1	49	-2.0	-105.33	385.79	9.23	-96.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300005006083	1	52	-2.0	-98.17	397.53	9.75	-88.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300005006093	1	42	-2.0	-105.90	358.71	7.01	-98.89
CC(C)C1CCC2=C(C1)SC([N-]C(=O)COCC(=O)[O-])=N2	REAL300005006099	1	39	-2.0	-112.44	330.90	6.66	-105.78
CC(C)C1CCC2=C(C1)SC([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)=N2	REAL300005006101	1	46	-2.0	-112.68	374.33	8.32	-104.36
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300005006102	1	47	-2.0	-109.69	371.93	8.40	-101.29
CC(C)C1CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300005006107	1	45	-2.0	-119.61	384.74	4.54	-115.07
CC(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300005006113	1	42	-2.0	-121.12	358.05	7.04	-114.08
CC(C)C1CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300005006116	1	49	-2.0	-110.18	395.80	8.76	-101.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300005006127	1	49	-2.0	-121.12	395.37	10.92	-110.20
CC(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300005006129	1	49	-2.0	-114.37	409.98	10.99	-103.38
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300005006144	1	43	-2.0	-123.46	349.10	8.38	-115.08
COC(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300005006150	1	39	-2.0	-122.16	329.21	6.51	-115.65
CC(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300005006151	1	42	-2.0	-132.55	347.35	7.82	-124.73
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300005006155	1	44	-2.0	-102.35	362.38	6.39	-95.96
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C)=N2	REAL300005006157	1	42	-2.0	-119.21	340.99	8.37	-110.84
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300005006165	1	43	-2.0	-123.16	354.28	8.43	-114.73
CC(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300005006167	1	47	-2.0	-139.03	372.26	7.05	-131.98
CC(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])=N2	REAL300005006169	1	48	-2.0	-133.54	382.64	8.90	-124.64
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300005006174	1	52	-2.0	-98.17	397.53	9.75	-88.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)O1	REAL300005007141	1	43	-2.0	-90.34	382.44	2.14	-88.20
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005007319	0	46	-2.0	-102.16	390.00	5.47	-96.69
CC1=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005007806	1	52	-2.0	-92.73	414.29	6.97	-85.76
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(F)=C1)CCS2	REAL300005008738	1	39	-2.0	-94.12	338.12	6.49	-87.63
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCS2	REAL300005008752	1	42	-2.0	-103.58	366.15	8.92	-94.66
O=C(CCC1=N[N-]N=N1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008809	0	39	-2.0	-91.16	335.56	4.53	-86.63
O=C(CCC1=NN=N[N-]1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005008809	1	39	-2.0	-91.10	335.62	4.54	-86.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300005008880	0	45	-2.0	-96.06	393.36	4.58	-91.48
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)CCS2	REAL300005008910	1	44	-2.0	-91.89	368.78	5.91	-85.98
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=CC([O-])=C1)CCS2	REAL300005008941	1	38	-2.0	-96.57	326.95	4.60	-91.97
O=C([O-])C1CC2(C1)CC(NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCS2	REAL300005009083	1	44	-2.0	-111.46	369.95	8.55	-102.91
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCS2	REAL300005009359	0	39	-2.0	-91.41	354.13	7.04	-84.37
COC1=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)NC(=O)[N-]C1=O	REAL300005009378	1	42	-2.0	-93.93	357.96	2.03	-91.90
O=C(CCCC1=N[N-]N=N1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009470	0	42	-2.0	-98.81	357.05	5.31	-93.50
O=C(CCCC1=NN=N[N-]1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300005009470	1	42	-2.0	-98.82	357.11	5.33	-93.49
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)CCS2	REAL300005009503	0	39	-2.0	-90.95	347.92	6.98	-83.97
CCOC1=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=CC(Cl)=C1[O-]	REAL300005009506	1	46	-2.0	-95.30	398.97	8.02	-87.28
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)=CO1	REAL300005009537	1	43	-2.0	-98.25	383.89	2.21	-96.04
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCS2	REAL300005009685	0	42	-2.0	-86.44	365.35	5.04	-81.40
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCS2	REAL300005009685	1	42	-2.0	-86.40	365.42	5.04	-81.36
O=C([O-])C1CC2(C1)CC(NC(=O)C1=C[N-]N=CC1=O)CCS2	REAL300005009937	0	37	-2.0	-85.33	319.17	5.02	-80.31
COCC1=NC=C(C(=O)NC2CCSC3(CC(C(=O)[O-])C3)C2)C(=O)[N-]1	REAL300005009968	1	44	-2.0	-91.22	370.72	3.54	-87.68
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCS2	REAL300005010010	1	47	-2.0	-91.92	384.55	6.46	-85.46
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCS2	REAL300005010293	0	39	-2.0	-99.18	360.22	8.96	-90.22
CC1=C(CCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005011517	1	54	-2.0	-97.06	424.69	6.93	-90.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=C1	REAL300005011870	0	44	-2.0	-99.16	367.06	4.77	-94.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005012182	0	44	-2.0	-100.14	367.14	4.99	-95.15
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C=C1	REAL300005012232	1	46	-2.0	-107.94	389.97	9.85	-98.09
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)O1	REAL300005012684	1	47	-2.0	-88.86	392.67	3.22	-85.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)O1	REAL300005012685	1	38	-2.0	-88.34	337.91	0.77	-87.57
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=C1	REAL300005012916	0	48	-2.0	-105.62	401.30	2.96	-102.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005012962	0	41	-2.0	-98.83	345.67	4.09	-94.74
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=CS1	REAL300005013336	1	45	-2.0	-100.52	379.64	5.19	-95.33
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005013571	0	41	-2.0	-92.47	351.91	4.12	-88.35
CC1=C(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005013576	1	47	-2.0	-105.65	390.55	5.36	-100.29
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005013580	0	47	-2.0	-100.64	388.42	5.77	-94.87
CC1=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005013651	1	47	-2.0	-91.92	369.76	5.57	-86.35
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	REAL300005014401	0	47	-2.0	-105.17	392.18	6.29	-98.88
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005014596	1	37	-2.0	-99.38	321.60	7.54	-91.84
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C=N1	REAL300005014695	0	40	-2.0	-93.27	347.49	3.05	-90.22
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005014726	1	39	-2.0	-91.28	324.00	4.58	-86.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)=N2)=C1	REAL300005014780	0	50	-2.0	-111.03	407.07	8.10	-102.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)=N2)C=C1	REAL300005014781	0	50	-2.0	-109.02	406.09	8.13	-100.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=N1	REAL300005014857	0	44	-2.0	-106.76	369.11	7.17	-99.59
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005014862	0	41	-2.0	-108.58	353.22	6.25	-102.33
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005014886	1	39	-2.0	-109.23	326.24	7.10	-102.13
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005014906	0	41	-2.0	-85.98	368.17	4.42	-81.56
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005014955	0	33	-2.0	-88.88	307.41	4.13	-84.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)=N2)=C1	REAL300005015018	0	44	-2.0	-114.54	371.56	6.84	-107.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=N1	REAL300005015019	0	47	-2.0	-112.62	388.09	7.92	-104.70
CC1=C(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005015079	1	47	-2.0	-104.42	389.82	5.31	-99.11
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005015122	0	34	-2.0	-88.88	307.35	5.53	-83.35
COC1=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005015130	1	37	-2.0	-92.11	313.51	0.61	-91.50
CCOC1=CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005015237	1	41	-2.0	-92.92	352.19	6.51	-86.41
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005015241	0	44	-2.0	-113.49	376.71	7.62	-105.87
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)=N2)C=C1	REAL300005015249	0	45	-2.0	-109.17	375.38	5.51	-103.66
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)=CO1	REAL300005015269	1	38	-2.0	-95.70	338.02	0.70	-95.00
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005015400	0	37	-2.0	-83.76	321.77	3.60	-80.16
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005015400	1	37	-2.0	-83.72	321.84	3.61	-80.11
COCC1=NC=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]1	REAL300005015672	1	39	-2.0	-90.20	326.45	2.17	-88.03
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005015711	1	42	-2.0	-90.85	339.85	5.13	-85.72
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005015972	0	34	-2.0	-95.41	315.67	7.58	-87.83
CC1=C(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005016233	0	42	-2.0	-94.28	350.69	4.59	-89.69
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(F)=C1)CCS2(=O)=O	REAL300005017817	1	41	-2.0	-99.25	353.46	2.92	-96.33
O=C([O-])C1CC2(C1)CC(NC(=O)CCC1=N[N-]N=N1)CCS2(=O)=O	REAL300005017877	0	41	-2.0	-96.15	350.92	0.98	-95.17
O=C([O-])C1CC2(C1)CC(NC(=O)CCC1=NN=N[N-]1)CCS2(=O)=O	REAL300005017877	1	41	-2.0	-96.14	350.97	0.99	-95.15
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)CCS2(=O)=O	REAL300005017940	1	46	-2.0	-96.97	386.43	2.42	-94.55
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=CC([O-])=C1)CCS2(=O)=O	REAL300005017954	1	40	-2.0	-101.22	342.31	1.03	-100.19
O=C([O-])C1CC2(C1)CC(NC(=O)CCCC1=N[N-]N=N1)CCS2(=O)=O	REAL300005018291	0	44	-2.0	-103.24	372.42	1.76	-101.48
O=C([O-])C1CC2(C1)CC(NC(=O)CCCC1=NN=N[N-]1)CCS2(=O)=O	REAL300005018291	1	44	-2.0	-103.24	372.48	1.77	-101.47
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)CCS2(=O)=O	REAL300005018313	0	41	-2.0	-95.84	363.26	3.42	-92.42
O=C([O-])C1CC2(C1)CC(NC(=O)C1=C[N-]N=CC1=O)CCS2(=O)=O	REAL300005018552	0	39	-2.0	-88.91	334.51	1.47	-87.44
COCC1=NC=C(C(=O)NC2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C(=O)[N-]1	REAL300005018570	1	46	-2.0	-96.18	388.37	0.06	-96.12
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300005020095	1	38	-2.0	-100.00	350.70	5.21	-94.79
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005020384	1	38	-2.0	-101.14	350.47	5.43	-95.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300005020828	1	32	-2.0	-86.43	321.74	1.23	-85.20
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005021083	0	35	-2.0	-99.78	329.01	4.53	-95.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300005021421	1	39	-2.0	-106.75	363.58	5.65	-101.10
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005021645	0	35	-2.0	-93.42	335.72	4.60	-88.82
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300005021650	1	41	-2.0	-101.61	371.97	6.22	-95.39
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C([O-])=C1	REAL300005022229	1	32	-2.0	-109.25	296.18	6.23	-103.02
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1Cl	REAL300005022775	1	28	-2.0	-90.36	274.80	5.49	-84.87
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1Cl	REAL300005022787	1	31	-2.0	-100.67	305.14	7.90	-92.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300005022895	0	34	-2.0	-92.47	330.03	3.57	-88.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)=C1	REAL300005022988	0	44	-2.0	-109.95	389.95	8.59	-101.36
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)C=C1	REAL300005022989	0	44	-2.0	-109.05	389.88	8.59	-100.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300005023083	0	38	-2.0	-106.23	357.10	7.71	-98.52
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1Cl	REAL300005023088	0	35	-2.0	-107.86	336.10	6.74	-101.12
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1Cl	REAL300005023129	0	33	-2.0	-108.90	309.27	7.54	-101.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)=C1	REAL300005023292	0	38	-2.0	-113.47	354.14	7.34	-106.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300005023293	0	41	-2.0	-111.59	370.76	8.43	-103.16
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1Cl	REAL300005023432	0	28	-2.0	-87.98	290.80	6.04	-81.94
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300005023548	0	31	-2.0	-101.66	294.14	4.32	-97.34
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300005023548	1	31	-2.0	-101.70	294.20	4.33	-97.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1Cl	REAL300005023585	0	28	-2.0	-87.37	284.59	5.98	-81.39
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(Cl)=C1[O-]	REAL300005023589	1	35	-2.0	-91.38	335.64	7.02	-84.36
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)C=C1	REAL300005023599	0	39	-2.0	-109.10	359.16	5.97	-103.13
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CO1	REAL300005023623	1	32	-2.0	-96.47	320.89	1.21	-95.26
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1Cl	REAL300005023715	0	36	-2.0	-94.81	333.38	9.90	-84.91
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1Cl	REAL300005023715	1	36	-2.0	-94.84	333.33	9.92	-84.92
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300005023786	0	31	-2.0	-83.48	304.74	4.12	-79.36
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300005023786	1	31	-2.0	-83.53	304.67	4.11	-79.42
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)[N-]1	REAL300005024119	1	33	-2.0	-87.88	310.91	2.70	-85.18
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1Cl	REAL300005024486	0	28	-2.0	-96.53	299.22	7.94	-88.59
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005024793	0	36	-2.0	-93.11	332.49	5.14	-87.97
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005024793	1	36	-2.0	-93.11	332.49	5.14	-87.97
CC1=C(CCC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005025489	1	52	-2.0	-100.16	412.21	5.59	-94.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=C1	REAL300005025844	0	42	-2.0	-97.10	354.40	3.41	-93.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005026154	0	42	-2.0	-98.10	354.59	3.63	-94.47
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300005026204	1	44	-2.0	-104.90	376.56	8.55	-96.35
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)O1	REAL300005026656	1	45	-2.0	-95.99	381.02	1.85	-94.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)O1	REAL300005026657	1	36	-2.0	-95.20	325.57	-0.56	-95.76
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=C1	REAL300005026888	0	46	-2.0	-104.59	389.51	1.62	-102.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005026934	0	39	-2.0	-96.76	333.12	2.73	-94.03
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=CS1	REAL300005027306	1	43	-2.0	-96.43	367.31	3.84	-92.59
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005027543	0	39	-2.0	-92.16	339.52	2.80	-89.36
CC1=C(CC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005027546	1	45	-2.0	-101.99	378.17	4.03	-97.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005027549	0	45	-2.0	-98.54	376.09	4.42	-94.12
CC1=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005027620	1	45	-2.0	-102.01	357.24	4.22	-97.79
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL300005028384	0	45	-2.0	-100.88	379.01	5.00	-95.88
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300005028578	1	35	-2.0	-96.22	309.14	6.19	-90.03
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300005028679	0	38	-2.0	-97.25	334.17	1.77	-95.48
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300005028709	1	37	-2.0	-100.22	311.81	3.17	-97.05
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)=N2)=C1	REAL300005028763	0	48	-2.0	-111.89	393.62	6.79	-105.10
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300005028764	0	48	-2.0	-109.96	393.69	6.82	-103.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=N1	REAL300005028842	0	42	-2.0	-106.28	361.17	5.89	-100.39
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300005028847	0	39	-2.0	-110.23	339.82	4.94	-105.29
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300005028873	1	37	-2.0	-108.87	313.08	5.82	-103.05
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCO1	REAL300005028893	0	39	-2.0	-84.02	355.40	3.06	-80.96
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CN=C(I)C([O-])=C2)CCO1	REAL300005028942	0	31	-2.0	-88.04	294.63	2.77	-85.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)=N2)=C1	REAL300005029007	0	42	-2.0	-113.58	358.17	5.53	-108.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=N1	REAL300005029008	0	45	-2.0	-110.66	367.53	6.68	-103.98
CC1=C(CC(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005029068	1	45	-2.0	-100.52	378.35	4.02	-96.50
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300005029113	0	32	-2.0	-89.57	294.94	4.22	-85.35
COC1=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005029121	1	35	-2.0	-92.85	300.89	-0.71	-93.56
CCOC1=CC(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005029227	1	39	-2.0	-93.96	339.78	5.20	-88.76
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCO1	REAL300005029231	0	42	-2.0	-116.13	363.32	6.32	-109.81
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300005029239	0	43	-2.0	-109.99	362.87	4.18	-105.81
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)=CO1	REAL300005029259	1	36	-2.0	-92.02	324.71	-0.59	-92.61
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300005029390	0	35	-2.0	-86.92	308.38	2.30	-84.62
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300005029390	1	35	-2.0	-86.93	308.45	2.32	-84.61
COCC1=NC=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300005029667	1	37	-2.0	-99.00	313.90	0.82	-98.18
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300005029708	1	40	-2.0	-100.33	327.56	3.70	-96.63
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300005029968	0	32	-2.0	-93.60	303.32	6.23	-87.37
CC1=C(C(=O)N[C@H]2CCO[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005030228	0	40	-2.0	-105.05	337.47	3.31	-101.74
CC1=C(CCC(=O)NC(CC(=O)[O-])C2CCC2)C(=O)NC(N2CCOCC2)=N1	REAL300005030723	0	54	-2.0	-107.47	423.61	7.67	-99.80
CC1=C(CCC(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005030723	1	54	-2.0	-107.47	423.61	7.67	-99.80
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C2CCC2)=C1	REAL300005031076	0	44	-2.0	-121.02	364.76	5.73	-115.29
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CCC1	REAL300005031388	0	44	-2.0	-111.14	365.93	5.29	-105.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C2CCC2)C=C1	REAL300005031438	1	46	-2.0	-118.91	389.79	10.48	-108.43
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCC2)O1	REAL300005031890	1	47	-2.0	-99.87	391.66	3.52	-96.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCC2)O1	REAL300005031891	1	38	-2.0	-98.46	336.89	1.07	-97.39
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C2CCC2)=C1	REAL300005032122	0	48	-2.0	-118.13	401.26	3.55	-114.58
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CCC1	REAL300005032168	0	41	-2.0	-109.45	344.46	4.39	-105.06
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CCC2)=CS1	REAL300005032542	1	45	-2.0	-109.44	378.27	6.07	-103.37
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(=O)[O-])C1CCC1	REAL300005032777	0	41	-2.0	-98.69	351.23	4.73	-93.96
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005032782	1	47	-2.0	-118.14	387.52	6.32	-111.82
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CCC1	REAL300005032786	0	47	-2.0	-111.74	387.42	6.08	-105.66
CC1=C(C(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005032857	1	47	-2.0	-115.31	368.04	6.38	-108.93
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CC(=O)[O-])C1CCC1	REAL300005033607	0	47	-2.0	-110.44	391.27	6.84	-103.60
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCC1	REAL300005033802	1	37	-2.0	-123.79	319.52	8.39	-115.40
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCC2)C=N1	REAL300005033901	0	40	-2.0	-101.94	346.06	3.70	-98.24
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCC1	REAL300005033932	1	39	-2.0	-113.42	323.11	5.36	-108.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCC3)=N2)=C1	REAL300005033986	0	50	-2.0	-124.95	405.69	8.71	-116.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCC3)=N2)C=C1	REAL300005033987	0	50	-2.0	-138.66	403.96	9.28	-129.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCC2)=N1	REAL300005034063	0	44	-2.0	-119.24	372.77	7.84	-111.40
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCC1	REAL300005034068	0	41	-2.0	-119.04	351.84	6.86	-112.18
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCC1	REAL300005034092	1	39	-2.0	-126.85	324.40	7.35	-119.50
O=C([O-])CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCC1	REAL300005034112	0	41	-2.0	-99.01	366.66	5.14	-93.87
O=C([O-])CC(NC(=O)C1=CN=C(I)C([O-])=C1)C1CCC1	REAL300005034161	0	33	-2.0	-92.31	306.52	4.69	-87.62
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCC3)=N2)=C1	REAL300005034224	0	44	-2.0	-127.87	369.81	7.45	-120.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCC2)=N1	REAL300005034225	0	47	-2.0	-125.86	380.00	8.54	-117.32
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005034285	1	47	-2.0	-112.72	388.40	6.19	-106.53
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCC1	REAL300005034328	0	34	-2.0	-92.22	306.91	6.12	-86.10
COC1=C(C(=O)NC(CC(=O)[O-])C2CCC2)NC(=O)[N-]C1=O	REAL300005034336	1	37	-2.0	-103.17	312.21	1.22	-101.95
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CCC2)=CC(Cl)=C1[O-]	REAL300005034443	1	41	-2.0	-97.62	351.76	7.10	-90.52
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCC1	REAL300005034447	0	44	-2.0	-130.41	374.93	8.23	-122.18
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCC3)=N2)C=C1	REAL300005034455	0	45	-2.0	-138.03	373.25	6.66	-131.37
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CCC2)=CO1	REAL300005034475	1	38	-2.0	-94.21	336.24	1.32	-92.89
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300005034606	0	37	-2.0	-90.09	319.81	3.96	-86.13
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300005034606	1	37	-2.0	-90.08	319.87	3.96	-86.12
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]1	REAL300005034878	1	39	-2.0	-111.90	325.21	2.96	-108.94
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCC1	REAL300005034917	1	42	-2.0	-113.19	339.14	5.84	-107.35
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC1	REAL300005035178	0	34	-2.0	-107.30	314.67	7.76	-99.54
CC1=C(C(=O)NC(CC(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005035439	0	42	-2.0	-117.95	348.28	5.47	-112.48
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005036831	1	37	-2.0	-92.30	339.43	6.94	-85.36
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300005036874	0	37	-2.0	-90.51	336.74	4.96	-85.55
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300005036874	1	37	-2.0	-90.51	336.80	4.97	-85.54
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(C(F)(F)F)C=C1	REAL300005036929	1	42	-2.0	-110.05	372.06	7.71	-102.34
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005036941	1	36	-2.0	-96.67	328.27	5.05	-91.62
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037216	0	40	-2.0	-100.93	358.35	5.79	-95.14
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037216	1	40	-2.0	-100.95	358.41	5.80	-95.15
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005037235	0	37	-2.0	-89.78	349.22	7.44	-82.34
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(C(F)(F)F)C=C1	REAL300005037437	0	35	-2.0	-95.91	327.38	6.12	-89.79
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(=O)[N-]1	REAL300005037450	1	42	-2.0	-108.79	374.14	5.28	-103.51
CC1=C(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005038600	1	50	-2.0	-115.29	400.28	5.97	-109.32
CC(C)[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300005039018	1	44	-2.0	-108.60	388.25	6.05	-102.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300005039076	1	42	-2.0	-128.36	359.91	8.74	-119.62
CC(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300005039121	1	44	-2.0	-100.11	382.11	5.85	-94.26
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300005039123	1	47	-2.0	-100.43	397.35	6.52	-93.91
CC(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005039212	1	44	-2.0	-107.46	381.64	6.01	-101.45
CC(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005039213	1	44	-2.0	-112.50	376.79	5.82	-106.68
CC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005039223	0	40	-2.0	-91.22	357.14	3.96	-87.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300005039323	1	47	-2.0	-101.29	398.85	6.43	-94.86
CC(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005039390	0	41	-2.0	-105.18	368.57	4.83	-100.35
CC(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005039407	1	43	-2.0	-96.64	361.22	2.12	-94.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)C)O1	REAL300005039408	1	34	-2.0	-95.71	307.61	-0.41	-96.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)C)=C2)C=C1	REAL300005039502	1	47	-2.0	-115.88	403.23	6.66	-109.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)C)=C2)=C1	REAL300005039529	1	47	-2.0	-116.38	398.87	6.42	-109.96
CC(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005039617	0	41	-2.0	-110.35	367.82	4.77	-105.58
CC(C)[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005039618	0	44	-2.0	-118.34	392.48	5.44	-112.90
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])C(C)C)=CS1	REAL300005039840	1	41	-2.0	-111.56	355.26	4.22	-107.34
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005039986	1	43	-2.0	-115.11	359.28	4.13	-110.98
CC(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005040115	1	44	-2.0	-100.34	376.81	5.81	-94.53
CC(C)[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300005040500	0	30	-2.0	-94.70	297.14	5.08	-89.62
CC(C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005040537	1	33	-2.0	-118.42	292.87	6.33	-112.09
CC(C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005040593	0	36	-2.0	-103.95	317.77	1.91	-102.04
CC(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005040634	1	43	-2.0	-96.67	372.48	3.98	-92.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N2)=C1	REAL300005040648	0	46	-2.0	-132.95	377.37	6.94	-126.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N2)C=C1	REAL300005040649	0	46	-2.0	-131.52	381.65	7.18	-124.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300005040685	0	40	-2.0	-127.27	343.78	6.26	-121.01
CC(C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005040688	0	37	-2.0	-127.97	325.01	5.33	-122.64
CC(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005040709	0	37	-2.0	-96.69	343.35	3.43	-93.26
CC(C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005040735	0	29	-2.0	-99.75	277.58	2.97	-96.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N2)=C1	REAL300005040759	0	40	-2.0	-135.98	340.29	5.68	-130.30
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300005040760	0	43	-2.0	-133.49	352.88	7.05	-126.44
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005040774	1	43	-2.0	-113.03	359.47	4.12	-108.91
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300005040827	1	37	-2.0	-102.22	323.38	5.34	-96.88
CC(C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005040830	0	40	-2.0	-136.60	345.44	6.46	-130.14
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N2)C=C1	REAL300005040833	0	41	-2.0	-131.12	346.59	4.32	-126.80
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)C)=CO1	REAL300005040842	1	34	-2.0	-103.27	308.31	-0.46	-103.73
CC(C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005041191	0	30	-2.0	-113.93	285.37	6.38	-107.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300005042470	1	43	-2.0	-118.16	383.36	10.48	-107.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)O1	REAL300005042833	1	44	-2.0	-102.45	386.23	3.85	-98.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)O1	REAL300005042834	1	35	-2.0	-101.46	332.61	1.31	-100.15
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300005043332	1	42	-2.0	-115.39	373.75	5.77	-109.62
CC1=C(CC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005043525	1	44	-2.0	-121.80	384.29	5.88	-115.92
O=C([O-])[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300005044372	1	34	-2.0	-123.71	316.08	8.17	-115.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300005044456	0	37	-2.0	-108.71	341.21	3.67	-105.04
O=C([O-])[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300005044477	1	36	-2.0	-118.83	319.11	5.06	-113.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300005044526	0	47	-2.0	-139.55	400.81	8.68	-130.87
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300005044527	0	47	-2.0	-137.87	400.76	8.70	-129.17
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300005044583	0	41	-2.0	-133.98	368.30	7.79	-126.19
O=C([O-])[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300005044588	0	38	-2.0	-134.93	346.96	6.83	-128.10
O=C([O-])[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300005044610	1	36	-2.0	-141.07	320.12	7.71	-133.36
O=C([O-])[C@@H](NC(=O)C1=CN=C(I)C([O-])=C1)C1=CC=CC=C1	REAL300005044672	0	30	-2.0	-103.92	301.46	4.74	-99.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300005044725	0	41	-2.0	-142.47	364.70	7.47	-135.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300005044726	0	44	-2.0	-141.40	381.55	8.58	-132.82
CC1=C(CC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005044773	1	44	-2.0	-119.83	384.48	5.87	-113.96
O=C([O-])[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005044815	0	31	-2.0	-101.15	301.98	6.11	-95.04
COC1=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300005044821	1	34	-2.0	-101.60	307.52	1.23	-100.37
O=C([O-])[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005044906	0	31	-2.0	-103.20	295.18	6.10	-97.10
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300005044910	1	38	-2.0	-106.77	346.82	7.09	-99.68
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300005044918	0	42	-2.0	-137.48	370.05	6.07	-131.41
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300005044930	1	35	-2.0	-106.24	331.15	1.34	-104.90
O=C([O-])[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300005045046	0	34	-2.0	-94.85	314.92	4.25	-90.60
O=C([O-])[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300005045046	1	34	-2.0	-94.80	314.98	4.25	-90.55
COCC1=NC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300005045278	1	36	-2.0	-117.70	320.95	2.71	-114.99
O=C([O-])[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300005045315	1	39	-2.0	-118.60	334.26	5.65	-112.95
O=C([O-])[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300005045532	0	31	-2.0	-119.85	310.38	8.12	-111.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005047255	1	47	-2.0	-103.91	400.06	3.45	-100.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])O1	REAL300005047256	1	38	-2.0	-98.37	342.08	0.90	-97.47
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=CS1	REAL300005047726	1	45	-2.0	-123.72	383.86	5.24	-118.48
CC1=C(CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005047915	1	47	-2.0	-133.88	394.69	5.47	-128.41
CC(CN1C=CC=N1)(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005048815	1	34	-2.0	-106.02	299.81	5.15	-100.87
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005048825	1	37	-2.0	-127.11	325.79	7.19	-119.92
CC(CN1C=CC=N1)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005048909	0	40	-2.0	-107.97	350.70	3.22	-104.75
CC(CN1C=CC=N1)(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005048933	1	39	-2.0	-111.39	328.57	4.55	-106.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=N2)=C1	REAL300005048983	0	50	-2.0	-142.80	414.65	8.32	-134.48
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=N2)C=C1	REAL300005048984	0	50	-2.0	-141.30	414.58	8.32	-132.98
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300005049051	0	44	-2.0	-137.25	381.90	7.44	-129.81
CC(CN1C=CC=N1)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005049056	0	41	-2.0	-138.37	360.80	6.47	-131.90
CC(CN1C=CC=N1)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005049086	1	39	-2.0	-142.30	333.96	6.88	-135.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=N2)=C1	REAL300005049221	0	44	-2.0	-146.09	379.15	7.04	-139.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300005049222	0	47	-2.0	-144.70	395.44	8.16	-136.54
CC1=C(CC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005049280	1	47	-2.0	-132.44	393.97	5.40	-127.04
CC(CN1C=CC=N1)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005049335	0	34	-2.0	-103.07	311.47	5.66	-97.41
COC1=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005049346	1	37	-2.0	-103.93	317.61	0.29	-103.64
CC(CN1C=CC=N1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005049420	0	37	-2.0	-110.04	318.78	3.95	-106.09
CC(CN1C=CC=N1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005049420	1	37	-2.0	-110.05	318.83	3.96	-106.09
CC(CN1C=CC=N1)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005049450	0	34	-2.0	-104.01	309.61	5.64	-98.37
CCOC1=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005049454	1	41	-2.0	-107.45	356.31	6.64	-100.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=N2)C=C1	REAL300005049460	0	45	-2.0	-140.74	383.87	5.69	-135.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=CO1	REAL300005049475	1	38	-2.0	-110.14	341.22	0.86	-109.28
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005049612	0	37	-2.0	-96.11	329.36	3.78	-92.33
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005049612	1	37	-2.0	-96.10	329.42	3.78	-92.32
COCC1=NC=C(C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(=O)[N-]1	REAL300005049870	1	39	-2.0	-111.21	330.29	2.29	-108.92
CC(CN1C=CC=N1)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005049912	1	42	-2.0	-112.53	344.41	5.12	-107.41
CC(CN1C=CC=N1)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005050152	0	34	-2.0	-121.93	324.20	7.31	-114.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC2CCCC2)C(=O)[O-])=C1	REAL300005051267	0	50	-2.0	-106.88	402.79	5.92	-100.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005051556	0	50	-2.0	-107.47	402.86	6.14	-101.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])O1	REAL300005052000	1	44	-2.0	-100.94	373.85	1.94	-99.00
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005052255	0	47	-2.0	-104.38	386.39	5.33	-99.05
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC2CCCC2)C(=O)[O-])=CS1	REAL300005052592	1	51	-2.0	-98.25	415.80	6.69	-91.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005052816	0	47	-2.0	-101.37	394.38	5.48	-95.89
CC1=C(CC(=O)NCC(CC2CCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005052818	1	53	-2.0	-108.13	432.10	6.67	-101.46
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CCCC1)C(=O)[O-]	REAL300005052821	0	53	-2.0	-108.12	424.36	6.93	-101.19
CC1=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005052902	1	53	-2.0	-113.65	408.80	6.96	-106.69
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1CCCC1	REAL300005053947	1	40	-2.0	-96.06	328.13	6.43	-89.63
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC1CCCC1	REAL300005053959	1	43	-2.0	-104.31	362.54	8.83	-95.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C=N1	REAL300005054067	0	46	-2.0	-102.32	383.36	4.52	-97.80
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1CCCC1	REAL300005054103	1	45	-2.0	-114.01	360.26	5.68	-108.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(CC3CCCC3)C(=O)[O-])=N2)=C1	REAL300005054160	0	56	-2.0	-123.96	447.04	9.42	-114.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(CC3CCCC3)C(=O)[O-])=N2)C=C1	REAL300005054161	0	56	-2.0	-122.87	441.98	9.32	-113.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC2CCCC2)C(=O)[O-])=N1	REAL300005054255	0	50	-2.0	-118.76	409.52	8.42	-110.34
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC1CCCC1	REAL300005054260	0	47	-2.0	-117.12	393.19	7.56	-109.56
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC1CCCC1	REAL300005054301	1	45	-2.0	-123.57	361.35	8.34	-115.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC3CCCC3)C(=O)[O-])=N2)=C1	REAL300005054464	0	50	-2.0	-126.55	406.53	8.05	-118.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC2CCCC2)C(=O)[O-])=N1	REAL300005054465	0	53	-2.0	-125.18	423.05	9.12	-116.06
CC1=C(CC(=O)NCC(CC2CCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005054542	1	53	-2.0	-103.40	426.63	6.75	-96.65
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC1CCCC1	REAL300005054604	0	40	-2.0	-93.83	343.22	6.73	-87.10
COC1=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005054621	1	43	-2.0	-97.20	349.36	1.81	-95.39
O=C(CCCC1=N[N-]N=N1)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054720	0	43	-2.0	-93.69	347.47	5.39	-88.30
O=C(CCCC1=NN=N[N-]1)NCC(CC1CCCC1)C(=O)[O-]	REAL300005054720	1	43	-2.0	-93.76	347.53	5.40	-88.36
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1CCCC1	REAL300005054757	0	40	-2.0	-93.05	337.92	6.92	-86.13
CCOC1=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005054761	1	47	-2.0	-99.67	388.06	7.70	-91.97
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC3CCCC3)C(=O)[O-])=N2)C=C1	REAL300005054771	0	51	-2.0	-120.97	416.26	6.80	-114.17
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC2CCCC2)C(=O)[O-])=CO1	REAL300005054795	1	44	-2.0	-95.53	379.55	2.09	-93.44
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1CCCC1	REAL300005054958	0	43	-2.0	-89.70	361.75	4.92	-84.78
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1CCCC1	REAL300005054958	1	43	-2.0	-89.73	361.81	4.93	-84.80
COCC1=NC=C(C(=O)NCC(CC2CCCC2)C(=O)[O-])C(=O)[N-]1	REAL300005055291	1	45	-2.0	-110.04	364.56	3.62	-106.42
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC1CCCC1	REAL300005055339	1	48	-2.0	-114.29	376.01	6.22	-108.07
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1CCCC1	REAL300005055658	0	40	-2.0	-101.91	356.60	8.87	-93.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)O1	REAL300005057503	1	39	-2.0	-102.62	345.52	0.86	-101.76
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)=CS1	REAL300005057948	1	46	-2.0	-105.11	393.85	5.22	-99.89
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300005059031	1	35	-2.0	-101.49	303.64	4.64	-96.85
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005059042	1	38	-2.0	-105.93	336.33	6.67	-99.26
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300005059076	0	35	-2.0	-96.63	302.93	3.14	-93.49
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300005059076	1	35	-2.0	-96.62	302.98	3.15	-93.47
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005059146	0	41	-2.0	-102.77	358.60	2.65	-100.12
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005059171	1	40	-2.0	-108.53	345.12	4.12	-104.41
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN=CC([O-])=C1	REAL300005059208	1	34	-2.0	-100.85	292.18	2.67	-98.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)=N1	REAL300005059289	0	45	-2.0	-109.56	382.85	7.60	-101.96
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005059294	0	42	-2.0	-109.88	360.37	6.63	-103.25
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005059325	1	40	-2.0	-109.52	332.96	7.54	-101.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)=N2)=C1	REAL300005059464	0	45	-2.0	-116.54	382.00	7.16	-109.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)=N1	REAL300005059465	0	48	-2.0	-113.90	395.58	8.06	-105.84
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005059576	0	35	-2.0	-97.72	319.65	5.19	-92.53
COC1=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)NC(=O)[N-]C1=O	REAL300005059588	1	38	-2.0	-99.84	330.66	-0.73	-100.57
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300005059666	0	38	-2.0	-101.43	324.45	3.93	-97.50
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300005059666	1	38	-2.0	-101.45	324.51	3.94	-97.51
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005059698	0	35	-2.0	-97.79	313.43	5.13	-92.66
CCOC1=CC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)=CC(Cl)=C1[O-]	REAL300005059702	1	42	-2.0	-101.33	364.50	6.16	-95.17
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4=CC(C(=O)[O-])=NN4CC3C)=N2)C=C1	REAL300005059708	0	46	-2.0	-112.34	383.44	5.85	-106.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)=CO1	REAL300005059724	1	39	-2.0	-101.57	347.72	0.51	-101.06
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005059865	0	38	-2.0	-94.59	328.49	4.23	-90.36
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005059865	1	38	-2.0	-94.50	328.55	4.25	-90.25
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=C[N-]N=CC1=O	REAL300005060103	0	33	-2.0	-90.11	288.02	3.13	-86.98
COCC1=NC=C(C(=O)N2CC3=CC(C(=O)[O-])=NN3CC2C)C(=O)[N-]1	REAL300005060127	1	40	-2.0	-107.10	346.97	1.77	-105.33
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005060170	1	43	-2.0	-98.36	349.65	4.58	-93.78
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005060417	0	35	-2.0	-101.73	330.39	6.75	-94.98
CC1=C(CCC(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005061440	1	54	-2.0	-98.51	431.47	6.91	-91.60
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2CC(CC(=O)[O-])C2)=C1	REAL300005061793	0	44	-2.0	-99.24	372.65	4.70	-94.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])C1	REAL300005062105	0	44	-2.0	-101.15	373.73	4.95	-96.20
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2CC(CC(=O)[O-])C2)C=C1	REAL300005062155	1	46	-2.0	-102.93	396.09	9.87	-93.06
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])C2)O1	REAL300005062607	1	47	-2.0	-94.61	398.43	3.15	-91.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])C2)O1	REAL300005062608	1	38	-2.0	-92.97	344.71	0.75	-92.22
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2CC(CC(=O)[O-])C2)=C1	REAL300005062839	0	48	-2.0	-105.56	407.34	2.91	-102.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])C1	REAL300005062885	0	41	-2.0	-99.82	352.26	4.04	-95.78
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2CC(CC(=O)[O-])C2)=CS1	REAL300005063259	1	45	-2.0	-100.56	386.44	5.16	-95.40
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1CC(CC(=O)[O-])C1	REAL300005063494	0	41	-2.0	-93.94	357.68	4.08	-89.86
CC1=C(CC(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005063499	1	47	-2.0	-107.53	397.31	5.35	-102.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])C1	REAL300005063503	0	47	-2.0	-101.61	395.23	5.73	-95.88
CC1=C(C(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005063574	1	47	-2.0	-96.76	376.62	5.53	-91.23
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1CC(CC(=O)[O-])C1	REAL300005064324	0	47	-2.0	-103.58	397.15	6.28	-97.30
O=C([O-])CC1CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005064519	1	37	-2.0	-99.89	328.41	7.52	-92.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])C2)C=N1	REAL300005064618	0	40	-2.0	-96.69	353.31	3.07	-93.62
O=C([O-])CC1CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005064649	1	39	-2.0	-95.64	331.12	4.49	-91.15
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])C3)=N2)=C1	REAL300005064703	0	50	-2.0	-112.29	412.90	8.13	-104.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])C3)=N2)C=C1	REAL300005064704	0	50	-2.0	-111.05	412.83	8.14	-102.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2CC(CC(=O)[O-])C2)=N1	REAL300005064780	0	44	-2.0	-107.53	379.38	7.20	-100.33
O=C([O-])CC1CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005064785	0	41	-2.0	-109.02	359.04	6.28	-102.74
O=C([O-])CC1CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005064809	1	39	-2.0	-109.89	332.22	7.15	-102.74
O=C([O-])CC1CC(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005064829	0	41	-2.0	-86.43	373.54	4.34	-82.09
O=C([O-])CC1CC(CNC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005064878	0	33	-2.0	-90.22	312.78	4.06	-86.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])C3)=N2)=C1	REAL300005064941	0	44	-2.0	-114.35	376.40	6.82	-107.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2CC(CC(=O)[O-])C2)=N1	REAL300005064942	0	47	-2.0	-112.39	386.90	8.00	-104.39
CC1=C(CC(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005065002	1	47	-2.0	-106.40	397.48	5.34	-101.06
O=C([O-])CC1CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005065045	0	34	-2.0	-90.98	313.08	5.49	-85.49
COC1=C(C(=O)NCC2CC(CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005065053	1	37	-2.0	-94.59	319.26	0.59	-94.00
CCOC1=CC(C(=O)NCC2CC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005065160	1	41	-2.0	-95.20	357.93	6.47	-88.73
O=C([O-])CC1CC(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005065164	0	44	-2.0	-115.21	381.55	7.60	-107.61
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])C3)=N2)C=C1	REAL300005065172	0	45	-2.0	-110.54	381.13	5.47	-105.07
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2CC(CC(=O)[O-])C2)=CO1	REAL300005065192	1	38	-2.0	-95.08	342.85	0.69	-94.39
O=C([O-])CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005065323	0	37	-2.0	-87.47	326.62	3.59	-83.88
O=C([O-])CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005065323	1	37	-2.0	-87.41	326.68	3.60	-83.81
COCC1=NC=C(C(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]1	REAL300005065595	1	39	-2.0	-94.83	332.97	2.14	-92.69
O=C([O-])CC1CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005065634	1	42	-2.0	-95.75	346.88	5.04	-90.71
O=C([O-])CC1CC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005065895	0	34	-2.0	-96.30	322.47	7.56	-88.74
CC1=C(C(=O)NCC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005066156	0	42	-2.0	-100.01	357.28	4.64	-95.37
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005068424	1	47	-2.0	-89.53	376.42	3.87	-85.66
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005068843	1	54	-2.0	-112.50	428.66	8.43	-104.07
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300005069891	1	43	-2.0	-102.86	347.67	8.13	-94.73
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005069902	1	46	-2.0	-113.02	368.70	10.24	-102.78
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCC1=N[N-]N=N1	REAL300005069937	0	43	-2.0	-95.68	342.06	6.44	-89.24
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCC1=NN=N[N-]1	REAL300005069937	1	43	-2.0	-95.67	342.12	6.46	-89.21
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005070003	0	49	-2.0	-99.75	397.06	5.95	-93.80
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005070028	1	48	-2.0	-119.70	372.47	7.17	-112.53
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CN=CC([O-])=C1	REAL300005070063	1	42	-2.0	-99.62	325.90	5.65	-93.97
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005070145	0	50	-2.0	-136.63	393.90	9.85	-126.78
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005070176	1	48	-2.0	-135.09	361.88	10.96	-124.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)CC2CCC(C(=O)[O-])CC2)=N1	REAL300005070306	0	56	-2.0	-140.30	420.92	11.29	-129.01
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005070413	0	43	-2.0	-97.44	354.02	8.41	-89.03
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300005070425	1	46	-2.0	-103.75	360.05	2.42	-101.33
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCCC1=N[N-]N=N1	REAL300005070502	0	46	-2.0	-103.87	363.56	7.22	-96.65
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCCC1=NN=N[N-]1	REAL300005070502	1	46	-2.0	-103.82	363.61	7.24	-96.58
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005070534	0	43	-2.0	-99.67	357.47	8.62	-91.05
CCOC1=CC(C(=O)N(CC)CC2CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005070537	1	50	-2.0	-100.58	398.90	9.38	-91.20
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005070557	1	47	-2.0	-113.14	374.92	3.62	-109.52
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005070696	0	46	-2.0	-95.00	357.23	7.65	-87.35
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005070696	1	46	-2.0	-95.02	357.30	7.65	-87.37
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=C[N-]N=CC1=O	REAL300005070923	0	41	-2.0	-100.88	317.20	5.97	-94.91
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CN=C(COC)[N-]C1=O	REAL300005070946	1	48	-2.0	-97.63	372.59	4.48	-93.15
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005070988	1	51	-2.0	-119.87	388.22	7.71	-112.16
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005071229	0	43	-2.0	-108.22	362.78	10.26	-97.96
CC1=C(CCC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005074480	1	47	-2.0	-106.08	374.26	6.07	-100.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1C	REAL300005074527	1	47	-2.0	-102.83	390.09	6.99	-95.84
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005074825	1	41	-2.0	-102.29	358.60	5.86	-96.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1F	REAL300005074842	1	44	-2.0	-103.38	378.88	6.52	-96.86
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300005074884	1	39	-2.0	-117.44	339.62	9.16	-108.28
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005074925	1	41	-2.0	-97.78	361.10	5.92	-91.86
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300005074927	1	44	-2.0	-94.92	374.75	6.64	-88.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=C1C	REAL300005074930	1	47	-2.0	-96.01	391.29	7.07	-88.94
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005075015	1	41	-2.0	-104.29	354.24	5.75	-98.54
C[C@@H](C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005075016	1	44	-2.0	-101.08	386.81	6.87	-94.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005075017	1	41	-2.0	-106.40	352.16	5.81	-100.59
CC1=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005075028	0	37	-2.0	-85.28	332.93	3.89	-81.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300005075110	1	44	-2.0	-95.32	375.78	6.44	-88.88
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300005075171	1	41	-2.0	-104.02	368.91	6.31	-97.71
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300005075172	0	45	-2.0	-112.73	381.41	5.14	-107.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300005075173	1	45	-2.0	-107.41	381.70	5.08	-102.33
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005075178	0	38	-2.0	-102.71	346.63	4.86	-97.85
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005075191	1	40	-2.0	-92.45	340.33	2.40	-90.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300005075256	1	44	-2.0	-102.40	374.87	6.48	-95.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C2C)C=C1	REAL300005075261	1	47	-2.0	-110.04	389.31	7.31	-102.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=CC=C1F	REAL300005075265	1	44	-2.0	-95.52	378.53	6.55	-88.97
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300005075266	1	44	-2.0	-97.67	376.59	6.70	-90.97
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300005075284	0	45	-2.0	-97.53	381.03	5.13	-92.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300005075285	1	44	-2.0	-102.35	379.27	6.52	-95.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C2C)=C1	REAL300005075286	1	47	-2.0	-103.90	388.82	7.30	-96.60
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300005075287	1	44	-2.0	-109.59	373.10	6.37	-103.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300005075288	1	47	-2.0	-109.71	394.09	7.09	-102.62
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300005075291	1	47	-2.0	-106.46	389.06	7.25	-99.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005075369	0	38	-2.0	-104.28	343.61	4.72	-99.56
C[C@@H](C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005075370	0	41	-2.0	-109.96	371.78	5.85	-104.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)[C@@H](C)C(=O)[O-])=CS1	REAL300005075556	1	38	-2.0	-102.60	328.79	4.46	-98.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300005075611	1	45	-2.0	-93.85	384.37	5.16	-88.69
CC1=C(CC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005075679	1	40	-2.0	-107.61	339.65	4.60	-103.01
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005075791	1	41	-2.0	-94.59	354.37	5.76	-88.83
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005076077	0	27	-2.0	-87.24	273.13	5.10	-82.14
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005076147	0	33	-2.0	-97.11	293.67	1.96	-95.15
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005076181	1	40	-2.0	-90.77	349.41	4.01	-86.76
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)=C1	REAL300005076193	0	43	-2.0	-123.53	352.67	7.70	-115.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300005076194	0	43	-2.0	-120.88	353.03	7.59	-113.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300005076216	0	37	-2.0	-117.87	319.25	6.66	-111.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005076219	0	34	-2.0	-119.41	298.69	5.80	-113.61
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005076235	0	34	-2.0	-90.47	313.70	3.24	-87.23
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300005076252	0	26	-2.0	-88.45	255.31	3.04	-85.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)=C1	REAL300005076272	0	37	-2.0	-126.45	317.16	6.43	-120.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300005076273	0	40	-2.0	-123.48	319.25	6.90	-116.58
CC1=C(CC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005076281	1	40	-2.0	-105.83	339.84	4.59	-101.24
CCOC1=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005076322	1	34	-2.0	-95.71	297.62	5.30	-90.41
C[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005076325	0	37	-2.0	-124.08	327.07	6.56	-117.52
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300005076330	0	38	-2.0	-120.67	322.44	5.03	-115.64
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1I	REAL300005077419	1	30	-2.0	-106.77	293.96	4.61	-102.16
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1I	REAL300005077493	0	29	-2.0	-104.71	287.93	5.01	-99.70
CCC[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300005077977	1	50	-2.0	-114.46	403.91	6.20	-108.26
CCC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005078296	0	40	-2.0	-115.72	346.09	4.03	-111.69
CCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300005078547	1	44	-2.0	-107.71	392.71	6.25	-101.46
CCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300005078588	0	40	-2.0	-116.68	346.76	4.27	-112.41
CCC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300005078626	1	42	-2.0	-127.45	369.36	9.13	-118.32
CCC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300005078676	1	44	-2.0	-99.82	391.65	6.32	-93.50
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300005078678	1	47	-2.0	-99.81	406.18	6.96	-92.85
CCC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005078793	1	44	-2.0	-106.35	385.24	6.25	-100.10
CCC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005078794	1	44	-2.0	-111.69	386.02	6.27	-105.42
CCC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300005078806	0	40	-2.0	-90.91	366.68	4.43	-86.48
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300005078932	1	47	-2.0	-100.43	406.83	6.91	-93.52
CCC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005079016	0	41	-2.0	-104.51	377.18	5.26	-99.25
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005079033	1	43	-2.0	-96.82	371.59	2.54	-94.28
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300005079034	1	34	-2.0	-95.91	317.98	0.01	-95.90
CCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300005079146	1	47	-2.0	-114.93	406.86	6.89	-108.04
CCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300005079185	1	47	-2.0	-115.42	407.69	6.85	-108.57
CCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005079257	0	44	-2.0	-120.80	380.50	2.26	-118.54
CCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005079305	0	37	-2.0	-114.99	324.70	3.36	-111.63
CCC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005079313	0	41	-2.0	-109.89	377.96	5.28	-104.61
CCC[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005079314	0	44	-2.0	-118.54	402.86	5.88	-112.66
CCC[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300005079628	1	41	-2.0	-110.78	359.72	4.41	-106.37
CCC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005079802	0	37	-2.0	-107.47	331.94	3.37	-104.10
CCC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300005079811	1	43	-2.0	-115.60	370.58	4.61	-110.99
CCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300005079816	0	43	-2.0	-117.41	368.50	4.98	-112.43
CCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300005079867	1	43	-2.0	-111.43	350.42	4.80	-106.63
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005079974	1	44	-2.0	-99.99	386.26	6.19	-93.80
CCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005080398	0	43	-2.0	-120.11	370.60	5.61	-114.50
CCC[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300005080481	0	30	-2.0	-93.78	305.09	5.56	-88.22
CCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005080535	1	33	-2.0	-117.36	301.68	6.78	-110.58
CCC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005080611	0	36	-2.0	-103.03	325.75	2.39	-100.64
CCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005080665	1	43	-2.0	-95.79	380.46	4.45	-91.34
CCC[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300005080680	0	46	-2.0	-132.00	385.35	7.42	-124.58
CCC[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300005080681	0	46	-2.0	-130.50	385.29	7.42	-123.08
CCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300005080735	0	40	-2.0	-126.90	352.84	6.52	-120.38
CCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005080738	0	37	-2.0	-127.73	332.33	5.52	-122.21
CCC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005080766	0	37	-2.0	-95.77	347.81	3.65	-92.12
CCC[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005080797	0	29	-2.0	-98.98	287.05	3.35	-95.63
CCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300005080835	0	40	-2.0	-135.21	349.85	6.15	-129.06
CCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300005080836	0	43	-2.0	-133.31	359.37	7.29	-126.02
CCC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300005080860	1	43	-2.0	-112.99	369.60	4.61	-108.38
CCC[C@H](NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300005080933	1	37	-2.0	-101.46	331.95	5.85	-95.61
CCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005080937	0	40	-2.0	-135.95	354.99	6.93	-129.02
CCC[C@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300005080943	0	41	-2.0	-130.04	355.40	4.76	-125.28
CCC[C@H](NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300005080958	1	34	-2.0	-102.23	316.30	0.02	-102.21
CCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005081420	0	30	-2.0	-113.44	295.74	6.81	-106.63
CCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300005081597	0	38	-2.0	-113.65	329.37	3.93	-109.72
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=C1	REAL300005082351	1	43	-2.0	-101.75	377.46	5.45	-96.30
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005082600	1	43	-2.0	-102.84	377.55	5.68	-97.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)O1	REAL300005082971	1	37	-2.0	-98.71	348.52	1.48	-97.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300005083173	0	40	-2.0	-101.60	356.09	4.78	-96.82
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=CS1	REAL300005083473	1	44	-2.0	-101.37	389.31	5.87	-95.50
CC1=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005083754	1	46	-2.0	-101.00	380.80	6.34	-94.66
COC1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C([O-])=C1	REAL300005084227	1	37	-2.0	-108.16	322.93	6.46	-101.70
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005084766	1	33	-2.0	-97.59	300.93	5.71	-91.88
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=C2C=N1	REAL300005084780	1	36	-2.0	-100.44	332.22	8.15	-92.29
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCC1=NN=N[N-]1	REAL300005084827	0	33	-2.0	-94.86	299.40	3.79	-91.07
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCC1=N[N-]N=N1	REAL300005084827	1	33	-2.0	-94.83	299.34	3.77	-91.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=N1	REAL300005084909	0	39	-2.0	-101.23	357.13	3.82	-97.41
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2C=N1	REAL300005084943	1	38	-2.0	-100.05	335.31	5.34	-94.71
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CN=CC([O-])=C1	REAL300005084983	1	32	-2.0	-96.62	289.77	3.82	-92.80
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=C2C=N1	REAL300005085098	0	40	-2.0	-108.29	361.92	6.97	-101.32
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=C2C=N1	REAL300005085143	0	38	-2.0	-109.81	336.03	7.77	-102.04
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005085429	0	33	-2.0	-94.14	316.93	6.27	-87.87
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCCC1=NN=N[N-]1	REAL300005085547	0	36	-2.0	-99.98	319.94	4.56	-95.42
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCCC1=N[N-]N=N1	REAL300005085547	1	36	-2.0	-99.99	319.88	4.55	-95.44
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005085584	0	33	-2.0	-94.03	310.73	6.20	-87.83
CCOC1=CC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=CC(Cl)=C1[O-]	REAL300005085587	1	40	-2.0	-98.09	361.78	7.24	-90.85
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=CO1	REAL300005085620	1	37	-2.0	-99.31	346.71	1.44	-97.87
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=C2C=N1	REAL300005085712	0	41	-2.0	-98.79	359.15	10.13	-88.66
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=C2C=N1	REAL300005085712	1	41	-2.0	-98.67	359.10	10.12	-88.55
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C=N1	REAL300005085787	0	36	-2.0	-92.41	331.49	4.36	-88.05
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2C=N1	REAL300005085787	1	36	-2.0	-92.44	331.43	4.35	-88.09
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=C[N-]N=CC3=O)=C2C=N1	REAL300005086070	0	31	-2.0	-90.06	282.94	4.27	-85.79
COCC1=NC=C(C(=O)NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C(=O)[N-]1	REAL300005086104	1	38	-2.0	-98.67	337.43	2.95	-95.72
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=C2C=N1	REAL300005086152	1	41	-2.0	-98.30	350.00	5.82	-92.48
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=C2C=N1	REAL300005086462	0	33	-2.0	-97.26	326.30	8.19	-89.07
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300005087184	1	44	-2.0	-108.04	394.10	7.93	-100.11
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300005087185	1	38	-2.0	-116.82	343.44	5.85	-110.97
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300005087186	1	38	-2.0	-116.82	343.44	5.85	-110.97
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2CCCC(C(=O)[O-])C2)=N1	REAL300005087187	1	47	-2.0	-106.46	396.01	7.47	-98.99
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N1	REAL300005087190	1	46	-2.0	-98.03	378.58	6.68	-91.35
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300005087192	1	47	-2.0	-96.17	395.22	7.47	-88.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300005087193	1	47	-2.0	-96.66	396.54	7.50	-89.16
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300005087194	1	44	-2.0	-101.02	394.09	7.94	-93.08
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300005087195	1	40	-2.0	-104.07	371.24	3.93	-100.14
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300005087198	1	44	-2.0	-105.68	376.80	6.85	-98.83
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300005087202	1	42	-2.0	-98.45	372.67	6.84	-91.61
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300005087203	1	41	-2.0	-117.58	356.89	6.26	-111.32
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300005087204	1	40	-2.0	-114.36	351.30	6.35	-108.01
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N1	REAL300005087205	1	46	-2.0	-98.03	378.58	6.68	-91.35
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CCCC(=O)[O-])=N1	REAL300005087206	1	40	-2.0	-103.73	356.23	5.86	-97.87
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC(C)CC(=O)[O-])=N1	REAL300005087207	1	43	-2.0	-101.47	368.83	6.33	-95.14
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300005087209	1	44	-2.0	-119.57	374.41	6.87	-112.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300005087212	1	41	-2.0	-102.63	376.16	5.41	-97.22
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CCSCC(=O)[O-])=N1	REAL300005087213	1	41	-2.0	-94.25	379.25	6.45	-87.80
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)COCC(=O)[O-])=N1	REAL300005087215	1	38	-2.0	-107.07	348.36	5.02	-102.05
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300005087217	1	45	-2.0	-107.46	391.75	6.68	-100.78
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300005087218	1	46	-2.0	-104.88	389.39	6.80	-98.08
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300005087220	1	44	-2.0	-105.68	376.80	6.85	-98.83
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300005087224	1	41	-2.0	-116.87	375.50	5.43	-111.44
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300005087225	1	41	-2.0	-125.90	357.61	6.11	-119.79
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300005087226	1	41	-2.0	-125.90	357.61	6.11	-119.79
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])=N1	REAL300005087227	1	38	-2.0	-123.53	344.23	5.70	-117.83
CCC(C(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300005087229	1	40	-2.0	-117.32	354.38	5.70	-111.62
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N1	REAL300005087230	1	43	-2.0	-115.28	364.71	6.04	-109.24
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300005087231	1	47	-2.0	-120.38	383.80	7.89	-112.49
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])=N1	REAL300005087232	1	38	-2.0	-104.06	345.80	5.79	-98.27
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2CC3(CC3C(=O)[O-])C2)=N1	REAL300005087233	1	45	-2.0	-103.31	391.81	7.62	-95.69
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300005087234	1	41	-2.0	-106.81	361.17	6.25	-100.56
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)=N1	REAL300005087235	1	47	-2.0	-126.67	402.78	8.22	-118.45
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2CC(C)(C(=O)[O-])C2)=N1	REAL300005087237	1	44	-2.0	-102.32	378.55	6.68	-95.64
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300005087241	1	43	-2.0	-116.54	370.97	6.51	-110.03
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300005087244	1	42	-2.0	-119.73	366.57	6.77	-112.96
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CC2(CC(=O)[O-])CC2)=N1	REAL300005087246	1	44	-2.0	-108.82	382.01	6.97	-101.85
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(OC)C(=O)[O-])=N1	REAL300005087248	1	38	-2.0	-117.02	346.66	4.87	-112.15
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300005087249	1	41	-2.0	-124.59	361.34	7.32	-117.27
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300005087250	1	43	-2.0	-98.69	379.84	4.79	-93.90
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(C)C(=O)[O-])=N1	REAL300005087251	1	37	-2.0	-113.20	331.51	5.83	-107.37
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300005087252	1	41	-2.0	-117.32	361.10	6.42	-110.90
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300005087255	1	42	-2.0	-119.50	371.54	6.84	-112.66
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300005087257	1	47	-2.0	-128.07	399.09	7.32	-120.75
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300005087258	1	44	-2.0	-122.83	376.88	6.84	-115.99
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)=C1	REAL300005087976	1	40	-2.0	-104.50	351.78	3.86	-100.64
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1C	REAL300005088297	1	40	-2.0	-105.66	352.83	4.13	-101.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])N=C2C)C=C1	REAL300005088348	1	42	-2.0	-110.85	373.00	8.99	-101.86
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005088797	1	43	-2.0	-90.23	379.25	2.36	-87.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)O1	REAL300005088798	1	34	-2.0	-89.94	323.80	-0.06	-90.00
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005089073	0	37	-2.0	-104.35	330.39	3.20	-101.15
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005089444	1	41	-2.0	-108.18	364.59	4.30	-103.88
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005089683	0	37	-2.0	-97.76	336.80	3.26	-94.50
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005089686	1	43	-2.0	-111.37	374.52	4.45	-106.92
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1C	REAL300005089689	1	43	-2.0	-106.10	374.33	4.91	-101.19
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300005089770	1	43	-2.0	-92.60	354.57	4.72	-87.88
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)C([O-])=C1	REAL300005090249	1	34	-2.0	-113.51	298.21	4.92	-108.59
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005090592	0	43	-2.0	-109.95	376.27	5.45	-104.50
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005090795	1	33	-2.0	-105.00	307.50	6.60	-98.40
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005090904	0	36	-2.0	-96.56	331.44	2.23	-94.33
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005090937	1	35	-2.0	-91.48	309.47	3.68	-87.80
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005090995	0	46	-2.0	-113.64	390.96	7.24	-106.40
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005090996	0	46	-2.0	-112.80	390.95	7.25	-105.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)=N1	REAL300005091082	0	40	-2.0	-109.95	353.76	6.37	-103.58
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005091087	0	37	-2.0	-111.61	337.17	5.39	-106.22
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005091116	0	35	-2.0	-112.98	310.33	6.18	-106.80
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005091193	0	29	-2.0	-93.03	291.91	3.24	-89.79
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3C)=N2)=C1	REAL300005091261	0	40	-2.0	-117.32	355.51	5.97	-111.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)=N1	REAL300005091262	0	43	-2.0	-114.90	365.72	7.17	-107.73
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005091332	1	43	-2.0	-110.13	374.71	4.44	-105.69
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005091381	0	30	-2.0	-92.60	292.20	4.69	-87.91
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005091510	0	30	-2.0	-91.52	285.99	4.63	-86.89
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)=CC(Cl)=C1[O-]	REAL300005091514	1	37	-2.0	-95.55	337.05	5.66	-89.89
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3C)=N2)C=C1	REAL300005091526	0	41	-2.0	-112.87	360.24	4.62	-108.25
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)=CO1	REAL300005091548	1	34	-2.0	-100.91	321.97	-0.13	-101.04
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300005091636	0	38	-2.0	-98.38	335.38	8.60	-89.78
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300005091636	1	38	-2.0	-98.45	335.33	8.60	-89.85
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005091701	0	33	-2.0	-87.75	305.72	2.77	-84.98
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005091701	1	33	-2.0	-87.67	305.78	2.77	-84.90
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2C)C(=O)[N-]1	REAL300005092013	1	35	-2.0	-91.14	311.06	1.32	-89.82
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005092058	1	38	-2.0	-91.47	325.23	4.23	-87.24
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005092354	0	30	-2.0	-100.69	301.57	6.65	-94.04
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300005092638	0	38	-2.0	-96.00	333.32	3.72	-92.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC3=CC=C(C(=O)[O-])C=C3O2)O1	REAL300005093948	1	41	-2.0	-92.94	384.44	2.21	-90.73
CC1=C(C(=O)NCCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005094571	1	50	-2.0	-92.56	416.08	7.01	-85.55
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C([O-])C(F)=C3)OC2=C1	REAL300005095471	1	37	-2.0	-97.99	337.80	6.45	-91.54
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])OC2=C1	REAL300005095485	1	40	-2.0	-107.41	368.13	9.00	-98.41
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCC3=N[N-]N=N3)OC2=C1	REAL300005095546	0	37	-2.0	-95.31	335.26	4.52	-90.79
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCC3=NN=N[N-]3)OC2=C1	REAL300005095546	1	37	-2.0	-95.30	335.31	4.53	-90.77
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CN=C(C4CC4)[N-]C3=O)OC2=C1	REAL300005095640	1	42	-2.0	-92.13	370.86	5.95	-86.18
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CN=CC([O-])=C3)OC2=C1	REAL300005095667	1	36	-2.0	-101.53	326.65	4.57	-96.96
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)OC2=C1	REAL300005095808	1	42	-2.0	-113.36	371.95	8.62	-104.74
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)OC2=C1	REAL300005096082	0	37	-2.0	-95.56	353.81	7.00	-88.56
COC1=C(C(=O)NCCC2=CC3=CC=C(C(=O)[O-])C=C3O2)NC(=O)[N-]C1=O	REAL300005096101	1	40	-2.0	-98.20	359.96	2.09	-96.11
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCCC3=N[N-]N=N3)OC2=C1	REAL300005096192	0	40	-2.0	-104.41	356.75	5.30	-99.11
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCCC3=NN=N[N-]3)OC2=C1	REAL300005096192	1	40	-2.0	-104.44	356.81	5.31	-99.13
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C([O-])C(Cl)=C3)OC2=C1	REAL300005096224	0	37	-2.0	-94.74	347.60	6.95	-87.79
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=CO1	REAL300005096254	1	41	-2.0	-104.09	383.58	2.19	-101.90
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)OC2=C1	REAL300005096395	0	40	-2.0	-90.01	367.35	5.09	-84.92
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)OC2=C1	REAL300005096395	1	40	-2.0	-89.96	367.41	5.10	-84.86
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=C[N-]N=CC3=O)OC2=C1	REAL300005096640	0	35	-2.0	-85.34	318.86	5.00	-80.34
COCC1=NC=C(C(=O)NCCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C(=O)[N-]1	REAL300005096672	1	42	-2.0	-91.80	372.70	3.59	-88.21
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)OC2=C1	REAL300005096713	1	45	-2.0	-92.04	386.61	6.50	-85.54
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])OC2=C1	REAL300005096987	0	37	-2.0	-102.70	362.21	9.03	-93.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)O1	REAL300005098988	1	40	-2.0	-99.44	353.69	2.18	-97.26
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC2=CC(C(=O)[O-])=CC=C2C1	REAL300005099181	0	43	-2.0	-98.54	368.28	4.97	-93.57
CC1=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005099729	1	49	-2.0	-110.42	400.96	6.35	-104.07
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CCOC2=C1	REAL300005100742	1	36	-2.0	-95.45	310.82	6.00	-89.45
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CCOC2=C1	REAL300005100755	1	39	-2.0	-95.50	336.92	6.76	-88.74
O=C([O-])C1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCOC2=C1	REAL300005100811	0	36	-2.0	-93.67	310.93	4.52	-89.15
O=C([O-])C1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCOC2=C1	REAL300005100811	1	36	-2.0	-93.69	310.98	4.54	-89.15
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C=N1	REAL300005100892	0	42	-2.0	-103.21	362.82	3.86	-99.35
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CCOC2=C1	REAL300005100923	1	41	-2.0	-98.24	352.68	5.57	-92.67
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=CC([O-])=C3)CCOC2=C1	REAL300005100962	1	35	-2.0	-94.82	299.54	4.13	-90.69
O=C([O-])C1=CC=C2CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CCOC2=C1	REAL300005101074	0	43	-2.0	-109.49	364.81	7.94	-101.55
O=C([O-])C1=CC=C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCOC2=C1	REAL300005101121	1	41	-2.0	-109.92	337.82	9.24	-100.68
O=C([O-])C1=CC=C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCOC2=C1	REAL300005101411	0	36	-2.0	-92.59	326.85	6.54	-86.05
COC1=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)NC(=O)[N-]C1=O	REAL300005101430	1	39	-2.0	-94.10	341.80	0.60	-93.50
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCOC2=C1	REAL300005101527	0	39	-2.0	-102.35	332.48	5.30	-97.05
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCOC2=C1	REAL300005101527	1	39	-2.0	-102.35	332.53	5.31	-97.04
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CCOC2=C1	REAL300005101563	0	36	-2.0	-92.19	320.62	6.48	-85.71
CCOC1=CC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=CC(Cl)=C1[O-]	REAL300005101567	1	43	-2.0	-96.72	371.70	7.52	-89.20
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)=CO1	REAL300005101600	1	40	-2.0	-97.42	346.66	1.67	-95.75
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCOC2=C1	REAL300005101762	0	39	-2.0	-93.73	331.96	5.78	-87.95
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCOC2=C1	REAL300005101762	1	39	-2.0	-93.67	332.02	5.79	-87.88
O=C([O-])C1=CC=C2CN(C(=O)C3=C[N-]N=CC3=O)CCOC2=C1	REAL300005102042	0	34	-2.0	-89.30	300.78	4.58	-84.72
COCC1=NC=C(C(=O)N2CCOC3=CC(C(=O)[O-])=CC=C3C2)C(=O)[N-]1	REAL300005102075	1	41	-2.0	-96.22	342.74	2.87	-93.35
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCOC2=C1	REAL300005102123	1	44	-2.0	-97.88	368.54	6.12	-91.76
O=C([O-])C1=CC=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCOC2=C1	REAL300005102428	0	36	-2.0	-93.69	327.83	6.97	-86.72
CCN(C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(C)C(=O)[O-]	REAL300005103315	1	50	-2.0	-99.94	389.60	6.89	-93.05
CCN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(C)C(=O)[O-]	REAL300005103733	1	44	-2.0	-96.30	379.23	6.66	-89.64
CCN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(C)C(=O)[O-]	REAL300005103791	1	42	-2.0	-120.23	352.62	9.82	-110.41
CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(C)C(=O)[O-]	REAL300005103836	1	44	-2.0	-95.21	370.88	6.45	-88.76
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(C)C(=O)[O-]	REAL300005103838	1	47	-2.0	-95.68	386.14	7.16	-88.52
CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300005103927	1	44	-2.0	-101.69	364.48	6.38	-95.31
CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300005103928	1	44	-2.0	-104.84	373.05	6.64	-98.20
CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(C)C(=O)[O-]	REAL300005103938	0	40	-2.0	-85.62	347.99	4.58	-81.04
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(C)C(=O)[O-]	REAL300005104038	1	47	-2.0	-95.75	386.06	7.04	-88.71
CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300005104105	0	41	-2.0	-104.96	360.07	5.77	-99.19
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)C(=O)[O-]	REAL300005104122	1	43	-2.0	-92.72	354.96	3.41	-89.31
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(C)C(=O)[O-]	REAL300005104123	1	34	-2.0	-91.10	299.61	0.91	-90.19
CCN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(C)C(=O)[O-]	REAL300005104217	1	47	-2.0	-103.01	394.45	7.31	-95.70
CCN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(C)C(=O)[O-]	REAL300005104244	1	47	-2.0	-103.48	394.45	7.32	-96.16
CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)C(=O)[O-]	REAL300005104332	0	41	-2.0	-106.33	356.07	5.47	-100.86
CCN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300005104333	0	44	-2.0	-107.81	387.94	6.67	-101.14
CCN(C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(C)C(=O)[O-]	REAL300005104555	1	41	-2.0	-119.60	348.18	6.04	-113.56
CCN(C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300005104701	1	43	-2.0	-109.37	355.67	5.42	-103.95
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300005104830	1	44	-2.0	-95.72	365.96	6.34	-89.38
CCN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(C)C(=O)[O-]	REAL300005105215	0	30	-2.0	-89.86	283.78	5.78	-84.08
CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300005105252	1	33	-2.0	-104.23	282.72	5.83	-98.40
CCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)C(=O)[O-]	REAL300005105308	0	36	-2.0	-97.50	306.96	2.45	-95.05
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)C(=O)[O-]	REAL300005105349	1	43	-2.0	-91.94	361.27	4.61	-87.33
CCN(C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300005105363	0	46	-2.0	-124.37	368.12	8.64	-115.73
CCN(C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300005105364	0	46	-2.0	-123.96	368.38	8.63	-115.33
CCN(C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(C)C(=O)[O-]	REAL300005105400	0	40	-2.0	-119.77	335.58	7.29	-112.48
CCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300005105403	0	37	-2.0	-120.93	314.27	6.80	-114.13
CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300005105424	0	37	-2.0	-91.90	325.39	3.86	-88.04
CCN(C(=O)C1=CN=C(I)C([O-])=C1)C(C)C(=O)[O-]	REAL300005105450	0	29	-2.0	-91.52	273.61	3.74	-87.78
CCN(C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(C)C(=O)[O-]	REAL300005105474	0	40	-2.0	-127.55	332.25	7.34	-120.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)C(C)C(=O)[O-])=N1	REAL300005105475	0	43	-2.0	-125.38	345.16	8.18	-117.20
CCN(C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300005105489	1	43	-2.0	-107.48	355.12	5.36	-102.12
CCOC1=CC(C(=O)N(CC)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005105542	1	37	-2.0	-97.30	319.97	6.27	-91.03
CCN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300005105545	0	40	-2.0	-125.40	342.84	7.42	-117.98
CCN(C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300005105548	0	41	-2.0	-124.04	338.56	6.01	-118.03
CCN(C(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(C)C(=O)[O-]	REAL300005105557	1	34	-2.0	-96.83	296.84	0.52	-96.31
CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C(=O)[O-]	REAL300005105906	0	30	-2.0	-100.13	277.91	5.72	-94.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=C1	REAL300005108571	1	41	-2.0	-97.48	364.77	6.21	-91.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005108840	1	41	-2.0	-98.57	364.85	6.43	-92.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)O1	REAL300005109262	1	35	-2.0	-86.38	335.82	2.24	-84.14
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005109505	0	38	-2.0	-97.32	343.39	5.54	-91.78
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=CS1	REAL300005109839	1	42	-2.0	-101.07	377.59	6.64	-94.43
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CN=C2C=C(C(=O)[O-])C=CN12	REAL300005110055	0	38	-2.0	-91.28	349.79	5.61	-85.67
CC1=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005110142	1	44	-2.0	-87.14	368.35	7.08	-80.06
COC1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C([O-])=C1	REAL300005110634	1	35	-2.0	-104.67	310.23	7.21	-97.46
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C([O-])C(F)=C3)N2C=C1	REAL300005111187	1	31	-2.0	-89.51	289.19	6.47	-83.04
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])N2C=C1	REAL300005111200	1	34	-2.0	-96.61	319.52	8.90	-87.71
O=C([O-])C1=CC2=NC=C(NC(=O)CCC3=NN=N[N-]3)N2C=C1	REAL300005111234	0	31	-2.0	-88.47	286.73	4.54	-83.93
O=C([O-])C1=CC2=NC=C(NC(=O)CCC3=N[N-]N=N3)N2C=C1	REAL300005111234	1	31	-2.0	-88.44	286.67	4.53	-83.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C=N1	REAL300005111323	0	37	-2.0	-91.67	344.43	4.56	-87.11
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)N2C=C1	REAL300005111358	1	36	-2.0	-86.42	322.61	6.08	-80.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=N1	REAL300005111512	0	41	-2.0	-101.80	366.08	8.67	-93.13
O=C([O-])C1=CC2=NC=C(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])N2C=C1	REAL300005111517	0	38	-2.0	-103.44	350.18	7.74	-95.70
O=C([O-])C1=CC2=NC=C(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)N2C=C1	REAL300005111559	0	36	-2.0	-103.93	323.33	8.52	-95.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)=N2)=C1	REAL300005111726	0	41	-2.0	-108.91	368.51	8.33	-100.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=N1	REAL300005111727	0	44	-2.0	-106.87	385.01	9.41	-97.46
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)N2C=C1	REAL300005111866	0	31	-2.0	-87.02	305.20	7.03	-79.99
O=C([O-])C1=CC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)N2C=C1	REAL300005111983	0	34	-2.0	-98.00	308.23	5.32	-92.68
O=C([O-])C1=CC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)N2C=C1	REAL300005111983	1	34	-2.0	-97.94	308.17	5.31	-92.63
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)N2C=C1	REAL300005112022	0	31	-2.0	-86.24	298.99	6.96	-79.28
CCOC1=CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=CC(Cl)=C1[O-]	REAL300005112026	1	38	-2.0	-90.30	350.04	8.00	-82.30
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CN=C4C=C(C(=O)[O-])C=CN34)=N2)C=C1	REAL300005112035	0	42	-2.0	-104.79	373.24	6.98	-97.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)=CO1	REAL300005112059	1	35	-2.0	-95.06	334.97	2.21	-92.85
O=C([O-])C1=CC2=NC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)N2C=C1	REAL300005112149	0	39	-2.0	-91.13	347.43	10.88	-80.25
O=C([O-])C1=CC2=NC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)N2C=C1	REAL300005112149	1	39	-2.0	-91.19	347.38	10.90	-80.29
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N2C=C1	REAL300005112221	0	34	-2.0	-83.27	318.79	5.11	-78.16
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N2C=C1	REAL300005112221	1	34	-2.0	-83.27	318.72	5.10	-78.17
COCC1=NC=C(C(=O)NC2=CN=C3C=C(C(=O)[O-])C=CN23)C(=O)[N-]1	REAL300005112557	1	36	-2.0	-85.56	324.72	3.69	-81.87
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)N2C=C1	REAL300005112606	1	39	-2.0	-85.98	338.62	6.57	-79.41
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])N2C=C1	REAL300005112932	0	31	-2.0	-92.74	313.59	8.93	-83.81
CC1=C(CCC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005114062	1	54	-2.0	-119.17	415.57	8.47	-110.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300005114612	1	46	-2.0	-104.63	378.43	11.25	-93.38
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300005114973	1	47	-2.0	-115.52	382.54	5.02	-110.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300005114974	1	38	-2.0	-112.08	326.73	2.55	-109.53
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CCCC2)=CS1	REAL300005115473	1	45	-2.0	-100.15	372.76	6.94	-93.21
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005115665	1	47	-2.0	-108.80	381.40	6.92	-101.88
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCC1	REAL300005116439	1	37	-2.0	-120.82	317.32	7.63	-113.19
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300005116515	0	40	-2.0	-109.65	331.58	4.21	-105.44
O=C([O-])CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCC1	REAL300005116533	1	39	-2.0	-126.02	323.14	5.79	-120.23
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300005116581	0	50	-2.0	-134.98	393.69	10.14	-124.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300005116582	0	50	-2.0	-130.96	394.34	10.17	-120.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300005116634	0	44	-2.0	-126.02	362.11	9.28	-116.74
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCC1	REAL300005116639	0	41	-2.0	-124.44	340.25	8.31	-116.13
O=C([O-])CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCC1	REAL300005116657	1	39	-2.0	-128.01	313.51	9.50	-118.51
O=C([O-])CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCCC1	REAL300005116675	0	41	-2.0	-102.16	340.25	4.65	-97.51
O=C([O-])CN(C(=O)C1=CN=C(I)C([O-])=C1)C1CCCC1	REAL300005116715	0	33	-2.0	-92.71	292.06	5.22	-87.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300005116763	0	44	-2.0	-136.20	359.53	8.89	-127.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300005116764	0	47	-2.0	-130.21	356.61	9.55	-120.66
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005116806	1	47	-2.0	-106.78	380.67	6.86	-99.92
O=C([O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCC1	REAL300005116841	0	34	-2.0	-94.37	292.11	6.73	-87.64
COC1=C(C(=O)N(CC(=O)[O-])C2CCCC2)NC(=O)[N-]C1=O	REAL300005116847	1	37	-2.0	-102.39	312.38	0.92	-101.47
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=CC(Cl)=C1[O-]	REAL300005116925	1	41	-2.0	-101.71	336.96	7.70	-94.01
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCCC1	REAL300005116928	0	44	-2.0	-143.13	370.18	9.15	-133.98
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300005116933	0	45	-2.0	-131.14	364.25	7.53	-123.61
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=CO1	REAL300005116944	1	38	-2.0	-109.15	322.88	2.08	-107.07
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300005117050	0	37	-2.0	-96.60	310.28	6.13	-90.47
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300005117050	1	37	-2.0	-96.56	310.35	6.14	-90.42
COCC1=NC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]1	REAL300005117261	1	39	-2.0	-123.61	324.99	3.44	-120.17
O=C([O-])CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCC1	REAL300005117295	1	42	-2.0	-126.54	338.89	6.33	-120.21
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300005117490	0	34	-2.0	-118.32	311.90	7.67	-110.65
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005118837	1	45	-2.0	-104.18	396.91	9.36	-94.82
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300005118889	0	45	-2.0	-99.74	394.36	7.40	-92.34
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300005118889	1	45	-2.0	-99.71	394.42	7.41	-92.30
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300005118926	1	44	-2.0	-108.75	385.57	7.49	-101.26
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300005119080	0	48	-2.0	-110.76	415.92	8.17	-102.59
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300005119080	1	48	-2.0	-110.83	415.98	8.19	-102.64
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300005119192	0	43	-2.0	-107.39	377.96	7.87	-99.52
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCOCC2	REAL300005120226	0	43	-2.0	-103.61	341.02	6.72	-96.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=C1	REAL300005120408	0	49	-2.0	-97.60	386.00	4.06	-93.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005120656	0	49	-2.0	-103.07	389.01	4.24	-98.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)O1	REAL300005121040	1	43	-2.0	-99.63	357.52	0.55	-99.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCOCC2	REAL300005121256	0	46	-2.0	-101.60	367.55	3.34	-98.26
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=CS1	REAL300005121568	1	50	-2.0	-94.37	402.48	4.93	-89.44
CC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005121852	1	52	-2.0	-106.26	401.66	4.74	-101.52
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCOCC2	REAL300005122878	1	39	-2.0	-93.89	310.19	4.31	-89.58
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCOCC2	REAL300005122891	1	42	-2.0	-96.05	340.15	6.82	-89.23
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300005122933	0	39	-2.0	-87.37	309.81	2.77	-84.60
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300005122933	1	39	-2.0	-87.35	309.87	2.79	-84.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C=N1	REAL300005123016	0	45	-2.0	-100.74	367.07	2.39	-98.35
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCOCC2	REAL300005123051	1	44	-2.0	-103.29	353.53	3.95	-99.34
O=C([O-])C1CN(C(=O)C2=CN=CC([O-])=C2)CC12CCOCC2	REAL300005123093	1	38	-2.0	-90.49	297.64	2.32	-88.17
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCOCC2	REAL300005123206	0	46	-2.0	-108.65	371.87	6.27	-102.38
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCOCC2	REAL300005123252	1	44	-2.0	-116.42	344.77	7.39	-109.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=N1	REAL300005123411	0	52	-2.0	-114.16	402.87	7.74	-106.42
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300005123543	0	39	-2.0	-90.83	327.87	4.92	-85.91
COC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)NC(=O)[N-]C1=O	REAL300005123561	1	42	-2.0	-93.22	334.45	0.36	-92.86
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300005123660	0	42	-2.0	-90.25	333.00	3.61	-86.64
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300005123660	1	42	-2.0	-90.23	333.06	3.62	-86.61
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300005123698	0	39	-2.0	-90.37	319.99	4.79	-85.58
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=CC(Cl)=C1[O-]	REAL300005123701	1	46	-2.0	-95.78	372.71	5.89	-89.89
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)=CO1	REAL300005123733	1	43	-2.0	-96.53	353.04	0.11	-96.42
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300005123899	0	42	-2.0	-87.63	338.51	3.80	-83.83
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300005123899	1	42	-2.0	-87.63	338.57	3.81	-83.82
O=C([O-])C1CN(C(=O)C2=C[N-]N=CC2=O)CC12CCOCC2	REAL300005124187	0	37	-2.0	-91.92	301.59	2.95	-88.97
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCOCC3)C(=O)[N-]1	REAL300005124222	1	44	-2.0	-105.08	346.57	1.45	-103.63
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCOCC2	REAL300005124271	1	47	-2.0	-106.81	360.33	4.41	-102.40
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300005124591	0	39	-2.0	-94.11	334.23	6.86	-87.25
CC1=C(NC(=O)CCC2=C(C)N=C(N3CCOCC3)NC2=O)NN=C1C(=O)[O-]	REAL300005125965	0	48	-2.0	-100.13	394.38	5.27	-94.86
CC1=C(NC(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005125965	1	48	-2.0	-100.13	394.38	5.27	-94.86
CC1=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300005126325	1	38	-2.0	-100.43	336.54	3.08	-97.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005126638	1	38	-2.0	-101.64	336.62	3.30	-98.34
CC1=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)NN=C1C(=O)[O-]	REAL300005126687	1	40	-2.0	-107.39	358.99	8.23	-99.16
CC1=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)NN=C1C(=O)[O-]	REAL300005127137	1	41	-2.0	-88.78	361.19	1.64	-87.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)O1	REAL300005127138	1	32	-2.0	-88.89	307.57	-0.90	-89.79
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=C1	REAL300005127371	0	42	-2.0	-107.64	370.95	1.31	-106.33
CC1=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300005127416	0	35	-2.0	-100.36	315.16	2.41	-97.95
CC1=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)NN=C1C(=O)[O-]	REAL300005127791	1	39	-2.0	-103.81	349.38	3.51	-100.30
CC1=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300005128025	0	35	-2.0	-94.16	321.57	2.47	-91.69
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005128031	1	41	-2.0	-106.44	359.30	3.66	-102.78
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300005128036	1	41	-2.0	-102.03	358.12	4.09	-97.94
CC1=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005128106	1	41	-2.0	-92.13	339.27	3.89	-88.24
CC1=C(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300005128835	0	41	-2.0	-105.71	361.03	4.66	-101.05
CC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129027	1	31	-2.0	-100.04	291.29	5.78	-94.26
CC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)NN=C1C(=O)[O-]	REAL300005129125	0	34	-2.0	-94.30	316.20	1.43	-92.87
CC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005129155	1	33	-2.0	-91.05	294.04	2.84	-88.21
CC1=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129210	0	44	-2.0	-109.74	375.79	6.47	-103.27
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005129210	1	44	-2.0	-110.54	378.19	6.32	-104.22
CC1=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129211	0	44	-2.0	-108.72	375.72	6.47	-102.25
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005129211	1	44	-2.0	-109.51	378.12	6.33	-103.18
CC1=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129285	0	38	-2.0	-105.78	337.84	5.54	-100.24
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005129285	1	38	-2.0	-106.69	345.68	5.43	-101.26
CC1=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129289	0	35	-2.0	-107.39	321.95	4.62	-102.77
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005129289	1	35	-2.0	-107.88	324.34	4.47	-103.41
CC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)NN=C1C(=O)[O-]	REAL300005129313	0	33	-2.0	-108.97	295.08	5.41	-103.56
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005129313	1	33	-2.0	-110.42	297.49	5.30	-105.12
CC1=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)NN=C1C(=O)[O-]	REAL300005129332	0	35	-2.0	-87.67	337.43	2.74	-84.93
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005129332	1	35	-2.0	-84.70	339.79	2.57	-82.13
CC1=C(NC(=O)C2=CN=C(I)C([O-])=C2)NN=C1C(=O)[O-]	REAL300005129381	0	27	-2.0	-89.44	276.67	2.44	-87.00
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005129381	1	27	-2.0	-86.75	279.03	2.28	-84.47
CC1=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129443	0	38	-2.0	-112.99	340.28	5.20	-107.79
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005129443	1	38	-2.0	-113.83	342.68	5.05	-108.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=N1	REAL300005129444	0	41	-2.0	-110.63	349.80	6.34	-104.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2C)=N1	REAL300005129444	1	41	-2.0	-111.53	352.18	6.19	-105.34
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005129501	1	41	-2.0	-105.27	359.48	3.65	-101.62
CC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)NN=C1C(=O)[O-]	REAL300005129541	0	28	-2.0	-89.12	276.97	3.89	-85.23
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005129541	1	28	-2.0	-85.91	279.35	3.74	-82.17
CCOC1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300005129653	1	35	-2.0	-92.71	321.81	4.87	-87.84
CC1=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])NN=C1C(=O)[O-]	REAL300005129657	0	38	-2.0	-112.64	345.44	5.98	-106.66
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005129657	1	38	-2.0	-113.66	347.82	5.84	-107.82
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)=N2)C=C1	REAL300005129665	0	39	-2.0	-108.86	345.02	3.85	-105.01
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C)=N2)C=C1	REAL300005129665	1	39	-2.0	-109.57	347.40	3.70	-105.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=CO1	REAL300005129686	1	32	-2.0	-96.97	306.72	-0.92	-97.89
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)NN=C1C(=O)[O-]	REAL300005129756	0	36	-2.0	-95.57	319.17	7.78	-87.79
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)NN=C1C(=O)[O-]	REAL300005129756	1	36	-2.0	-95.56	319.22	7.77	-87.79
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NN=C1C(=O)[O-]	REAL300005129812	0	31	-2.0	-85.54	290.50	1.98	-83.56
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NN=C1C(=O)[O-]	REAL300005129812	1	31	-2.0	-85.50	290.56	1.99	-83.51
COCC1=NC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C(=O)[N-]1	REAL300005130078	1	33	-2.0	-90.49	295.88	0.50	-89.99
CC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005130115	1	36	-2.0	-90.99	309.79	3.39	-87.60
CC1=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])NN=C1C(=O)[O-]	REAL300005130371	0	28	-2.0	-96.26	285.37	5.81	-90.45
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005130371	1	28	-2.0	-96.11	287.73	5.70	-90.41
CC1=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300005130628	0	36	-2.0	-95.45	319.50	2.96	-92.49
O=C([O-])C1CC2CC(NC(=O)C3=N[N-]C4=CC=CC=C4C3=O)C2C1	REAL300005131237	0	39	-2.0	-107.87	322.78	7.22	-100.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC3CC(C(=O)[O-])CC32)=C1	REAL300005131478	0	45	-2.0	-110.01	370.97	5.58	-104.43
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005131793	0	45	-2.0	-100.34	371.45	5.26	-95.08
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC3CC(C(=O)[O-])CC32)C=C1	REAL300005131843	1	47	-2.0	-118.01	394.71	10.17	-107.84
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)O1	REAL300005132286	1	48	-2.0	-90.06	397.89	3.47	-86.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)O1	REAL300005132287	1	39	-2.0	-89.61	342.44	1.07	-88.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005132560	0	42	-2.0	-99.03	349.98	4.36	-94.67
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC3CC(C(=O)[O-])CC32)=CS1	REAL300005132929	1	46	-2.0	-120.04	386.00	5.47	-114.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005133165	0	42	-2.0	-103.36	355.99	4.97	-98.39
CC1=C(CC(=O)NC2CC3CC(C(=O)[O-])CC32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005133168	1	48	-2.0	-118.42	395.35	5.61	-112.81
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CC(C(=O)[O-])CC21	REAL300005133171	0	48	-2.0	-100.79	392.95	6.05	-94.74
CC1=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005133251	1	48	-2.0	-101.60	372.53	6.35	-95.25
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2C1	REAL300005134282	1	38	-2.0	-110.11	324.61	8.35	-101.76
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C=N1	REAL300005134390	0	41	-2.0	-102.91	349.52	3.91	-99.00
O=C([O-])C1CC2CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C2C1	REAL300005134423	1	40	-2.0	-92.11	328.91	4.80	-87.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC4CC(C(=O)[O-])CC43)=N2)=C1	REAL300005134481	0	51	-2.0	-129.34	412.47	8.45	-120.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC4CC(C(=O)[O-])CC43)=N2)C=C1	REAL300005134482	0	51	-2.0	-127.04	397.87	9.43	-117.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC3CC(C(=O)[O-])CC32)=N1	REAL300005134572	0	45	-2.0	-106.90	378.09	7.55	-99.35
O=C([O-])C1CC2CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2C1	REAL300005134577	0	42	-2.0	-107.87	356.79	6.58	-101.29
O=C([O-])C1CC2CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2C1	REAL300005134608	1	40	-2.0	-127.72	331.18	7.44	-120.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC4CC(C(=O)[O-])CC43)=N2)=C1	REAL300005134761	0	45	-2.0	-126.49	373.61	7.69	-118.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC3CC(C(=O)[O-])CC32)=N1	REAL300005134762	0	48	-2.0	-131.34	393.44	8.27	-123.07
CC1=C(CC(=O)NC2CC3CC(C(=O)[O-])CC32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005134833	1	48	-2.0	-116.66	395.53	5.60	-111.06
O=C([O-])C1CC2CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2C1	REAL300005134883	0	35	-2.0	-92.18	312.26	5.89	-86.29
COC1=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)NC(=O)[N-]C1=O	REAL300005134894	1	38	-2.0	-91.81	317.76	0.92	-90.89
O=C([O-])C1CC2CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)C2C1	REAL300005135019	0	35	-2.0	-97.05	304.09	6.31	-90.74
CCOC1=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=CC(Cl)=C1[O-]	REAL300005135022	1	42	-2.0	-95.93	357.11	6.86	-89.07
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC4CC(C(=O)[O-])CC43)=N2)C=C1	REAL300005135034	0	46	-2.0	-126.44	367.14	6.81	-119.63
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC3CC(C(=O)[O-])CC32)=CO1	REAL300005135057	1	39	-2.0	-95.27	341.57	1.05	-94.22
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300005135214	0	38	-2.0	-92.59	327.17	3.95	-88.64
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300005135214	1	38	-2.0	-92.53	327.24	3.96	-88.57
COCC1=NC=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C(=O)[N-]1	REAL300005135533	1	40	-2.0	-99.85	329.10	2.97	-96.88
O=C([O-])C1CC2CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2C1	REAL300005135577	1	43	-2.0	-92.10	344.66	5.34	-86.76
O=C([O-])C1CC2CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2C1	REAL300005135875	0	35	-2.0	-95.64	320.20	7.87	-87.77
CC1=C(C(=O)NC2CC3CC(C(=O)[O-])CC32)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005136175	0	43	-2.0	-104.79	352.74	5.45	-99.34
O=C([O-])C1=CC=C(CCC(=O)NC2=NC(CC3CCOC3)=CS2)C=C1	REAL300005136825	0	43	-2.0	-93.69	371.38	7.46	-86.23
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C=C1	REAL300005136825	1	43	-2.0	-93.69	371.38	7.46	-86.23
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=NC(CC2CCOC2)=CS1	REAL300005136832	0	43	-2.0	-116.92	362.78	7.19	-109.73
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300005136832	1	43	-2.0	-116.92	362.78	7.19	-109.73
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O=C([O-])C1=CSC(CC(=O)NC2=NC(CC3CCOC3)=CS2)=C1	REAL300005136943	0	37	-2.0	-101.11	341.53	5.79	-95.32
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC(CC2CCOC2)=CS1	REAL300005136943	1	37	-2.0	-101.11	341.53	5.79	-95.32
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CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=NC(CC2CCOC2)=CS1	REAL300005136945	0	40	-2.0	-121.59	333.70	5.42	-116.17
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300005136945	1	40	-2.0	-121.59	333.70	5.42	-116.17
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COCCC1=CN=C(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005136958	0	41	-2.0	-92.26	387.89	1.58	-90.68
COCCC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005136958	1	41	-2.0	-92.26	387.89	1.58	-90.68
COCCC1=CN=C(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)S1	REAL300005136965	0	36	-2.0	-107.06	333.85	5.85	-101.21
COCCC1=CN=C([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)S1	REAL300005136965	1	36	-2.0	-107.06	333.85	5.85	-101.21
COCCC1=CN=C(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)S1	REAL300005136974	0	36	-2.0	-99.44	333.85	5.86	-93.58
COCCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)S1	REAL300005136974	1	36	-2.0	-99.44	333.85	5.86	-93.58
COCCC1=CN=C(NC(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300005136975	0	32	-2.0	-103.30	311.00	1.85	-101.45
COCCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300005136975	1	32	-2.0	-103.30	311.00	1.85	-101.45
COCCC1=CN=C(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300005136985	0	40	-2.0	-101.43	343.24	5.56	-95.87
COCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300005136985	1	40	-2.0	-101.43	343.24	5.56	-95.87
COCCC1=CN=C(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005136986	0	43	-2.0	-93.95	354.74	6.06	-87.89
COCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005136986	1	43	-2.0	-93.95	354.74	6.06	-87.89
COCCC1=CN=C(NC(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300005136993	0	33	-2.0	-101.84	315.92	3.33	-98.51
COCCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300005136993	1	33	-2.0	-101.84	315.92	3.33	-98.51
COCCC1=CN=C(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300005136995	0	40	-2.0	-117.74	341.00	5.89	-111.85
COCCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300005136995	1	40	-2.0	-117.74	341.00	5.89	-111.85
COCCC1=CN=C(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300005136997	0	42	-2.0	-110.10	377.48	5.77	-104.33
COCCC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300005136997	1	42	-2.0	-110.10	377.48	5.77	-104.33
COCCC1=CN=C([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)S1	REAL300005137001	1	37	-2.0	-108.11	331.55	4.63	-103.48
COCCC1=CN=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S1	REAL300005137002	1	38	-2.0	-105.06	329.14	4.72	-100.34
COCCC1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300005137007	1	36	-2.0	-114.97	341.95	0.87	-114.10
COCCC1=CN=C([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300005137012	1	33	-2.0	-116.54	315.25	3.35	-113.19
COCCC1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300005137014	1	40	-2.0	-105.83	353.01	5.09	-100.74
COCCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300005137020	1	40	-2.0	-115.12	352.59	7.24	-107.88
COCCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300005137022	1	40	-2.0	-110.17	367.19	7.31	-102.86
COCCC1=CN=C([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300005137043	1	35	-2.0	-97.84	319.59	2.71	-95.13
COCCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300005137045	1	40	-2.0	-117.74	341.00	5.89	-111.85
COCCC1=CN=C([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300005137053	1	38	-2.0	-131.51	329.19	3.53	-127.98
COCCC1=CN=C([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])S1	REAL300005137055	1	39	-2.0	-126.48	338.98	5.28	-121.20
COCCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)S1	REAL300005137056	1	39	-2.0	-100.13	350.54	6.32	-93.81
COCCC1=CN=C([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)S1	REAL300005137057	1	33	-2.0	-103.21	325.39	5.00	-98.21
COCCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300005137058	1	36	-2.0	-100.12	338.39	5.88	-94.24
COCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005137060	1	43	-2.0	-93.95	354.74	6.06	-87.89
COCC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005137886	0	48	-2.0	-108.10	385.67	3.95	-104.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005138168	0	48	-2.0	-110.55	388.74	4.17	-106.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(COC)(C(=O)[O-])CC2)O1	REAL300005138600	1	42	-2.0	-94.29	353.93	1.10	-93.19
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005138850	0	45	-2.0	-108.96	367.27	3.27	-105.69
COCC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CC1	REAL300005139184	1	49	-2.0	-105.21	399.28	4.88	-100.33
COCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005139408	0	45	-2.0	-101.10	370.68	3.35	-97.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300005139412	0	51	-2.0	-111.07	410.24	4.94	-106.13
COCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CC1	REAL300005139494	1	51	-2.0	-113.90	396.69	5.36	-108.54
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005140527	1	38	-2.0	-98.55	309.29	4.98	-93.57
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005140539	1	41	-2.0	-109.30	343.36	5.57	-103.73
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300005140652	0	44	-2.0	-98.86	363.55	3.07	-95.79
COCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300005140686	1	43	-2.0	-101.06	349.74	3.79	-97.27
COCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])CC1	REAL300005140839	0	48	-2.0	-113.72	390.75	7.78	-105.94
COCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005140844	0	45	-2.0	-116.15	368.67	6.17	-109.98
COCC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300005140885	1	43	-2.0	-118.35	344.70	6.74	-111.61
COCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])CC1	REAL300005141050	0	48	-2.0	-120.91	387.30	6.79	-114.12
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300005141051	0	51	-2.0	-118.94	402.14	8.44	-110.50
COCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300005141188	0	38	-2.0	-95.30	327.37	4.92	-90.38
COCC1(C(=O)[O-])CCN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)CC1	REAL300005141205	1	41	-2.0	-95.64	338.87	-1.16	-96.80
COCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300005141304	0	41	-2.0	-98.95	328.61	4.30	-94.65
COCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300005141304	1	41	-2.0	-99.01	328.66	4.31	-94.70
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005141342	0	38	-2.0	-95.03	318.64	5.44	-89.59
CCOC1=CC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005141346	1	45	-2.0	-99.12	372.21	5.90	-93.22
COCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])CC1	REAL300005141356	0	49	-2.0	-116.39	391.74	5.41	-110.98
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(COC)(C(=O)[O-])CC2)=CO1	REAL300005141379	1	42	-2.0	-99.37	353.92	0.22	-99.15
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005141542	0	41	-2.0	-89.77	338.01	3.79	-85.98
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005141542	1	41	-2.0	-89.76	338.08	3.78	-85.98
COCC1=NC=C(C(=O)N2CCC(COC)(C(=O)[O-])CC2)C(=O)[N-]1	REAL300005141872	1	43	-2.0	-97.95	343.63	1.90	-96.05
COCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300005141921	1	46	-2.0	-100.78	365.60	4.34	-96.44
COCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005142240	0	38	-2.0	-104.25	333.69	7.19	-97.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300005143866	1	42	-2.0	-123.85	361.96	6.52	-117.33
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005144166	1	42	-2.0	-126.13	362.19	6.74	-119.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300005144211	1	44	-2.0	-136.15	384.98	12.15	-124.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)O1	REAL300005144641	1	45	-2.0	-99.48	385.96	5.43	-94.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)O1	REAL300005144642	1	36	-2.0	-98.72	330.51	3.02	-95.70
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005144911	0	39	-2.0	-124.45	340.72	5.84	-118.61
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300005145260	1	43	-2.0	-130.40	375.33	7.48	-122.92
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005145494	0	39	-2.0	-115.35	346.96	5.92	-109.43
CC1=C(CC(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005145497	1	45	-2.0	-133.81	385.27	7.62	-126.19
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C21	REAL300005145500	1	45	-2.0	-126.70	383.70	7.52	-119.18
CC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005145583	1	45	-2.0	-123.81	371.70	7.50	-116.31
COC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C([O-])=C1	REAL300005146070	1	36	-2.0	-136.96	307.38	7.11	-129.85
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2=C1	REAL300005146618	1	32	-2.0	-106.99	285.06	6.92	-100.07
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2=C1	REAL300005146631	1	35	-2.0	-129.05	316.82	8.57	-120.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300005146737	0	38	-2.0	-109.73	336.08	4.82	-104.91
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2=C1	REAL300005146771	1	37	-2.0	-121.83	325.96	6.38	-115.45
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C43)=N2)=C1	REAL300005146828	0	48	-2.0	-140.14	398.72	10.55	-129.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C43)=N2)C=C1	REAL300005146829	0	48	-2.0	-139.54	398.65	10.56	-128.98
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300005146921	0	42	-2.0	-136.78	365.64	9.63	-127.15
O=C([O-])C1=CC=C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2=C1	REAL300005146926	0	39	-2.0	-138.97	344.87	8.70	-130.27
O=C([O-])C1=CC=C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2=C1	REAL300005146961	0	37	-2.0	-141.15	317.32	9.76	-131.39
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C43)=N2)=C1	REAL300005147123	0	42	-2.0	-145.15	363.16	9.28	-135.87
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300005147124	0	45	-2.0	-142.74	377.36	10.27	-132.47
CC1=C(CC(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005147201	1	45	-2.0	-132.29	385.46	7.62	-124.67
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2=C1	REAL300005147258	0	32	-2.0	-105.44	301.09	7.47	-97.97
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300005147372	0	35	-2.0	-121.50	305.91	6.14	-115.36
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300005147372	1	35	-2.0	-121.54	305.97	6.15	-115.39
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2=C1	REAL300005147409	0	32	-2.0	-104.74	294.86	7.40	-97.34
CCOC1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1[O-]	REAL300005147412	1	39	-2.0	-110.83	345.93	8.46	-102.37
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C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)=CO1	REAL300005147447	1	36	-2.0	-117.28	326.66	2.67	-114.61
O=C([O-])C1=CC=C2CCN(C(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)C2=C1	REAL300005147534	0	40	-2.0	-121.09	342.00	12.08	-109.01
O=C([O-])C1=CC=C2CCN(C(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)C2=C1	REAL300005147534	1	40	-2.0	-121.19	341.99	12.10	-109.09
CC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C2=C([N-]C=NC2=O)O1	REAL300005147548	0	36	-2.0	-121.10	323.30	4.78	-116.32
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300005147605	0	35	-2.0	-97.86	312.77	6.30	-91.56
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300005147605	1	35	-2.0	-97.83	312.83	6.32	-91.51
COCC1=NC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]1	REAL300005147934	1	37	-2.0	-120.50	327.80	4.04	-116.46
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2=C1	REAL300005147979	1	40	-2.0	-122.04	341.71	6.92	-115.12
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2=C1	REAL300005148291	0	32	-2.0	-122.59	310.74	8.83	-113.76
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300005150001	1	44	-2.0	-99.44	370.22	6.44	-93.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=CC=CC(CC(=O)[O-])=C1	REAL300005150299	1	44	-2.0	-100.37	370.28	6.67	-93.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300005150344	1	46	-2.0	-108.20	405.19	12.41	-95.79
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005150774	1	47	-2.0	-90.65	396.02	5.42	-85.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300005150775	1	38	-2.0	-90.24	340.58	3.02	-87.22
CN(C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005151044	0	41	-2.0	-99.03	348.83	5.77	-93.26
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=CS1	REAL300005151394	1	45	-2.0	-111.16	395.19	7.75	-103.41
CN(C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005151630	0	41	-2.0	-94.24	355.69	5.92	-88.32
CC1=C(CC(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005151633	1	47	-2.0	-119.42	406.08	7.94	-111.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=CC=CC(CC(=O)[O-])=C1	REAL300005151636	1	47	-2.0	-100.80	391.78	7.46	-93.34
CC1=C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005151717	1	47	-2.0	-101.99	386.96	7.21	-94.78
COC1=CC=C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C([O-])=C1	REAL300005152223	1	38	-2.0	-107.66	315.67	7.23	-100.43
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005152777	1	34	-2.0	-92.31	294.50	6.86	-85.45
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC(CC(=O)[O-])=C1	REAL300005152788	1	37	-2.0	-100.60	325.40	9.04	-91.56
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005152895	0	40	-2.0	-94.71	349.00	4.81	-89.90
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005152931	1	39	-2.0	-101.31	337.42	6.26	-95.05
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(CC(=O)[O-])=C3)=N2)=C1	REAL300005152989	0	50	-2.0	-111.82	409.39	10.59	-101.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(CC(=O)[O-])=C3)=N2)C=C1	REAL300005152990	0	50	-2.0	-112.58	409.37	10.61	-101.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300005153085	0	44	-2.0	-107.57	373.96	9.62	-97.95
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC(CC(=O)[O-])=C1	REAL300005153090	0	41	-2.0	-108.84	355.54	8.74	-100.10
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153128	0	39	-2.0	-110.77	327.96	9.85	-100.92
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(CC(=O)[O-])=C3)=N2)=C1	REAL300005153294	0	44	-2.0	-114.98	373.89	9.31	-105.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300005153295	0	47	-2.0	-113.15	389.44	10.33	-102.82
CC1=C(CC(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005153372	1	47	-2.0	-118.50	405.29	7.90	-110.60
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153432	0	34	-2.0	-89.34	310.52	7.41	-81.93
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153549	0	37	-2.0	-103.59	325.79	6.42	-97.17
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153549	1	37	-2.0	-103.60	325.86	6.43	-97.17
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153585	0	34	-2.0	-89.34	304.30	7.35	-81.99
CCOC1=CC(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300005153588	1	41	-2.0	-93.50	355.37	8.38	-85.12
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(CC(=O)[O-])=C3)=N2)C=C1	REAL300005153598	0	45	-2.0	-112.49	378.65	7.99	-104.50
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)=CO1	REAL300005153622	1	38	-2.0	-94.41	338.25	2.72	-91.69
CN(C(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153714	0	42	-2.0	-98.99	352.78	12.14	-86.85
CN(C(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153714	1	42	-2.0	-98.97	352.77	12.13	-86.84
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153788	0	37	-2.0	-85.18	323.39	6.44	-78.74
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300005153788	1	37	-2.0	-85.19	323.46	6.45	-78.74
COCC1=NC=C(C(=O)N(C)C2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]1	REAL300005154120	1	39	-2.0	-100.14	339.27	3.92	-96.22
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005154168	1	42	-2.0	-101.34	353.17	6.80	-94.54
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(CC(=O)[O-])=C1	REAL300005154489	0	34	-2.0	-95.74	318.99	8.97	-86.77
CC1=C(CCC(=O)N2CC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005155359	1	45	-2.0	-96.35	370.69	5.81	-90.54
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])C2)=C1	REAL300005155404	1	45	-2.0	-100.91	387.51	6.80	-94.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CC(C(=O)[O-])C3)C=C2)C=C1C	REAL300005155433	1	45	-2.0	-98.00	386.43	6.51	-91.49
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C2)=C1	REAL300005155623	0	35	-2.0	-97.81	310.49	3.16	-94.65
O=C([O-])C1CN(C(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300005155831	1	39	-2.0	-90.48	354.60	5.34	-85.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CC(C(=O)[O-])C3)=C2)C=C1F	REAL300005155857	1	42	-2.0	-93.83	374.91	6.00	-87.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C1	REAL300005155876	0	35	-2.0	-98.50	310.86	3.29	-95.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300005155910	1	37	-2.0	-101.87	335.28	8.75	-93.12
O=C([O-])C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300005155956	1	39	-2.0	-88.52	354.40	5.37	-83.15
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300005155958	1	42	-2.0	-89.34	368.09	6.06	-83.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N3CC(C(=O)[O-])C3)C=C2)=C1C	REAL300005155962	1	45	-2.0	-90.66	385.09	6.59	-84.07
O=C([O-])C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300005156064	1	39	-2.0	-96.74	348.01	5.30	-91.44
O=C([O-])C1CN(C(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300005156065	1	42	-2.0	-95.64	383.37	6.49	-89.15
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300005156066	1	39	-2.0	-96.54	348.17	5.29	-91.25
CC1=CC(C(=O)N2CC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005156080	0	35	-2.0	-79.63	329.42	3.48	-76.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CC(C(=O)[O-])C3)C=C2)C=C1	REAL300005156186	1	42	-2.0	-90.11	369.58	5.97	-84.14
O=C([O-])C1CN(C(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3)=C2)C1	REAL300005156258	1	39	-2.0	-91.77	364.91	5.79	-85.98
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])C2)=C1	REAL300005156259	0	43	-2.0	-100.36	377.42	4.62	-95.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CC(C(=O)[O-])C3)=C2)C=C1	REAL300005156260	1	43	-2.0	-95.12	377.70	4.56	-90.56
O=C([O-])C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300005156265	0	36	-2.0	-93.34	339.93	4.30	-89.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C2)O1	REAL300005156278	1	38	-2.0	-90.92	336.92	1.89	-89.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CC(C(=O)[O-])C3)=C2)C=C1	REAL300005156355	1	42	-2.0	-97.01	369.61	5.96	-91.05
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N3CC(C(=O)[O-])C3)=CC=C2C)C=C1	REAL300005156362	1	45	-2.0	-97.14	385.04	6.72	-90.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N3CC(C(=O)[O-])C3)C=C2)=CC=C1F	REAL300005156367	1	42	-2.0	-90.55	374.73	6.00	-84.55
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300005156368	1	42	-2.0	-88.37	369.89	6.14	-82.23
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])C2)=CC=C1F	REAL300005156371	0	42	-2.0	-98.91	374.36	6.26	-92.65
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300005156397	0	43	-2.0	-93.18	377.42	4.63	-88.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])C1	REAL300005156399	1	42	-2.0	-96.81	374.41	6.18	-90.63
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N3CC(C(=O)[O-])C3)=CC=C2C)=C1	REAL300005156400	1	45	-2.0	-97.80	384.60	6.75	-91.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CC(C(=O)[O-])C3)=C2)=C1	REAL300005156401	1	42	-2.0	-97.47	369.58	5.96	-91.51
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N3CC(C(=O)[O-])C3)=C2)=C1	REAL300005156402	1	45	-2.0	-104.23	389.39	6.79	-97.44
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N3CC(C(=O)[O-])C3)=C2)=C1	REAL300005156407	1	45	-2.0	-97.38	385.07	6.72	-90.66
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C2)=C1	REAL300005156469	0	39	-2.0	-103.05	345.15	1.36	-101.69
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300005156522	0	36	-2.0	-95.71	340.11	4.29	-91.42
O=C([O-])C1CN(C(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300005156523	0	39	-2.0	-101.43	368.77	5.51	-95.92
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C2)=CS1	REAL300005156785	1	36	-2.0	-96.03	325.80	3.97	-92.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CC(C(=O)[O-])C3)C=C2)C=C1	REAL300005156844	1	43	-2.0	-88.39	377.71	4.57	-83.82
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])C1	REAL300005156920	0	32	-2.0	-91.77	295.51	2.56	-89.21
CC1=C(CC(=O)N2CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005156930	1	38	-2.0	-103.52	336.63	4.17	-99.35
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C1	REAL300005156933	0	38	-2.0	-98.93	332.36	4.08	-94.85
O=C([O-])C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300005157065	1	39	-2.0	-89.36	348.20	5.29	-84.07
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])C2)=C1	REAL300005157067	0	45	-2.0	-105.25	384.54	6.99	-98.26
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])C1	REAL300005157367	0	38	-2.0	-101.48	335.00	4.76	-96.72
O=C([O-])C1CN(C(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300005157433	0	25	-2.0	-82.41	266.81	4.60	-77.81
O=C([O-])C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300005157562	1	38	-2.0	-85.68	343.22	3.52	-82.16
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C3)=N2)=C1	REAL300005157575	0	41	-2.0	-112.79	349.62	6.97	-105.82
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C3)=N2)C=C1	REAL300005157576	0	41	-2.0	-110.92	349.57	6.98	-103.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C2)=N1	REAL300005157609	0	35	-2.0	-107.80	317.03	6.17	-101.63
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005157612	0	32	-2.0	-107.88	295.77	5.12	-102.76
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005157632	0	32	-2.0	-80.97	309.71	2.72	-78.25
O=C([O-])C1CN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005157651	0	24	-2.0	-85.45	248.34	2.52	-82.93
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C3)=N2)=C1	REAL300005157683	0	35	-2.0	-114.47	314.66	5.70	-108.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C2)=N1	REAL300005157684	0	38	-2.0	-111.79	316.32	6.54	-105.25
CC1=C(CC(=O)N2CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005157700	1	38	-2.0	-102.70	335.76	4.20	-98.50
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005157757	0	35	-2.0	-117.51	310.29	6.11	-111.40
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C3)=N2)C=C1	REAL300005157765	0	36	-2.0	-110.93	318.86	4.35	-106.58
CC1=C(C(=O)N2CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005158205	0	33	-2.0	-103.84	304.93	2.85	-100.99
CC[C@H](C)[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300005161931	1	53	-2.0	-115.96	414.51	6.35	-109.61
CC[C@H](C)[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300005162460	1	45	-2.0	-129.17	377.44	9.32	-119.85
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005162606	1	47	-2.0	-108.07	395.82	6.41	-101.66
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005162607	1	47	-2.0	-113.62	396.01	6.39	-107.23
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300005162618	0	43	-2.0	-92.64	377.26	4.59	-88.05
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005162801	0	44	-2.0	-106.31	387.75	5.41	-100.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005162819	1	46	-2.0	-98.22	382.47	2.64	-95.58
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300005162820	1	37	-2.0	-96.51	326.08	0.21	-96.30
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005163045	0	44	-2.0	-111.75	387.94	5.41	-106.34
CC[C@H](C)[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300005163297	1	44	-2.0	-112.59	369.45	4.61	-107.98
CC[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300005163473	1	46	-2.0	-116.34	378.66	4.80	-111.54
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005163603	1	47	-2.0	-100.94	395.28	6.44	-94.50
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005164137	1	36	-2.0	-119.48	310.69	7.02	-112.46
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005164205	0	39	-2.0	-104.73	336.30	2.55	-102.18
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005164251	1	46	-2.0	-97.35	391.04	4.63	-92.72
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300005164265	0	49	-2.0	-134.01	395.90	7.58	-126.43
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300005164266	0	49	-2.0	-132.55	395.83	7.58	-124.97
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300005164312	0	43	-2.0	-128.84	363.41	6.69	-122.15
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005164316	0	40	-2.0	-129.93	342.07	5.72	-124.21
CC[C@H](C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005164332	1	38	-2.0	-135.19	315.23	6.59	-128.60
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005164348	0	40	-2.0	-97.59	357.55	3.83	-93.76
CC[C@H](C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005164380	0	32	-2.0	-100.48	296.07	3.59	-96.89
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300005164413	0	43	-2.0	-137.19	360.39	6.31	-130.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300005164414	0	46	-2.0	-135.36	368.29	7.45	-127.91
CC[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300005164442	1	46	-2.0	-115.22	379.59	4.74	-110.48
CC[C@H](C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005164469	0	33	-2.0	-97.65	295.43	5.02	-92.63
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC(Cl)=C1[O-]	REAL300005164529	1	40	-2.0	-102.62	340.29	5.99	-96.63
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005164532	0	43	-2.0	-137.78	363.90	7.09	-130.69
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300005164536	0	44	-2.0	-132.06	363.50	4.96	-127.10
CC[C@H](C)[C@H](NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300005164546	1	37	-2.0	-103.68	326.14	0.22	-103.46
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005164641	0	36	-2.0	-90.93	308.97	3.09	-87.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005164641	1	36	-2.0	-90.90	309.04	3.09	-87.81
CC[C@H](C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005164844	1	41	-2.0	-110.93	328.31	4.49	-106.44
CC[C@H](C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005165007	0	33	-2.0	-115.31	304.78	7.05	-108.26
CC1=C(CCC(=O)N(C)OCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005165714	1	45	-2.0	-106.58	373.91	6.09	-100.49
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N(C)OCC(=O)[O-])=C1	REAL300005165759	1	45	-2.0	-121.80	394.38	7.41	-114.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)C=C1C	REAL300005165793	1	45	-2.0	-117.08	392.97	7.20	-109.88
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)OCC(=O)[O-])=C1	REAL300005165992	0	35	-2.0	-100.44	316.87	3.75	-96.69
CN(OCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005166212	1	39	-2.0	-88.63	359.62	5.88	-82.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)OCC(=O)[O-])=C2)C=C1F	REAL300005166239	1	42	-2.0	-111.88	379.92	6.54	-105.34
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)OCC(=O)[O-]	REAL300005166258	0	35	-2.0	-100.69	316.94	3.99	-96.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)OCC(=O)[O-])C=C1	REAL300005166294	1	37	-2.0	-104.71	338.12	9.01	-95.70
CN(OCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005166341	1	39	-2.0	-107.38	360.95	6.07	-101.31
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)OCC(=O)[O-])C=C1	REAL300005166343	1	42	-2.0	-100.90	373.07	6.60	-94.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)=C1C	REAL300005166347	1	45	-2.0	-102.38	390.09	7.14	-95.24
CN(OCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005166453	1	39	-2.0	-115.54	354.54	6.00	-109.54
CN(OCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005166454	1	42	-2.0	-94.00	386.45	6.85	-87.15
CN(OCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005166455	1	39	-2.0	-116.01	353.19	5.83	-110.18
CC1=CC(C(=O)N(C)OCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005166469	0	35	-2.0	-95.88	335.96	4.17	-91.71
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)C=C1	REAL300005166580	1	42	-2.0	-101.79	374.58	6.51	-95.28
CN(OCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300005166656	1	39	-2.0	-90.38	369.91	6.34	-84.04
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)OCC(=O)[O-])=C1	REAL300005166657	0	43	-2.0	-99.16	382.42	5.16	-94.00
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)OCC(=O)[O-])=C2)C=C1	REAL300005166658	1	43	-2.0	-93.61	382.70	5.11	-88.50
CN(OCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005166663	0	36	-2.0	-101.90	346.47	5.00	-96.90
CN(OCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005166677	1	38	-2.0	-116.18	338.99	3.09	-113.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)OCC(=O)[O-])=C2)C=C1	REAL300005166761	1	42	-2.0	-95.53	374.58	6.49	-89.04
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)OCC(=O)[O-])=CC=C2C)C=C1	REAL300005166768	1	45	-2.0	-95.52	390.03	7.27	-88.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)=CC=C1F	REAL300005166774	1	42	-2.0	-108.00	381.27	6.70	-101.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)OCC(=O)[O-])C=C1	REAL300005166775	1	42	-2.0	-96.22	376.42	6.84	-89.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OCC(=O)[O-])=CC=C1F	REAL300005166778	0	42	-2.0	-100.24	380.44	6.95	-93.29
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)OCC(=O)[O-])C=C1	REAL300005166804	0	43	-2.0	-105.49	382.40	5.17	-100.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)OCC(=O)[O-]	REAL300005166806	1	42	-2.0	-112.79	380.97	6.71	-106.08
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)OCC(=O)[O-])=CC=C2C)=C1	REAL300005166807	1	45	-2.0	-96.00	390.04	7.28	-88.72
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)OCC(=O)[O-])=C2)=C1	REAL300005166808	1	42	-2.0	-96.08	374.59	6.50	-89.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)OCC(=O)[O-])=C2)=C1	REAL300005166809	1	45	-2.0	-125.24	394.74	7.26	-117.98
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)OCC(=O)[O-])=C2)=C1	REAL300005166814	1	45	-2.0	-104.29	390.09	7.27	-97.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)OCC(=O)[O-])=C1	REAL300005166879	0	39	-2.0	-105.93	351.60	1.99	-103.94
CN(OCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005166922	0	32	-2.0	-99.46	295.48	3.09	-96.37
CN(OCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005166932	0	36	-2.0	-114.01	345.12	4.84	-109.17
CN(OCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005166933	0	39	-2.0	-99.28	371.98	5.79	-93.49
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)OCC(=O)[O-])=CS1	REAL300005167209	1	36	-2.0	-93.94	328.87	4.33	-89.61
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)OCC(=O)[O-])C=C2)C=C1	REAL300005167275	1	43	-2.0	-99.62	382.69	5.12	-94.50
CN(OCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005167356	0	32	-2.0	-97.43	301.91	3.16	-94.27
CC1=C(CC(=O)N(C)OCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005167366	1	38	-2.0	-104.99	339.71	4.54	-100.45
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)OCC(=O)[O-]	REAL300005167369	0	38	-2.0	-101.16	338.44	4.77	-96.39
CN(OCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005167508	1	39	-2.0	-100.96	353.16	5.84	-95.12
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)OCC(=O)[O-])=C1	REAL300005167510	0	45	-2.0	-107.01	390.62	7.69	-99.32
CN(OCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005167833	0	38	-2.0	-105.46	342.72	5.31	-100.15
CN(OCC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005167902	0	25	-2.0	-92.44	274.57	5.29	-87.15
CN(OCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005168004	0	31	-2.0	-99.47	295.11	2.13	-97.34
CN(OCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005168047	0	38	-2.0	-96.26	348.20	4.08	-92.18
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N2)=C1	REAL300005168060	0	41	-2.0	-122.16	350.63	7.49	-114.67
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N2)C=C1	REAL300005168061	0	41	-2.0	-117.49	350.07	7.47	-110.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N1	REAL300005168096	0	35	-2.0	-112.57	319.09	6.26	-106.31
CN(OCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005168099	0	32	-2.0	-109.90	296.22	5.62	-104.28
CN(OCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005168120	0	32	-2.0	-98.85	314.73	3.26	-95.59
CN(OCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300005168142	0	24	-2.0	-104.20	253.77	3.03	-101.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N2)=C1	REAL300005168175	0	35	-2.0	-119.86	314.61	6.20	-113.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N1	REAL300005168176	0	38	-2.0	-117.57	336.63	7.30	-110.27
CC1=C(CC(=O)N(C)OCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005168192	1	38	-2.0	-103.41	338.98	4.48	-98.93
CCOC1=CC(C(=O)N(C)OCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005168249	0	32	-2.0	-102.20	300.66	5.56	-96.64
CN(OCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005168253	0	35	-2.0	-126.12	328.67	6.58	-119.54
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)OCC(=O)[O-])=N2)C=C1	REAL300005168261	0	36	-2.0	-117.28	319.39	4.85	-112.43
CC1=C(C(=O)N(C)OCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005168737	0	33	-2.0	-114.66	309.90	3.46	-111.20
COC1=CC=C(C(=O)NC2=CC3=C(OC4=CC=CC=C4O3)C(C(=O)[O-])=C2)C([O-])=C1	REAL300005170733	1	42	-2.0	-119.31	364.29	8.63	-110.68
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC2=C1OC1=CC=CC=C1O2	REAL300005170977	1	38	-2.0	-112.94	343.26	7.87	-105.07
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171034	0	38	-2.0	-112.21	340.70	5.94	-106.27
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171034	1	38	-2.0	-112.21	340.76	5.95	-106.26
O=C([O-])C1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171092	1	37	-2.0	-119.75	332.10	5.99	-113.76
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171348	0	41	-2.0	-125.74	362.18	6.72	-119.02
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171348	1	41	-2.0	-125.76	362.24	6.74	-119.02
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC2=C1OC1=CC=CC=C1O2	REAL300005171364	0	38	-2.0	-110.47	353.06	8.36	-102.11
O=C([O-])C1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC2=C1OC1=CC=CC=C1O2	REAL300005171558	0	36	-2.0	-97.09	324.30	6.42	-90.67
CC[C@@H](C(=O)[O-])N(C)C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300005172123	1	50	-2.0	-107.91	394.09	7.28	-100.63
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005172541	1	44	-2.0	-96.52	378.14	6.80	-89.72
CC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300005172599	1	42	-2.0	-118.26	359.42	10.17	-108.09
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005172644	1	44	-2.0	-94.56	380.12	7.01	-87.55
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300005172646	1	47	-2.0	-93.79	393.83	7.56	-86.23
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005172735	1	44	-2.0	-101.07	373.74	6.94	-94.13
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005172736	1	44	-2.0	-102.99	371.71	6.92	-96.07
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300005172746	0	40	-2.0	-86.71	355.16	5.12	-81.59
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300005172846	1	47	-2.0	-94.84	395.32	7.47	-87.37
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005172913	0	41	-2.0	-99.52	364.36	5.90	-93.62
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005172930	1	43	-2.0	-92.35	360.12	3.77	-88.58
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005172931	1	34	-2.0	-93.01	305.00	1.05	-91.96
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300005173025	1	47	-2.0	-103.44	393.12	7.42	-96.02
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300005173052	1	47	-2.0	-104.17	393.66	7.59	-96.58
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005173140	0	41	-2.0	-100.96	365.86	5.79	-95.17
CC[C@@H](C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005173141	0	44	-2.0	-107.03	392.79	6.88	-100.15
CC[C@@H](C(=O)[O-])N(C)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005173363	1	41	-2.0	-102.95	349.66	5.42	-97.53
CC[C@@H](C(=O)[O-])N(C)C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005173509	1	43	-2.0	-108.29	359.60	5.58	-102.71
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005173638	1	44	-2.0	-93.95	373.88	6.94	-87.01
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005174023	0	30	-2.0	-87.99	293.60	6.10	-81.89
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005174060	1	33	-2.0	-111.63	288.20	7.35	-104.28
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005174116	0	36	-2.0	-99.11	312.54	2.99	-96.12
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005174157	1	43	-2.0	-90.12	368.93	5.16	-84.96
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005174171	0	46	-2.0	-123.67	374.20	8.80	-114.87
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005174172	0	46	-2.0	-122.14	373.13	8.63	-113.51
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005174208	0	40	-2.0	-117.32	329.40	7.41	-109.91
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005174211	0	37	-2.0	-119.31	319.68	6.79	-112.52
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005174232	0	37	-2.0	-86.83	333.25	4.35	-82.48
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300005174258	0	29	-2.0	-94.18	273.54	4.03	-90.15
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005174282	0	40	-2.0	-127.04	339.16	7.50	-119.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)[C@@H](CC)C(=O)[O-])=N1	REAL300005174283	0	43	-2.0	-124.34	339.70	7.89	-116.45
CC[C@@H](C(=O)[O-])N(C)C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005174297	1	43	-2.0	-106.48	359.78	5.57	-100.91
CCOC1=CC(C(=O)N(C)[C@@H](CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005174350	1	37	-2.0	-96.05	319.85	6.51	-89.54
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005174353	0	40	-2.0	-124.73	347.35	7.65	-117.08
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300005174356	0	41	-2.0	-121.95	342.41	6.01	-115.94
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005174365	1	34	-2.0	-95.68	302.36	0.71	-94.97
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005174714	0	30	-2.0	-108.61	286.12	6.68	-101.93
CON(C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(C)CC(=O)[O-]	REAL300005178037	1	51	-2.0	-108.08	405.38	6.72	-101.36
CON(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(C)CC(=O)[O-]	REAL300005178562	1	43	-2.0	-106.55	370.79	10.04	-96.51
CON(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)CC(=O)[O-]	REAL300005178709	1	45	-2.0	-106.97	387.02	6.95	-100.02
CON(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)CC(=O)[O-]	REAL300005178710	1	45	-2.0	-114.82	386.42	6.73	-108.09
CON(C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(C)CC(=O)[O-]	REAL300005178721	0	41	-2.0	-96.66	367.71	4.91	-91.75
CON(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)CC(=O)[O-]	REAL300005178903	0	42	-2.0	-107.69	378.94	5.96	-101.73
CON(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)CC(=O)[O-]	REAL300005178921	1	44	-2.0	-103.23	370.85	3.97	-99.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(OC)C(C)CC(=O)[O-])O1	REAL300005178922	1	35	-2.0	-101.56	318.01	1.81	-99.75
CON(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)CC(=O)[O-]	REAL300005179147	0	42	-2.0	-112.97	378.35	5.74	-107.23
CON(C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(C)CC(=O)[O-]	REAL300005179403	1	42	-2.0	-110.72	361.51	5.36	-105.36
CON(C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(C)CC(=O)[O-]	REAL300005179582	1	44	-2.0	-126.20	372.36	5.56	-120.64
CON(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)CC(=O)[O-]	REAL300005179711	1	45	-2.0	-99.74	387.24	6.92	-92.82
CON(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180257	1	34	-2.0	-114.77	304.31	7.12	-107.65
CON(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)CC(=O)[O-]	REAL300005180326	0	37	-2.0	-104.22	326.43	3.27	-100.95
CON(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)CC(=O)[O-]	REAL300005180372	0	44	-2.0	-95.75	382.29	5.17	-90.58
CON(C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180386	0	47	-2.0	-130.22	386.04	8.64	-121.58
CON(C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180387	0	47	-2.0	-128.39	386.02	8.64	-119.75
CON(C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180433	0	41	-2.0	-125.21	351.37	7.33	-117.88
CON(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180437	0	38	-2.0	-125.65	332.20	6.79	-118.86
CON(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C)CC(=O)[O-]	REAL300005180453	0	36	-2.0	-136.90	304.28	7.66	-129.24
CON(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)CC(=O)[O-]	REAL300005180469	0	38	-2.0	-97.98	347.94	4.14	-93.84
CON(C(=O)C1=CN=C(I)C([O-])=C1)C(C)CC(=O)[O-]	REAL300005180503	0	30	-2.0	-102.09	284.95	3.80	-98.29
CON(C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180538	0	41	-2.0	-133.14	350.56	7.37	-125.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(OC)C(C)CC(=O)[O-])=N1	REAL300005180539	0	44	-2.0	-131.10	367.02	8.45	-122.65
CON(C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(C)CC(=O)[O-]	REAL300005180567	1	44	-2.0	-125.06	371.64	5.51	-119.55
CON(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C)CC(=O)[O-]	REAL300005180594	0	31	-2.0	-101.94	286.53	5.17	-96.77
COC1=C(C(=O)N(OC)C(C)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005180597	1	34	-2.0	-105.49	290.23	0.95	-104.54
CCOC1=CC(C(=O)N(OC)C(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005180657	0	38	-2.0	-103.30	333.38	6.68	-96.62
CON(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)CC(=O)[O-]	REAL300005180660	0	41	-2.0	-132.31	354.74	7.75	-124.56
COC1=CC=C(N2C=C([O-])C(C(=O)N(OC)C(C)CC(=O)[O-])=N2)C=C1	REAL300005180665	0	42	-2.0	-127.94	355.30	6.02	-121.92
C[N-]S(=O)(=O)C1=CC(C(=O)N(OC)C(C)CC(=O)[O-])=CO1	REAL300005180675	1	35	-2.0	-98.98	313.82	0.86	-98.12
CON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)CC(=O)[O-]	REAL300005180769	0	34	-2.0	-95.02	299.38	4.18	-90.84
CON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)CC(=O)[O-]	REAL300005180769	1	34	-2.0	-95.05	299.44	4.18	-90.87
CON(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C)CC(=O)[O-]	REAL300005180981	1	39	-2.0	-108.26	330.26	4.91	-103.35
CON(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)CC(=O)[O-]	REAL300005181148	0	31	-2.0	-112.19	296.66	7.07	-105.12
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300005182772	0	46	-2.0	-109.66	399.82	4.65	-105.01
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005183039	0	46	-2.0	-106.09	389.98	4.88	-101.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300005183453	1	40	-2.0	-104.38	370.88	0.65	-103.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005183689	0	43	-2.0	-104.67	368.51	3.98	-100.69
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=CS1	REAL300005184020	1	47	-2.0	-98.83	402.68	5.18	-93.65
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC1=CC=CN=C1)C(=O)[O-]	REAL300005184237	0	43	-2.0	-99.52	384.95	4.08	-95.44
CC1=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005184326	1	49	-2.0	-113.30	392.60	5.46	-107.84
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1=CC=CN=C1	REAL300005185380	1	36	-2.0	-96.17	322.83	4.86	-91.31
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC1=CC=CN=C1	REAL300005185393	1	39	-2.0	-108.49	354.58	7.45	-101.04
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CN=C1	REAL300005185434	0	36	-2.0	-96.66	321.69	2.97	-93.69
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CN=C1	REAL300005185434	1	36	-2.0	-96.64	321.75	2.98	-93.66
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300005185524	0	42	-2.0	-107.51	379.48	3.00	-104.51
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1=CC=CN=C1	REAL300005185560	1	41	-2.0	-116.03	357.29	4.40	-111.63
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)CC1=CC=CN=C1	REAL300005185604	1	35	-2.0	-94.91	311.67	2.98	-91.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300005185716	0	46	-2.0	-114.46	402.70	7.11	-107.35
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC1=CC=CN=C1	REAL300005185721	0	43	-2.0	-121.36	385.23	6.19	-115.17
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC1=CC=CN=C1	REAL300005185767	1	41	-2.0	-121.70	348.47	7.07	-114.63
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])=N2)=C1	REAL300005185934	0	46	-2.0	-123.42	402.15	6.73	-116.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300005185935	0	49	-2.0	-126.35	413.09	7.92	-118.43
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC1=CC=CN=C1	REAL300005186071	0	36	-2.0	-93.23	330.34	5.46	-87.77
COC1=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005186089	1	39	-2.0	-100.18	346.40	0.54	-99.64
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CN=C1	REAL300005186191	0	39	-2.0	-95.54	343.30	3.79	-91.75
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CN=C1	REAL300005186191	1	39	-2.0	-95.55	343.36	3.80	-91.75
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1=CC=CN=C1	REAL300005186231	0	36	-2.0	-93.15	332.62	5.36	-87.79
CCOC1=CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005186235	1	43	-2.0	-98.66	385.20	6.46	-92.20
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC3=CC=CN=C3)C(=O)[O-])=N2)C=C1	REAL300005186244	0	47	-2.0	-125.09	408.30	5.42	-119.67
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])=CO1	REAL300005186268	1	40	-2.0	-94.02	370.05	0.68	-93.34
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CN=C1	REAL300005186437	0	39	-2.0	-90.33	353.82	3.58	-86.75
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CN=C1	REAL300005186437	1	39	-2.0	-90.38	353.89	3.59	-86.79
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC=CN=C1	REAL300005186735	0	34	-2.0	-103.38	305.30	3.45	-99.93
COCC1=NC=C(C(=O)NCC(CC2=CC=CN=C2)C(=O)[O-])C(=O)[N-]1	REAL300005186771	1	41	-2.0	-114.19	359.14	2.05	-112.14
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC1=CC=CN=C1	REAL300005186821	1	44	-2.0	-111.62	363.13	4.96	-106.66
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=CN=C1	REAL300005187150	0	36	-2.0	-101.83	348.75	7.52	-94.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)O1	REAL300005188860	1	39	-2.0	-83.61	343.64	-1.41	-85.02
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1	REAL300005189050	0	42	-2.0	-94.30	356.48	1.49	-92.81
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005190579	1	35	-2.0	-87.05	298.81	2.58	-84.47
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005190592	1	38	-2.0	-93.81	332.56	3.81	-90.00
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300005190648	0	35	-2.0	-82.16	297.88	1.03	-81.13
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300005190648	1	35	-2.0	-82.16	297.94	1.04	-81.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=N1	REAL300005190728	0	41	-2.0	-87.09	354.32	0.57	-86.52
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300005190798	1	34	-2.0	-87.71	289.57	0.67	-87.04
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005190910	0	42	-2.0	-103.30	358.69	5.30	-98.00
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300005190956	1	40	-2.0	-102.63	332.09	6.41	-96.22
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300005191244	0	35	-2.0	-83.43	316.58	4.11	-79.32
COC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300005191263	1	38	-2.0	-86.24	329.14	-2.03	-88.27
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300005191359	0	38	-2.0	-86.94	319.60	2.75	-84.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300005191359	1	38	-2.0	-86.88	319.65	2.76	-84.12
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005191394	0	35	-2.0	-83.71	308.60	3.05	-80.66
CCOC1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005191398	1	42	-2.0	-87.64	361.42	5.10	-82.54
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=CO1	REAL300005191431	1	39	-2.0	-86.27	343.30	-0.64	-86.91
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005191591	0	38	-2.0	-80.25	327.94	2.87	-77.38
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005191591	1	38	-2.0	-80.21	328.00	2.88	-77.33
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300005191868	0	33	-2.0	-81.98	288.54	1.98	-80.00
COCC1=NC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(=O)[N-]1	REAL300005191901	1	40	-2.0	-86.24	334.44	0.42	-85.82
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005192251	0	35	-2.0	-90.11	326.62	3.89	-86.22
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300005192550	0	43	-2.0	-101.72	369.08	2.00	-99.72
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005192550	1	43	-2.0	-101.72	369.08	2.00	-99.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)O1	REAL300005194683	1	41	-2.0	-97.32	363.73	-0.65	-97.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=C(C(=O)[O-])N=CO2)CC1	REAL300005194870	0	44	-2.0	-102.61	376.33	2.15	-100.46
CC1=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005195397	1	50	-2.0	-104.97	406.38	3.63	-101.34
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)OC=N1	REAL300005196380	1	37	-2.0	-97.51	318.62	3.21	-94.30
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)OC=N1	REAL300005196393	1	40	-2.0	-102.41	352.43	4.47	-97.94
O=C([O-])C1=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC=N1	REAL300005196449	0	37	-2.0	-93.55	317.44	1.69	-91.86
O=C([O-])C1=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC=N1	REAL300005196449	1	37	-2.0	-93.57	317.39	1.67	-91.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C=N1	REAL300005196524	0	43	-2.0	-100.53	375.54	1.38	-99.15
O=C([O-])C1=C(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)OC=N1	REAL300005196555	1	42	-2.0	-103.70	358.92	2.68	-101.02
O=C([O-])C1=C(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)OC=N1	REAL300005196593	1	36	-2.0	-96.26	309.12	1.40	-94.86
O=C([O-])C1=C(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)OC=N1	REAL300005196750	1	42	-2.0	-113.28	354.01	5.54	-107.74
O=C([O-])C1=C(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)OC=N1	REAL300005197037	0	37	-2.0	-94.21	334.64	3.76	-90.45
COC1=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)NC(=O)[N-]C1=O	REAL300005197056	1	40	-2.0	-97.02	348.02	-2.26	-99.28
O=C([O-])C1=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)OC=N1	REAL300005197152	0	40	-2.0	-100.11	338.97	2.47	-97.64
O=C([O-])C1=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)OC=N1	REAL300005197152	1	40	-2.0	-100.16	338.92	2.46	-97.70
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)OC=N1	REAL300005197187	0	37	-2.0	-94.16	328.43	3.70	-90.46
CCOC1=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=CC(Cl)=C1[O-]	REAL300005197190	1	44	-2.0	-98.53	380.74	4.79	-93.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)=CO1	REAL300005197223	1	41	-2.0	-97.51	363.72	-0.91	-98.42
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)OC=N1	REAL300005197382	0	40	-2.0	-91.11	346.67	2.71	-88.40
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)OC=N1	REAL300005197382	1	40	-2.0	-91.14	346.60	2.70	-88.44
O=C([O-])C1=C(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)OC=N1	REAL300005197656	0	35	-2.0	-93.57	307.00	1.71	-91.86
COCC1=NC=C(C(=O)N2CCC(C3=C(C(=O)[O-])N=CO3)CC2)C(=O)[N-]1	REAL300005197689	1	42	-2.0	-102.27	361.02	0.27	-102.00
O=C([O-])C1=C(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)OC=N1	REAL300005197736	1	45	-2.0	-101.67	367.30	3.12	-98.55
O=C([O-])C1=C(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)OC=N1	REAL300005198034	0	37	-2.0	-98.97	346.51	4.51	-94.46
CC1=C(CCC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005199272	1	49	-2.0	-117.30	393.97	2.74	-114.56
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=C1	REAL300005199801	1	41	-2.0	-118.99	358.41	5.71	-113.28
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005199947	1	43	-2.0	-113.09	375.97	3.15	-109.94
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005199948	1	43	-2.0	-116.63	375.70	2.75	-113.88
CC1=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005199959	0	39	-2.0	-93.26	356.58	0.95	-92.31
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005200142	0	40	-2.0	-106.98	367.09	1.78	-105.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)O1	REAL300005200160	1	42	-2.0	-97.16	362.79	-1.01	-98.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)O1	REAL300005200161	1	33	-2.0	-95.76	307.30	-3.41	-99.17
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005200386	0	40	-2.0	-115.10	367.26	1.79	-113.31
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=CS1	REAL300005200638	1	40	-2.0	-125.10	349.41	1.33	-123.77
CC1=C(CC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005200814	1	42	-2.0	-131.23	358.70	1.14	-130.09
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005200944	1	43	-2.0	-102.53	375.60	2.75	-99.78
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005201478	1	32	-2.0	-124.37	290.85	2.89	-121.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C=N1	REAL300005201546	0	35	-2.0	-105.10	315.65	-1.08	-106.18
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005201592	1	42	-2.0	-98.82	370.49	1.01	-97.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=N2)=C1	REAL300005201606	0	45	-2.0	-143.34	376.03	4.36	-138.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=N2)C=C1	REAL300005201607	0	45	-2.0	-136.28	375.33	3.99	-132.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=N1	REAL300005201653	0	39	-2.0	-137.88	337.78	3.44	-134.44
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005201657	0	36	-2.0	-134.46	321.40	2.15	-132.31
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005201673	1	34	-2.0	-144.12	295.40	2.87	-141.25
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005201689	0	36	-2.0	-100.49	337.24	0.19	-100.30
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CN=C(I)C([O-])=C1	REAL300005201721	0	28	-2.0	-107.99	277.06	0.28	-107.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=N2)=C1	REAL300005201754	0	39	-2.0	-147.17	340.22	3.10	-144.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=N1	REAL300005201755	0	42	-2.0	-139.53	356.22	3.81	-135.72
CC1=C(CC(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005201783	1	42	-2.0	-134.88	359.52	1.50	-133.38
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005201810	0	29	-2.0	-99.95	276.70	1.37	-98.58
CCOC1=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=CC(Cl)=C1[O-]	REAL300005201870	1	36	-2.0	-108.77	321.74	2.73	-106.04
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005201873	0	39	-2.0	-147.00	345.38	3.89	-143.11
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C[C@H](O)C3)=N2)C=C1	REAL300005201877	0	40	-2.0	-135.96	344.62	1.37	-134.59
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](O)C2)=CO1	REAL300005201887	1	33	-2.0	-110.48	307.03	-3.02	-113.50
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005201982	0	32	-2.0	-91.52	290.09	-0.55	-92.07
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005201982	1	32	-2.0	-91.47	290.15	-0.54	-92.01
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005202185	1	37	-2.0	-116.04	309.75	1.28	-114.76
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005202348	0	29	-2.0	-119.08	285.09	2.92	-116.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)O1	REAL300005203774	1	44	-2.0	-101.05	376.23	0.49	-100.56
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=CS1	REAL300005204231	1	51	-2.0	-115.11	422.22	4.91	-110.20
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005205304	1	40	-2.0	-105.53	332.54	4.82	-100.71
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005205314	1	43	-2.0	-122.02	360.63	7.20	-114.82
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005205404	0	46	-2.0	-108.13	385.53	2.78	-105.35
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005205427	1	45	-2.0	-117.44	365.60	4.26	-113.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300005205542	0	50	-2.0	-132.07	409.70	6.94	-125.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005205547	0	47	-2.0	-133.89	394.83	6.03	-127.86
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005205576	1	45	-2.0	-139.36	367.99	6.89	-132.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N2)=C1	REAL300005205710	0	50	-2.0	-141.39	413.17	6.61	-134.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300005205711	0	53	-2.0	-139.21	421.43	7.79	-131.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005205824	0	40	-2.0	-101.39	349.30	5.28	-96.11
COC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)NC(=O)[N-]C1=O	REAL300005205835	1	43	-2.0	-102.05	355.93	0.35	-101.70
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005205909	0	43	-2.0	-107.81	348.55	3.56	-104.25
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005205909	1	43	-2.0	-107.80	348.61	3.57	-104.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005205940	0	40	-2.0	-103.06	342.34	5.29	-97.77
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=CC(Cl)=C1[O-]	REAL300005205944	1	47	-2.0	-106.77	394.69	6.27	-100.50
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N2)C=C1	REAL300005205950	0	51	-2.0	-135.95	414.34	5.20	-130.75
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=CO1	REAL300005205966	1	44	-2.0	-106.15	379.09	0.53	-105.62
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005206101	0	43	-2.0	-94.71	359.13	3.35	-91.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005206101	1	43	-2.0	-94.72	359.19	3.35	-91.37
COCC1=NC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C(=O)[N-]1	REAL300005206356	1	45	-2.0	-116.38	367.46	1.92	-114.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005206399	1	48	-2.0	-117.67	381.37	4.82	-112.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005206638	0	40	-2.0	-118.09	354.00	7.29	-110.80
CC1=C(CCC(=O)NC2(C(=O)[O-])CCC(C)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005207391	1	54	-2.0	-112.46	419.36	7.36	-105.10
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1	REAL300005207941	1	46	-2.0	-121.49	383.91	10.35	-111.14
CC1CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)(C(=O)[O-])C1	REAL300005208302	1	47	-2.0	-99.84	385.27	3.78	-96.06
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)O1	REAL300005208303	1	38	-2.0	-98.58	331.66	1.24	-97.34
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCC(C)C2)=CS1	REAL300005208802	1	45	-2.0	-125.32	374.30	5.58	-119.74
CC1=C(CC(=O)NC2(C(=O)[O-])CCC(C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005208994	1	47	-2.0	-136.39	384.25	5.76	-130.63
CC1CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005209768	1	37	-2.0	-128.37	315.21	7.51	-120.86
CC1CCC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])C1	REAL300005209844	0	40	-2.0	-108.11	340.27	3.56	-104.55
CC1CCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005209862	1	39	-2.0	-114.00	317.96	4.87	-109.13
CC(C)C1=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC(C)C3)=N2)=CC=C1	REAL300005209910	0	50	-2.0	-141.88	399.81	8.62	-133.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC(C)C3)=N2)C=C1	REAL300005209911	0	50	-2.0	-140.70	399.80	8.62	-132.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300005209963	0	44	-2.0	-136.43	361.90	7.70	-128.73
CC1CCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005209968	0	41	-2.0	-138.75	346.02	6.77	-131.98
CC1CCC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C1	REAL300005209986	1	39	-2.0	-142.02	320.08	7.14	-134.88
CC1CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300005210004	0	41	-2.0	-103.95	361.49	4.83	-99.12
CC1CCC(NC(=O)C2=CN=C(I)C([O-])=C2)(C(=O)[O-])C1	REAL300005210044	0	33	-2.0	-107.85	300.63	4.56	-103.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC(C)C3)=N2)=C1	REAL300005210092	0	44	-2.0	-145.66	364.35	7.35	-138.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300005210093	0	47	-2.0	-143.50	373.72	8.51	-134.99
CC1=C(CC(=O)NC2(C(=O)[O-])CCC(C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005210135	1	47	-2.0	-134.88	384.42	5.76	-129.12
CC1CCC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300005210170	0	34	-2.0	-102.89	301.95	5.98	-96.91
COC1=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)NC(=O)[N-]C1=O	REAL300005210176	1	37	-2.0	-104.68	306.84	0.61	-104.07
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC(C)C2)=CC(Cl)=C1[O-]	REAL300005210254	1	41	-2.0	-107.43	346.79	6.95	-100.48
CC1CCC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005210257	0	44	-2.0	-145.08	369.50	8.14	-136.94
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC(C)C3)=N2)C=C1	REAL300005210262	0	45	-2.0	-140.22	369.08	6.00	-134.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC(C)C2)=CO1	REAL300005210273	1	38	-2.0	-109.99	330.80	1.22	-108.77
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300005210379	0	37	-2.0	-94.45	314.57	4.11	-90.34
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300005210379	1	37	-2.0	-94.41	314.64	4.11	-90.30
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC(C)C2)C(=O)[N-]1	REAL300005210590	1	39	-2.0	-113.15	319.81	2.52	-110.63
CC1CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005210624	1	42	-2.0	-113.82	333.87	5.45	-108.37
CC1CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C1	REAL300005210819	0	34	-2.0	-123.44	309.28	7.55	-115.89
COC1CC(C(=O)[O-])(N(C)C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C1	REAL300005212295	1	47	-2.0	-135.55	394.70	9.77	-125.78
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300005212652	1	48	-2.0	-101.12	392.79	3.35	-97.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)O1	REAL300005212653	1	39	-2.0	-100.07	339.17	0.81	-99.26
COC1CC(C(=O)[O-])(N(C)C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300005213140	1	46	-2.0	-124.34	385.09	5.07	-119.27
COC1CC(C(=O)[O-])(N(C)C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300005213336	1	48	-2.0	-134.70	395.04	5.25	-129.45
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005214213	1	38	-2.0	-132.34	327.57	6.12	-126.22
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005214299	0	41	-2.0	-115.47	350.15	2.64	-112.83
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005214321	1	40	-2.0	-99.30	321.10	2.93	-96.37
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C1	REAL300005214373	0	51	-2.0	-144.59	407.37	8.40	-136.19
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300005214374	0	51	-2.0	-142.91	409.55	8.42	-134.49
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300005214436	0	45	-2.0	-140.88	373.74	7.48	-133.40
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005214441	0	42	-2.0	-142.01	353.52	6.55	-135.46
COC1CC(C(=O)[O-])(N(C)C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005214466	1	40	-2.0	-145.29	327.36	7.17	-138.12
COC1CC(C(=O)[O-])(N(C)C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300005214596	0	45	-2.0	-148.91	371.84	7.12	-141.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)=N1	REAL300005214597	0	48	-2.0	-146.83	388.31	8.18	-138.65
COC1CC(C(=O)[O-])(N(C)C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300005214647	1	48	-2.0	-122.44	394.99	5.26	-117.18
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005214692	0	35	-2.0	-102.96	311.16	5.08	-97.88
COC1=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)NC(=O)[N-]C1=O	REAL300005214699	1	38	-2.0	-100.24	325.08	-0.89	-101.13
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005214793	0	35	-2.0	-105.17	304.94	5.01	-100.16
CCOC1=CC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)=CC(Cl)=C1[O-]	REAL300005214796	1	42	-2.0	-106.78	356.01	6.05	-100.73
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3(C(=O)[O-])CC(OC)C3)=N2)C=C1	REAL300005214804	0	46	-2.0	-142.52	378.84	5.80	-136.72
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)=CO1	REAL300005214818	1	39	-2.0	-98.63	337.20	0.37	-98.26
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005214945	0	38	-2.0	-93.19	323.08	4.18	-89.01
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005214945	1	38	-2.0	-93.17	323.15	4.19	-88.98
COCC1=NC=C(C(=O)N(C)C2(C(=O)[O-])CC(OC)C2)C(=O)[N-]1	REAL300005215187	1	40	-2.0	-125.90	338.69	1.66	-124.24
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005215224	1	43	-2.0	-118.13	352.03	4.23	-113.90
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005215455	0	35	-2.0	-126.56	321.67	6.14	-120.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300005217364	1	49	-2.0	-122.44	391.83	10.99	-111.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)O1	REAL300005217725	1	50	-2.0	-101.87	395.60	4.49	-97.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)O1	REAL300005217726	1	41	-2.0	-101.09	340.44	1.85	-99.24
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCC2(C)C)=CS1	REAL300005218213	1	48	-2.0	-121.06	382.19	6.23	-114.83
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005218411	1	50	-2.0	-139.11	392.15	6.40	-132.71
CC1(C)CCCC1(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005219291	1	40	-2.0	-131.00	325.68	8.26	-122.74
CC1(C)CCCC1(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005219376	0	43	-2.0	-110.09	349.05	4.20	-105.89
CC1(C)CCCC1(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005219397	1	42	-2.0	-116.86	326.65	5.59	-111.27
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=N2)=C1	REAL300005219449	0	53	-2.0	-145.38	408.65	9.25	-136.13
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=N2)C=C1	REAL300005219450	0	53	-2.0	-144.14	408.58	9.25	-134.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300005219512	0	47	-2.0	-140.49	377.67	8.43	-132.06
CC1(C)CCCC1(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005219517	0	44	-2.0	-141.66	354.80	7.40	-134.26
CC1(C)CCCC1(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005219541	1	42	-2.0	-146.27	329.49	7.89	-138.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=N2)=C1	REAL300005219667	0	47	-2.0	-149.10	374.67	8.06	-141.04
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300005219668	0	50	-2.0	-147.58	391.17	9.14	-138.44
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005219718	1	50	-2.0	-137.73	392.33	6.39	-131.34
CC1(C)CCCC1(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005219762	0	37	-2.0	-104.06	311.42	6.72	-97.34
COC1=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)NC(=O)[N-]C1=O	REAL300005219769	1	40	-2.0	-104.19	317.33	1.36	-102.83
CC1(C)CCCC1(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005219862	0	37	-2.0	-105.14	305.24	6.66	-98.48
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=CC(Cl)=C1[O-]	REAL300005219865	1	44	-2.0	-109.77	356.26	7.70	-102.07
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3(C)C)=N2)C=C1	REAL300005219873	0	48	-2.0	-143.63	377.87	6.63	-137.00
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCC2(C)C)=CO1	REAL300005219887	1	41	-2.0	-111.97	339.49	1.85	-110.12
CC1(C)CCCC1(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005220014	0	40	-2.0	-96.17	324.89	4.80	-91.37
CC1(C)CCCC1(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005220014	1	40	-2.0	-96.14	324.96	4.81	-91.33
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCCC2(C)C)C(=O)[N-]1	REAL300005220260	1	42	-2.0	-115.65	330.33	3.24	-112.41
CC1(C)CCCC1(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005220297	1	45	-2.0	-116.71	344.23	6.14	-110.57
CC1(C)CCCC1(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005220524	0	37	-2.0	-125.96	319.75	8.30	-117.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005221887	0	43	-2.0	-106.60	372.51	3.26	-103.34
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005222169	0	43	-2.0	-95.03	371.06	3.49	-91.54
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005222608	1	46	-2.0	-86.57	394.79	2.27	-84.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005222609	1	37	-2.0	-85.98	340.13	-0.19	-86.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005222862	0	40	-2.0	-93.75	349.59	2.59	-91.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=CS1	REAL300005223199	1	44	-2.0	-106.94	386.04	4.21	-102.73
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005223422	0	40	-2.0	-98.81	357.53	2.65	-96.16
CC1=C(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005223424	1	46	-2.0	-105.93	394.69	4.36	-101.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)C1	REAL300005223427	0	46	-2.0	-95.49	392.55	4.28	-91.21
CC1=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005223505	1	46	-2.0	-101.02	383.27	3.97	-97.05
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300005224527	1	33	-2.0	-88.34	292.96	3.59	-84.75
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)C1	REAL300005224539	1	36	-2.0	-101.23	324.65	5.84	-95.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005224646	0	39	-2.0	-95.25	346.59	1.63	-93.62
O=C([O-])C1=NOC2(CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C1	REAL300005224682	1	38	-2.0	-93.99	336.07	3.20	-90.79
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=N2)C=C1	REAL300005224738	0	49	-2.0	-109.42	409.31	7.30	-102.12
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=N1	REAL300005224831	0	43	-2.0	-113.77	376.46	6.38	-107.39
O=C([O-])C1=NOC2(CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)C1	REAL300005224873	1	38	-2.0	-112.73	327.12	6.67	-106.06
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=N2)=C1	REAL300005225030	0	43	-2.0	-121.23	373.90	6.02	-115.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=N1	REAL300005225031	0	46	-2.0	-118.81	387.97	7.02	-111.79
CC1=C(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005225107	1	46	-2.0	-104.37	394.88	4.35	-100.02
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)C1	REAL300005225166	0	33	-2.0	-87.44	307.40	4.05	-83.39
O=C([O-])C1=NOC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL300005225277	0	36	-2.0	-92.12	315.44	2.89	-89.23
O=C([O-])C1=NOC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL300005225277	1	36	-2.0	-92.13	315.49	2.90	-89.23
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C1	REAL300005225312	0	33	-2.0	-84.52	302.73	4.08	-80.44
CCOC1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=CC(Cl)=C1[O-]	REAL300005225316	1	40	-2.0	-91.75	352.25	5.03	-86.72
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC(C(=O)[O-])=NO4)C3)=N2)C=C1	REAL300005225325	0	44	-2.0	-109.40	378.60	4.68	-104.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)=CO1	REAL300005225349	1	37	-2.0	-87.91	336.86	-0.58	-88.49
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300005225509	0	36	-2.0	-85.04	323.50	3.05	-81.99
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300005225509	1	36	-2.0	-85.02	323.56	3.07	-81.95
COCC1=NC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]1	REAL300005225837	1	38	-2.0	-91.29	335.71	0.73	-90.56
O=C([O-])C1=NOC2(CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)C1	REAL300005225885	1	41	-2.0	-97.33	346.61	3.95	-93.38
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C1	REAL300005226195	0	33	-2.0	-90.87	318.81	5.88	-84.99
COCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300005227722	1	51	-2.0	-104.23	416.69	4.51	-99.72
COCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005228067	0	41	-2.0	-113.75	359.10	2.29	-111.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCOC)C(=O)[O-]	REAL300005228372	0	41	-2.0	-114.76	359.18	2.50	-112.26
COCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300005228419	1	43	-2.0	-125.85	381.16	7.43	-118.42
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005228602	1	45	-2.0	-105.60	398.26	4.51	-101.09
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005228603	1	45	-2.0	-110.37	398.20	4.56	-105.81
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300005228616	0	41	-2.0	-90.26	379.69	2.68	-87.58
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005228846	0	42	-2.0	-106.75	389.35	3.55	-103.20
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005228865	1	44	-2.0	-96.29	384.77	0.75	-95.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCOC)C(=O)[O-])O1	REAL300005228866	1	35	-2.0	-95.18	329.31	-1.65	-96.83
COCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005229101	0	45	-2.0	-118.92	392.96	0.54	-118.38
COCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005229145	0	38	-2.0	-113.12	337.71	1.60	-111.52
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005229153	0	42	-2.0	-108.48	390.37	3.52	-104.96
COCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300005229506	1	42	-2.0	-108.87	371.07	2.75	-106.12
COCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005229725	0	38	-2.0	-105.84	343.29	1.72	-104.12
COCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300005229732	1	44	-2.0	-113.14	381.92	2.94	-110.20
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCOC)C(=O)[O-]	REAL300005229737	0	44	-2.0	-115.51	379.84	3.34	-112.17
COCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300005229800	1	44	-2.0	-109.65	361.63	3.17	-106.48
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005229897	1	45	-2.0	-99.02	397.59	4.53	-94.49
COCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005230454	0	44	-2.0	-117.84	383.59	3.87	-113.97
COCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005230630	1	34	-2.0	-115.35	313.03	5.12	-110.23
COCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005230721	0	37	-2.0	-102.36	338.76	0.63	-101.73
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005230783	1	44	-2.0	-95.19	392.63	2.75	-92.44
COCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300005230798	0	47	-2.0	-129.84	398.11	5.74	-124.10
COCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300005230799	0	47	-2.0	-128.09	398.29	5.67	-122.42
COCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300005230867	0	41	-2.0	-124.73	365.82	4.76	-119.97
COCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005230871	0	38	-2.0	-125.49	344.51	3.81	-121.68
COCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005230893	1	36	-2.0	-130.38	317.42	4.76	-125.62
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005230911	0	38	-2.0	-94.58	359.15	1.96	-92.62
COCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005230953	0	30	-2.0	-97.72	298.39	1.69	-96.03
COCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300005231005	0	41	-2.0	-132.72	362.60	4.47	-128.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300005231006	0	44	-2.0	-131.31	379.36	5.48	-125.83
COCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300005231051	1	44	-2.0	-111.47	382.03	2.84	-108.63
COCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005231086	0	31	-2.0	-95.31	299.52	3.11	-92.20
COCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300005231090	1	34	-2.0	-97.59	305.42	-1.77	-99.36
CCOC1=CC(C(=O)NC(CCOC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005231175	1	38	-2.0	-100.54	344.37	4.09	-96.45
COCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005231179	0	41	-2.0	-133.69	367.99	5.18	-128.51
COCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300005231187	0	42	-2.0	-128.01	366.74	3.10	-124.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCOC)C(=O)[O-])=CO1	REAL300005231205	1	35	-2.0	-101.26	329.29	-1.71	-102.97
COCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005231325	0	34	-2.0	-89.69	313.06	1.17	-88.52
COCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005231325	1	34	-2.0	-89.70	313.13	1.19	-88.51
COCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005231601	1	39	-2.0	-108.71	332.40	2.58	-106.13
COCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005231822	0	31	-2.0	-111.36	307.92	5.10	-106.26
COCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300005232057	0	39	-2.0	-112.58	342.10	2.17	-110.41
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300005233696	1	41	-2.0	-94.96	363.54	4.18	-90.78
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300005234148	1	48	-2.0	-104.35	407.66	8.37	-95.98
CN(C(=O)C1=CC=C([O-])C(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235230	1	37	-2.0	-98.23	316.16	7.89	-90.34
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235241	1	40	-2.0	-116.41	348.63	9.17	-107.24
CN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235275	0	37	-2.0	-91.76	315.27	6.32	-85.44
CN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235275	1	37	-2.0	-91.74	315.33	6.34	-85.40
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235346	0	43	-2.0	-103.68	371.29	6.00	-97.68
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235371	1	42	-2.0	-116.70	357.53	7.23	-109.47
CN(C(=O)C1=CN=CC([O-])=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235408	1	36	-2.0	-94.33	304.49	5.90	-88.43
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300005235489	0	47	-2.0	-121.05	397.84	10.73	-110.32
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235494	0	44	-2.0	-120.32	378.36	9.81	-110.51
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235525	1	42	-2.0	-124.55	351.03	11.06	-113.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300005235663	0	47	-2.0	-128.16	394.28	10.28	-117.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300005235664	0	50	-2.0	-126.38	413.14	11.39	-114.99
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235775	0	37	-2.0	-93.07	329.14	8.32	-84.75
COC1=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005235786	1	40	-2.0	-94.32	345.63	2.31	-92.01
CN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235866	0	40	-2.0	-99.06	336.77	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235866	1	40	-2.0	-99.07	336.82	7.12	-91.95
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005235898	0	37	-2.0	-95.10	325.53	8.27	-86.83
CCOC1=CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005235902	1	44	-2.0	-98.11	374.48	9.38	-88.73
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300005235908	0	48	-2.0	-123.66	399.01	8.94	-114.72
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300005235924	1	41	-2.0	-94.26	359.04	3.58	-90.68
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236064	0	40	-2.0	-88.58	346.29	7.60	-80.98
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236064	1	40	-2.0	-88.57	346.37	7.61	-80.96
CN(C(=O)C1=C[N-]N=CC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236302	0	35	-2.0	-94.08	305.12	6.32	-87.76
COCC1=NC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300005236326	1	42	-2.0	-114.63	359.37	4.88	-109.75
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236369	1	45	-2.0	-117.47	373.80	7.88	-109.59
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005236616	0	37	-2.0	-103.67	339.39	10.35	-93.32
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=C1	REAL300005238734	0	49	-2.0	-109.88	387.75	6.36	-103.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005239043	0	49	-2.0	-111.03	393.28	6.38	-104.65
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C=C1	REAL300005239090	1	51	-2.0	-104.77	410.22	11.39	-93.38
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005239526	1	52	-2.0	-99.15	412.49	4.92	-94.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)O1	REAL300005239527	1	43	-2.0	-89.15	364.08	2.15	-87.00
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005239800	0	46	-2.0	-108.83	371.59	5.48	-103.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])CC(C)(C)C)=CS1	REAL300005240151	1	50	-2.0	-109.31	405.78	6.57	-102.74
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005240389	0	46	-2.0	-102.74	372.77	5.74	-97.00
CC1=C(CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005240392	1	52	-2.0	-108.73	411.62	6.97	-101.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])CC(C)(C)C	REAL300005240395	0	52	-2.0	-111.56	414.77	7.16	-104.40
CC1=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005240476	1	52	-2.0	-113.41	390.10	7.53	-105.88
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005241509	1	42	-2.0	-111.91	347.96	8.92	-102.99
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005241617	0	45	-2.0	-96.59	373.00	4.51	-92.08
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005241651	1	44	-2.0	-97.86	350.34	5.93	-91.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N2)=C1	REAL300005241710	0	55	-2.0	-128.34	426.85	9.61	-118.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N2)C=C1	REAL300005241711	0	55	-2.0	-126.60	426.79	9.61	-116.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N1	REAL300005241802	0	49	-2.0	-119.05	399.28	8.66	-110.39
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005241807	0	46	-2.0	-123.62	373.01	7.76	-115.86
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005241839	1	44	-2.0	-126.30	346.38	8.62	-117.68
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N2)=C1	REAL300005241998	0	49	-2.0	-127.28	396.68	8.27	-119.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N1	REAL300005241999	0	52	-2.0	-130.37	408.60	9.44	-120.93
CC1=C(CC(=O)NC(CC(=O)[O-])CC(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005242070	1	52	-2.0	-106.49	410.90	6.92	-99.57
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005242122	0	39	-2.0	-95.73	328.15	7.20	-88.53
COC1=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)NC(=O)[N-]C1=O	REAL300005242135	1	42	-2.0	-96.25	333.97	1.91	-94.34
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005242264	0	39	-2.0	-94.47	327.16	6.91	-87.56
CCOC1=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=CC(Cl)=C1[O-]	REAL300005242267	1	46	-2.0	-96.40	378.53	7.94	-88.46
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=N2)C=C1	REAL300005242279	0	50	-2.0	-126.11	396.07	6.99	-119.12
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])CC(C)(C)C)=CO1	REAL300005242302	1	43	-2.0	-100.50	363.14	2.14	-98.36
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005242458	0	42	-2.0	-85.84	347.23	5.04	-80.80
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005242458	1	42	-2.0	-85.81	347.30	5.06	-80.75
COCC1=NC=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(=O)[N-]1	REAL300005242775	1	44	-2.0	-98.28	351.96	3.57	-94.71
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005242819	1	47	-2.0	-97.96	366.09	6.49	-91.47
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005243121	0	39	-2.0	-107.77	342.02	9.00	-98.77
CC1=C(C(=O)NC(CC(=O)[O-])CC(C)(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005243420	0	47	-2.0	-116.59	371.01	6.59	-110.00
CC1=C(CCC(=O)N2CCCC[C@H]2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005244135	1	54	-2.0	-117.53	409.88	8.80	-108.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC[C@H]2CC(=O)[O-])C=C1	REAL300005244685	1	46	-2.0	-128.06	372.74	11.74	-116.32
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])O1	REAL300005245046	1	47	-2.0	-104.51	374.15	5.03	-99.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])O1	REAL300005245047	1	38	-2.0	-103.01	320.54	2.48	-100.53
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC[C@H]2CC(=O)[O-])=CS1	REAL300005245546	1	45	-2.0	-133.75	365.20	7.02	-126.73
CC1=C(CC(=O)N2CCCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005245738	1	47	-2.0	-144.01	375.21	7.23	-136.78
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005246512	1	37	-2.0	-129.81	306.10	8.26	-121.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C=N1	REAL300005246588	0	40	-2.0	-113.83	330.81	4.50	-109.33
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005246606	1	39	-2.0	-126.89	310.07	5.96	-120.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005246654	0	50	-2.0	-151.54	388.19	10.28	-141.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005246655	0	50	-2.0	-150.45	388.17	10.29	-140.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@H]2CC(=O)[O-])=N1	REAL300005246707	0	44	-2.0	-147.26	354.66	9.39	-137.87
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005246712	0	41	-2.0	-148.19	334.43	8.38	-139.81
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005246730	1	39	-2.0	-150.61	307.58	8.86	-141.75
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005246748	0	41	-2.0	-107.52	350.86	5.90	-101.62
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005246788	0	33	-2.0	-111.82	290.07	5.54	-106.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005246836	0	44	-2.0	-154.16	352.93	8.97	-145.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@H]2CC(=O)[O-])=N1	REAL300005246837	0	47	-2.0	-153.98	369.52	10.09	-143.89
CC1=C(CC(=O)N2CCCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005246879	1	47	-2.0	-142.63	375.36	7.22	-135.41
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005246914	0	34	-2.0	-107.09	290.42	7.06	-100.03
COC1=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005246920	1	37	-2.0	-107.69	304.22	1.09	-106.60
CCOC1=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005246998	1	41	-2.0	-112.91	335.27	8.04	-104.87
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005247001	0	44	-2.0	-154.04	347.92	9.23	-144.81
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005247006	0	45	-2.0	-149.83	357.46	7.67	-142.16
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC[C@H]2CC(=O)[O-])=CO1	REAL300005247017	1	38	-2.0	-112.10	319.75	2.44	-109.66
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005247123	0	37	-2.0	-98.92	303.07	5.98	-92.94
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005247123	1	37	-2.0	-98.91	303.14	6.00	-92.91
COCC1=NC=C(C(=O)N2CCCC[C@H]2CC(=O)[O-])C(=O)[N-]1	REAL300005247334	1	39	-2.0	-125.07	312.19	3.55	-121.52
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005247368	1	42	-2.0	-126.72	326.09	6.43	-120.29
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005247563	0	34	-2.0	-126.40	299.30	8.32	-118.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)O1	REAL300005248728	1	46	-2.0	-96.96	383.80	3.45	-93.51
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300005249924	1	42	-2.0	-106.64	336.39	7.38	-99.26
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005249937	1	45	-2.0	-132.11	364.78	9.91	-122.20
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300005249981	0	42	-2.0	-107.69	332.09	6.44	-101.25
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300005249981	1	42	-2.0	-107.75	332.15	6.46	-101.29
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005250053	1	47	-2.0	-105.17	371.34	6.73	-98.44
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN=CC([O-])=C1	REAL300005250075	1	41	-2.0	-113.70	327.39	5.41	-108.29
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005250172	1	47	-2.0	-132.25	374.99	9.69	-122.56
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005250397	0	42	-2.0	-108.45	349.45	8.51	-99.94
COC1=C(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)NC(=O)[N-]C1=O	REAL300005250410	1	45	-2.0	-110.06	355.81	3.93	-106.13
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300005250480	0	45	-2.0	-118.80	360.08	6.64	-112.16
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300005250480	1	45	-2.0	-118.81	360.13	6.66	-112.15
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005250508	0	42	-2.0	-104.18	346.19	7.87	-96.31
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)=CO1	REAL300005250528	1	46	-2.0	-114.63	383.34	3.40	-111.23
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005250645	0	45	-2.0	-97.58	362.30	7.36	-90.22
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005250645	1	45	-2.0	-97.60	362.37	7.38	-90.22
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=C[N-]N=CC1=O	REAL300005250830	0	40	-2.0	-99.05	318.10	6.07	-92.98
COCC1=NC=C(C(=O)N2CCCCC2C2=CC=C(C(=O)[O-])N2C)C(=O)[N-]1	REAL300005250852	1	47	-2.0	-104.98	373.20	4.38	-100.60
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005250888	1	50	-2.0	-105.76	382.05	7.71	-98.05
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005251091	0	42	-2.0	-126.14	358.94	9.95	-116.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)O1	REAL300005252289	1	49	-2.0	-102.27	387.62	4.12	-98.15
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C1)CC2	REAL300005253470	1	45	-2.0	-118.19	349.42	8.29	-109.90
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C1)CC2	REAL300005253483	1	48	-2.0	-142.11	379.85	10.52	-131.59
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCC3=N[N-]N=N3)C1)CC2	REAL300005253527	0	45	-2.0	-109.93	348.93	6.74	-103.19
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCC3=NN=N[N-]3)C1)CC2	REAL300005253527	1	45	-2.0	-109.90	348.98	6.76	-103.14
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C1)CC2	REAL300005253597	1	50	-2.0	-131.84	383.10	7.59	-124.25
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CN=CC([O-])=C3)C1)CC2	REAL300005253619	1	44	-2.0	-117.74	331.94	6.14	-111.60
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C1)CC2	REAL300005253715	1	50	-2.0	-151.41	378.16	10.52	-140.89
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C1)CC2	REAL300005253940	0	45	-2.0	-110.65	365.41	8.83	-101.82
COC1=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005253953	1	48	-2.0	-107.75	372.06	2.63	-105.12
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC3=N[N-]N=N3)C1)CC2	REAL300005254022	0	48	-2.0	-108.86	370.30	7.53	-101.33
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC3=NN=N[N-]3)C1)CC2	REAL300005254022	1	48	-2.0	-108.82	370.36	7.55	-101.27
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C1)CC2	REAL300005254050	0	45	-2.0	-114.50	359.21	8.77	-105.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)=CO1	REAL300005254070	1	49	-2.0	-105.15	387.72	3.96	-101.19
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C1)CC2	REAL300005254182	0	48	-2.0	-99.58	370.88	7.58	-92.00
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C1)CC2	REAL300005254182	1	48	-2.0	-99.55	370.95	7.58	-91.97
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=C[N-]N=CC3=O)C1)CC2	REAL300005254366	0	43	-2.0	-118.45	331.29	6.61	-111.84
COCC1=NC=C(C(=O)N2CCCC(C34CC(CC3)C4C(=O)[O-])C2)C(=O)[N-]1	REAL300005254387	1	50	-2.0	-119.02	377.78	5.07	-113.95
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C1)CC2	REAL300005254423	1	53	-2.0	-119.80	391.54	8.03	-111.77
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C1)CC2	REAL300005254623	0	45	-2.0	-130.69	370.61	9.47	-121.22
CC1=C(CCC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005255305	1	54	-2.0	-113.58	420.83	7.93	-105.65
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300005255855	1	46	-2.0	-137.57	385.08	10.91	-126.66
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)O1	REAL300005256216	1	47	-2.0	-100.29	388.81	4.25	-96.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)O1	REAL300005256217	1	38	-2.0	-98.79	334.04	1.81	-96.98
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CS1	REAL300005256716	1	45	-2.0	-126.70	375.80	6.16	-120.54
CC1=C(CC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005256908	1	47	-2.0	-136.95	385.75	6.34	-130.61
CC1(C)CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005257682	1	37	-2.0	-130.28	317.74	8.10	-122.18
CC1(C)CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])C1	REAL300005257758	0	40	-2.0	-108.63	342.64	4.12	-104.51
CC1(C)CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005257776	1	39	-2.0	-113.60	320.79	5.47	-108.13
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=N2)=C1	REAL300005257824	0	50	-2.0	-143.23	402.25	9.19	-134.04
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=N2)C=C1	REAL300005257825	0	50	-2.0	-142.14	402.14	9.20	-132.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300005257877	0	44	-2.0	-138.41	369.70	8.31	-130.10
CC1(C)CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005257882	0	41	-2.0	-139.89	348.39	7.34	-132.55
CC1(C)CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C1	REAL300005257900	1	39	-2.0	-144.42	321.54	7.72	-136.70
CC1(C)CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300005257918	0	41	-2.0	-105.45	363.86	5.41	-100.04
CC1(C)CC(NC(=O)C2=CN=C(I)C([O-])=C2)(C(=O)[O-])C1	REAL300005257958	0	33	-2.0	-108.46	303.10	5.14	-103.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=N2)=C1	REAL300005258006	0	44	-2.0	-147.18	366.74	7.92	-139.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300005258007	0	47	-2.0	-145.78	383.27	8.99	-136.79
CC1=C(CC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005258049	1	47	-2.0	-124.06	385.71	6.31	-117.75
CC1(C)CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300005258084	0	34	-2.0	-104.20	303.44	6.59	-97.61
COC1=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)NC(=O)[N-]C1=O	REAL300005258090	1	37	-2.0	-104.80	309.56	1.20	-103.60
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC(Cl)=C1[O-]	REAL300005258168	1	41	-2.0	-108.56	348.28	7.56	-101.00
CC1(C)CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005258171	0	44	-2.0	-146.15	371.88	8.71	-137.44
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=N2)C=C1	REAL300005258176	0	45	-2.0	-141.73	371.43	6.57	-135.16
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CO1	REAL300005258187	1	38	-2.0	-111.48	333.17	1.80	-109.68
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300005258293	0	37	-2.0	-95.07	316.94	4.67	-90.40
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300005258293	1	37	-2.0	-95.07	317.01	4.68	-90.39
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(=O)[N-]1	REAL300005258504	1	39	-2.0	-112.89	322.63	3.13	-109.76
CC1(C)CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005258538	1	42	-2.0	-113.72	336.55	6.03	-107.69
CC1(C)CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C1	REAL300005258733	0	34	-2.0	-125.13	311.80	8.15	-116.98
CC1CCC(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)(C(=O)[O-])C2=CC=CC=C21	REAL300005259398	0	45	-2.0	-135.85	365.17	9.48	-126.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)O1	REAL300005259921	1	45	-2.0	-107.93	381.42	3.90	-104.03
CC1CCC(NC(=O)C2=CC=C([O-])C(F)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261160	1	41	-2.0	-112.71	334.69	8.11	-104.60
CC1CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C2=CC=CC=C21	REAL300005261172	1	44	-2.0	-134.64	365.24	10.24	-124.40
CC1CCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261216	0	41	-2.0	-108.62	332.12	6.17	-102.45
CC1CCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261216	1	41	-2.0	-108.65	332.17	6.18	-102.47
CC1CCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C2=CC=CC=C21	REAL300005261288	1	46	-2.0	-125.56	367.85	7.72	-117.84
CC1CCC(NC(=O)C2=CN=CC([O-])=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261311	1	40	-2.0	-117.48	323.76	6.23	-111.25
CC1CCC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261413	1	46	-2.0	-151.79	369.03	9.86	-141.93
CC1CCC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261640	0	41	-2.0	-109.77	351.07	8.70	-101.07
COC1=C(C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)NC(=O)[N-]C1=O	REAL300005261653	1	44	-2.0	-110.56	356.73	3.35	-107.21
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261723	0	44	-2.0	-117.12	353.63	6.94	-110.18
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261723	1	44	-2.0	-117.16	353.69	6.95	-110.21
CC1CCC(NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261751	0	41	-2.0	-110.83	344.49	8.60	-102.23
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=CO1	REAL300005261771	1	45	-2.0	-114.12	380.70	3.89	-110.23
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261890	0	44	-2.0	-101.20	364.43	6.77	-94.43
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300005261890	1	44	-2.0	-101.23	364.50	6.77	-94.46
CC1CCC(NC(=O)C2=C[N-]N=CC2=O)(C(=O)[O-])C2=CC=CC=C21	REAL300005262084	0	39	-2.0	-115.05	315.98	6.67	-108.38
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C(=O)[N-]1	REAL300005262107	1	46	-2.0	-124.21	369.94	5.31	-118.90
CC1CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C2=CC=CC=C21	REAL300005262143	1	49	-2.0	-123.38	377.76	8.08	-115.30
CC1CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C2=CC=CC=C21	REAL300005262348	0	41	-2.0	-131.02	359.09	10.25	-120.77
CC1=C(CCC(=O)NC(C(=O)[O-])C2(C)CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005263009	1	51	-2.0	-108.61	406.85	6.75	-101.86
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300005263538	1	43	-2.0	-116.33	371.48	9.72	-106.61
CC1(C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C(=O)[O-])CC1	REAL300005263685	1	45	-2.0	-109.04	386.03	6.78	-102.26
CC1(C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300005263686	1	45	-2.0	-114.88	388.37	6.80	-108.08
CC1=CC(C(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005263697	0	41	-2.0	-93.08	374.74	4.75	-88.33
CC1(C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C(=O)[O-])CC1	REAL300005263881	0	42	-2.0	-107.73	380.12	5.80	-101.93
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300005263898	1	44	-2.0	-99.19	380.73	2.74	-96.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300005263899	1	35	-2.0	-97.69	325.20	0.37	-97.32
CC1(C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C(=O)[O-])CC1	REAL300005264127	0	42	-2.0	-112.94	378.16	5.77	-107.17
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2(C)CC2)=CS1	REAL300005264381	1	42	-2.0	-119.50	361.84	5.00	-114.50
CC1=C(CC(=O)NC(C(=O)[O-])C2(C)CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005264553	1	44	-2.0	-130.60	372.68	5.19	-125.41
CC1(C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C(=O)[O-])CC1	REAL300005264682	1	45	-2.0	-102.08	386.22	6.77	-95.31
CC1(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])CC1	REAL300005265214	1	34	-2.0	-120.29	308.89	7.14	-113.15
CC1(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])CC1	REAL300005265280	0	37	-2.0	-106.10	328.69	2.94	-103.16
CC1(C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C(=O)[O-])CC1	REAL300005265325	1	44	-2.0	-97.86	381.25	4.99	-92.87
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(C)CC3)=N2)=C1	REAL300005265339	0	47	-2.0	-135.30	393.41	7.76	-127.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(C)CC3)=N2)C=C1	REAL300005265340	0	47	-2.0	-133.71	393.40	7.70	-126.01
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300005265387	0	41	-2.0	-129.38	355.24	6.85	-122.53
CC1(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])CC1	REAL300005265391	0	38	-2.0	-131.05	339.56	5.91	-125.14
CC1(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])CC1	REAL300005265406	1	36	-2.0	-136.44	312.80	6.71	-129.73
CC1(C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300005265422	0	38	-2.0	-98.57	347.77	4.21	-94.36
CC1(C(NC(=O)C2=CN=C(I)C([O-])=C2)C(=O)[O-])CC1	REAL300005265452	0	30	-2.0	-102.13	289.15	3.94	-98.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(C)CC3)=N2)=C1	REAL300005265484	0	41	-2.0	-138.37	357.95	6.42	-131.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300005265485	0	44	-2.0	-136.85	367.48	7.61	-129.24
CC1=C(CC(=O)NC(C(=O)[O-])C2(C)CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005265510	1	44	-2.0	-129.00	369.80	5.12	-123.88
CC1(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])CC1	REAL300005265535	0	31	-2.0	-98.65	287.31	5.37	-93.28
CCOC1=CC(C(=O)NC(C(=O)[O-])C2(C)CC2)=CC(Cl)=C1[O-]	REAL300005265593	1	38	-2.0	-104.09	332.15	6.35	-97.74
CC1(C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C(=O)[O-])CC1	REAL300005265596	0	41	-2.0	-139.32	363.13	7.21	-132.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(C)CC3)=N2)C=C1	REAL300005265600	0	42	-2.0	-133.36	362.68	5.07	-128.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2(C)CC2)=CO1	REAL300005265610	1	35	-2.0	-104.29	324.34	0.36	-103.93
CC1(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])CC1	REAL300005265704	0	34	-2.0	-92.05	308.11	3.25	-88.80
CC1(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])CC1	REAL300005265704	1	34	-2.0	-92.03	308.18	3.25	-88.78
CC1(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])CC1	REAL300005265903	1	39	-2.0	-113.37	327.30	4.63	-108.74
CC1(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])CC1	REAL300005266056	0	31	-2.0	-116.15	302.97	7.18	-108.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)O1	REAL300005267637	1	44	-2.0	-101.03	380.37	0.52	-100.51
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=CS1	REAL300005268094	1	51	-2.0	-120.25	422.27	4.86	-115.39
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005269167	1	40	-2.0	-104.26	334.18	4.70	-99.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005269177	1	43	-2.0	-122.26	364.21	7.22	-115.04
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005269267	0	46	-2.0	-108.46	388.88	2.85	-105.61
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005269290	1	45	-2.0	-117.02	366.91	4.20	-112.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300005269405	0	50	-2.0	-132.08	410.71	7.00	-125.08
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005269410	0	47	-2.0	-133.79	394.72	6.03	-127.76
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005269439	1	45	-2.0	-139.25	368.02	6.83	-132.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N2)=C1	REAL300005269573	0	50	-2.0	-141.29	413.05	6.61	-134.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300005269574	0	53	-2.0	-139.23	422.08	7.78	-131.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005269687	0	40	-2.0	-100.81	349.64	5.30	-95.51
COC1=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)NC(=O)[N-]C1=O	REAL300005269698	1	43	-2.0	-102.00	355.53	0.37	-101.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005269772	0	43	-2.0	-108.11	352.69	3.59	-104.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005269772	1	43	-2.0	-108.08	352.74	3.60	-104.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005269803	0	40	-2.0	-102.21	343.98	5.19	-97.02
CCOC1=CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=CC(Cl)=C1[O-]	REAL300005269807	1	47	-2.0	-106.62	394.73	6.22	-100.40
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N2)C=C1	REAL300005269813	0	51	-2.0	-136.35	418.24	5.21	-131.14
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=CO1	REAL300005269829	1	44	-2.0	-105.35	379.50	0.48	-104.87
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005269964	0	43	-2.0	-95.37	363.43	3.32	-92.05
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005269964	1	43	-2.0	-95.33	363.49	3.32	-92.01
COCC1=NC=C(C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C(=O)[N-]1	REAL300005270219	1	45	-2.0	-116.67	368.92	1.85	-114.82
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005270262	1	48	-2.0	-117.17	382.38	4.81	-112.36
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005270501	0	40	-2.0	-118.62	358.60	7.25	-111.37
CS(=O)(=O)CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272142	0	39	-2.0	-142.44	342.63	5.93	-136.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CC=N2)C=C1	REAL300005272143	0	37	-2.0	-126.90	310.24	8.89	-118.01
CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272144	0	37	-2.0	-125.47	308.32	7.92	-117.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300005272145	0	36	-2.0	-125.51	321.44	9.79	-115.72
CC1=CC(Cl)=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272146	0	37	-2.0	-122.33	328.14	9.56	-112.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300005272147	0	33	-2.0	-115.35	319.76	10.16	-105.19
CC(OC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272148	0	37	-2.0	-128.08	304.08	8.65	-119.43
COC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272149	0	37	-2.0	-131.28	311.89	8.08	-123.20
COC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272150	0	38	-2.0	-124.95	320.79	7.62	-117.33
CC1=CC=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272151	0	37	-2.0	-128.70	312.72	9.02	-119.68
COC1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272152	0	38	-2.0	-133.17	320.55	8.09	-125.08
N#CC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272153	0	35	-2.0	-120.28	312.11	8.74	-111.54
CCOC1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272154	0	41	-2.0	-134.02	342.40	9.01	-125.01
CC1=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300005272155	0	37	-2.0	-123.40	326.76	9.45	-113.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=CC=C1	REAL300005272156	0	40	-2.0	-123.23	333.75	9.18	-114.05
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)F	REAL300005272157	0	42	-2.0	-128.84	361.51	8.81	-120.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2O1	REAL300005272158	0	33	-2.0	-124.53	286.56	9.05	-115.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Br)S1	REAL300005272159	0	27	-2.0	-111.92	266.68	7.51	-104.41
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)F	REAL300005272160	0	38	-2.0	-128.08	320.45	7.15	-120.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300005272161	0	44	-2.0	-127.11	368.23	10.97	-116.14
CCOC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272162	0	40	-2.0	-126.08	333.75	9.04	-117.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC(=O)C1=CC=CC=C1	REAL300005272163	0	38	-2.0	-126.62	324.01	9.40	-117.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1Cl	REAL300005272164	0	33	-2.0	-123.98	296.61	9.21	-114.77
CC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272165	0	37	-2.0	-126.99	312.71	9.01	-117.98
COC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272166	0	37	-2.0	-130.29	311.22	8.19	-122.10
COC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272167	0	44	-2.0	-123.60	362.52	8.79	-114.81
COC1=CC=CC=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272168	0	40	-2.0	-130.37	332.09	8.95	-121.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC2=CC3=C(C=C12)CCC3	REAL300005272169	0	43	-2.0	-127.23	355.82	11.05	-116.18
CCOC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272170	0	41	-2.0	-121.29	352.54	8.47	-112.82
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1OC	REAL300005272171	0	38	-2.0	-120.81	330.68	7.51	-113.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(F)C=C1	REAL300005272172	0	34	-2.0	-122.15	297.72	8.40	-113.75
CC(C)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272173	0	42	-2.0	-127.42	338.16	10.36	-117.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC=C1F	REAL300005272174	0	36	-2.0	-124.38	309.34	9.61	-114.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2S1	REAL300005272175	0	33	-2.0	-123.31	290.35	9.25	-114.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2)=CS1	REAL300005272176	0	37	-2.0	-120.51	321.03	10.25	-110.26
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC(Br)=C1	REAL300005272195	0	34	-2.0	-124.49	312.61	8.96	-115.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(Cl)C=C1	REAL300005272196	0	34	-2.0	-122.71	308.04	8.86	-113.85
COC1=CC=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272197	0	38	-2.0	-134.05	321.50	8.68	-125.37
CC1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272198	0	37	-2.0	-127.91	311.37	9.05	-118.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1Cl	REAL300005272199	0	34	-2.0	-127.03	307.32	8.87	-118.16
CC1=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300005272200	0	40	-2.0	-128.41	334.11	9.66	-118.75
CC1=CC=C(Cl)C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272201	0	37	-2.0	-127.66	328.74	9.54	-118.12
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CCCOC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272203	0	44	-2.0	-125.72	364.16	9.35	-116.37
CCOC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272204	0	41	-2.0	-126.08	342.67	8.55	-117.53
CC1=CC=C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272205	0	40	-2.0	-128.26	324.96	9.30	-118.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(F)C=C1Br	REAL300005272206	0	34	-2.0	-119.78	318.12	9.04	-110.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC=C1Cl	REAL300005272207	0	36	-2.0	-123.59	316.40	9.95	-113.64
CC(OC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272208	0	37	-2.0	-119.40	309.78	8.59	-110.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(F)C(Cl)=C1	REAL300005272209	0	34	-2.0	-123.33	315.71	9.88	-113.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(F)C=C1	REAL300005272210	0	36	-2.0	-120.66	310.19	9.68	-110.98
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272211	0	47	-2.0	-129.39	369.54	10.99	-118.40
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CC1=CC=C(C2=NC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)O1	REAL300005272225	0	39	-2.0	-144.23	350.48	8.59	-135.64
CN1C=C(C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=N1	REAL300005272226	0	36	-2.0	-130.35	323.54	7.43	-122.92
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C(C)C)=N1	REAL300005272228	0	38	-2.0	-115.42	319.87	7.60	-107.82
CCCC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272229	0	38	-2.0	-114.85	320.11	7.77	-107.08
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NC=CC=N2)=N1	REAL300005272231	0	37	-2.0	-124.99	328.97	6.61	-118.38
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(C)=C1C(C)=O	REAL300005272232	0	42	-2.0	-116.33	346.30	8.85	-107.48
CC(C)OC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005272233	0	39	-2.0	-118.54	342.04	6.80	-111.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC(=O)N1CCC2=C(C=CS2)C1	REAL300005272234	0	44	-2.0	-124.78	370.34	9.43	-115.35
CCC1=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005272235	0	35	-2.0	-133.53	309.34	7.39	-126.14
CC(C)(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272236	0	38	-2.0	-119.96	320.59	7.44	-112.52
CCOC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005272237	0	36	-2.0	-119.93	318.90	6.99	-112.94
COCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005272238	0	33	-2.0	-125.93	297.87	5.69	-120.24
CCN(CC)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005272239	0	43	-2.0	-131.93	344.22	9.30	-122.63
CC1=NN(C(F)F)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272240	0	39	-2.0	-123.36	336.48	7.70	-115.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCCCCC2)N=C1	REAL300005272241	0	47	-2.0	-129.48	353.90	8.66	-120.82
CC1=NN(C)C(C)=C1C(=O)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272242	0	38	-2.0	-132.32	326.56	7.52	-124.80
CSCC1=NC2=CC=CC=C2N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272243	0	43	-2.0	-128.76	375.07	10.67	-118.09
CC1=NC(COC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=CS1	REAL300005272244	0	43	-2.0	-133.27	373.92	8.81	-124.46
CC1=CC=CC2=C1N=CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C2=O	REAL300005272245	0	41	-2.0	-124.17	348.19	10.11	-114.06
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272246	0	38	-2.0	-114.80	323.98	8.80	-106.00
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005272247	0	41	-2.0	-110.75	341.91	6.74	-104.01
CC1=NN(C)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272248	0	39	-2.0	-128.95	324.31	7.57	-121.38
CC1OC2=CC=CC=C2N(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300005272249	0	42	-2.0	-142.01	348.94	8.31	-133.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(N2CCCC2=O)C=C1	REAL300005272250	0	45	-2.0	-139.37	369.70	10.41	-128.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=NC=N2)C=C1	REAL300005272251	0	39	-2.0	-131.41	330.51	10.78	-120.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300005272252	0	36	-2.0	-119.44	320.64	5.69	-113.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC2=CC=CN=C12	REAL300005272253	0	39	-2.0	-140.21	333.96	9.85	-130.36
CC1=NN(C)C2=NC(C)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005272254	0	41	-2.0	-117.54	339.08	7.93	-109.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C(=O)COC2=CC=C(Cl)C=C21	REAL300005272255	0	39	-2.0	-137.69	345.61	8.04	-129.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CC=N2)N=C1	REAL300005272256	0	36	-2.0	-126.00	307.71	8.07	-117.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC(N2CCCC2)=NC=C1Cl	REAL300005272257	0	40	-2.0	-120.33	340.17	9.55	-110.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CO2)=N1	REAL300005272258	0	33	-2.0	-129.33	304.83	7.77	-121.56
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272259	0	35	-2.0	-108.41	311.04	7.58	-100.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300005272260	0	41	-2.0	-119.49	339.01	9.12	-110.37
CCC(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005272261	0	43	-2.0	-132.87	339.40	7.85	-125.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(C(=O)C2CC2)C1	REAL300005272262	0	44	-2.0	-126.88	345.60	8.54	-118.34
CCS(=O)(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005272263	0	44	-2.0	-125.52	360.64	5.48	-120.04
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(=O)C1=CC=CS1	REAL300005272264	0	37	-2.0	-125.54	323.37	7.48	-118.06
CC(C)CN1CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1=O	REAL300005272265	0	43	-2.0	-110.49	339.10	7.88	-102.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=CN=C1	REAL300005272266	0	36	-2.0	-126.04	321.66	8.41	-117.63
CCC(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272267	0	40	-2.0	-147.42	327.87	7.38	-140.04
COC1=CC=C(N2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300005272268	0	45	-2.0	-108.58	365.70	8.34	-100.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300005272269	0	41	-2.0	-117.34	350.34	9.41	-107.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300005272270	0	43	-2.0	-109.44	359.66	7.75	-101.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C(C(F)(F)F)C=CC1=O	REAL300005272271	0	36	-2.0	-119.37	325.76	8.38	-110.99
CC1=NC2=CC=CC=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272272	0	38	-2.0	-123.07	317.13	8.72	-114.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300005272273	0	44	-2.0	-117.73	368.60	9.79	-107.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=NC2=CC=CC=C2C1=O	REAL300005272274	0	38	-2.0	-141.23	328.03	9.26	-131.97
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CC(=O)NCCNC(=O)CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272474	0	43	-2.0	-129.09	364.26	3.33	-125.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2=CC=CC=C21	REAL300005272475	0	40	-2.0	-117.47	319.56	10.44	-107.03
CC1=CC=C(Br)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272476	0	33	-2.0	-115.30	296.52	9.02	-106.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCC2)NC1=O	REAL300005272477	0	40	-2.0	-130.76	314.47	8.14	-122.62
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272478	0	37	-2.0	-117.64	326.27	9.15	-108.49
CC1(C)CCC(C)(C)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005272479	0	52	-2.0	-134.87	386.68	11.85	-123.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC(=O)C(Br)=C1	REAL300005272480	0	30	-2.0	-115.90	277.04	5.23	-110.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(NC(=O)C2CC2)C=C1	REAL300005272481	0	44	-2.0	-138.25	369.56	9.26	-128.99
CC(C)C1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272482	0	39	-2.0	-114.44	314.35	7.29	-107.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2CCCCC2)N=C1	REAL300005272483	0	43	-2.0	-127.91	338.18	8.61	-119.30
CC1=CC=CC=C1N1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005272484	0	40	-2.0	-130.80	333.45	9.74	-121.06
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005272485	0	39	-2.0	-136.39	330.37	10.23	-126.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL300005272486	0	41	-2.0	-121.75	359.82	10.73	-111.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL300005272487	0	41	-2.0	-122.94	359.36	10.80	-112.14
COCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272488	0	41	-2.0	-128.77	341.95	7.19	-121.58
CC(CSC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272489	0	40	-2.0	-125.06	339.52	10.40	-114.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(F)=CC=C2O1	REAL300005272490	0	33	-2.0	-116.37	293.04	9.12	-107.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL300005272491	0	38	-2.0	-123.27	337.27	7.50	-115.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC(F)=CC=C2O1	REAL300005272492	0	35	-2.0	-120.59	297.58	8.16	-112.43
CCC(OC1CCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272493	0	43	-2.0	-122.47	334.16	8.68	-113.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL300005272494	0	40	-2.0	-128.28	337.71	7.13	-121.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=CC=CC=C2C1=O	REAL300005272495	0	35	-2.0	-136.58	302.28	7.97	-128.61
CS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005272496	0	33	-2.0	-129.42	302.90	4.25	-125.17
CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005272497	0	40	-2.0	-127.08	328.37	8.65	-118.43
CCN(CC)S(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272498	0	40	-2.0	-132.44	339.14	4.89	-127.55
CC1CCCC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005272499	0	43	-2.0	-129.93	337.41	9.15	-120.78
CC1=NOC(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005272500	0	35	-2.0	-124.30	308.43	4.42	-119.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=CN2N=CC=C2C1=O	REAL300005272501	0	35	-2.0	-131.37	310.67	6.96	-124.41
CCOC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OCC)=C1OCC	REAL300005272502	0	51	-2.0	-126.77	414.81	9.66	-117.11
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OC	REAL300005272503	0	42	-2.0	-128.19	349.24	6.94	-121.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300005272504	0	30	-2.0	-118.60	291.04	8.74	-109.86
CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005272505	0	44	-2.0	-128.20	359.40	8.73	-119.47
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272506	0	38	-2.0	-127.11	315.69	6.90	-120.21
CC1CCC2=C(C1)C1=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C1N2	REAL300005272507	0	47	-2.0	-140.02	373.42	10.81	-129.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(OC(F)F)C=C1	REAL300005272508	0	38	-2.0	-130.59	332.30	8.90	-121.69
NC(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272509	0	36	-2.0	-137.36	306.43	3.90	-133.46
CC1=CC(C)=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005272510	0	43	-2.0	-131.54	354.30	10.45	-121.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)CC1=CC=CC=C1	REAL300005272511	0	40	-2.0	-122.77	341.37	7.26	-115.51
CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272512	0	44	-2.0	-131.41	371.33	4.86	-126.55
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272513	0	35	-2.0	-115.13	303.14	9.05	-106.08
CC(=O)NCCCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272514	0	42	-2.0	-126.84	347.66	6.51	-120.33
CC1=CC=C(CN2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300005272515	0	47	-2.0	-107.87	386.42	10.29	-97.58
CCOC1=CC=C(N2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300005272516	0	48	-2.0	-120.27	384.97	9.12	-111.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2CCCO2)C=C1	REAL300005272517	0	45	-2.0	-129.28	360.18	8.30	-120.98
CC1=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(C)C	REAL300005272518	0	46	-2.0	-128.68	368.49	10.79	-117.89
CS(=O)(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272519	0	38	-2.0	-124.47	325.78	4.26	-120.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2OCCOC2=C1	REAL300005272520	0	39	-2.0	-130.45	326.89	7.94	-122.51
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272521	0	47	-2.0	-121.57	394.41	6.73	-114.84
COC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005272522	0	40	-2.0	-120.36	349.32	9.44	-110.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Cl)C(Cl)=C1	REAL300005272523	0	36	-2.0	-121.29	335.70	10.58	-110.71
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=C(F)C=C1F	REAL300005272524	0	40	-2.0	-122.93	342.32	9.47	-113.46
CC1=CC=CC(COC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300005272525	0	47	-2.0	-134.30	390.28	11.67	-122.63
CC(C)(C)C(=O)NCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272526	0	45	-2.0	-123.82	363.41	6.99	-116.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C(F)C=C1	REAL300005272527	0	40	-2.0	-121.41	340.16	9.27	-112.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C2C=CC=CN2C1=O	REAL300005272528	0	36	-2.0	-139.71	316.08	8.48	-131.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC2CCCO2)=C1	REAL300005272529	0	45	-2.0	-137.54	366.04	8.41	-129.13
CC1=CC=C(OC2=CC=C(OCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=C1	REAL300005272530	0	48	-2.0	-125.73	401.42	11.85	-113.88
CC(NC(=O)C(C)(C)C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272531	0	42	-2.0	-126.56	336.29	5.48	-121.08
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=NNC(=O)C=C1	REAL300005272532	0	39	-2.0	-114.13	327.99	5.95	-108.18
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=C1F	REAL300005272533	0	40	-2.0	-129.48	335.90	9.35	-120.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Br)C=C2N1	REAL300005272534	0	34	-2.0	-114.00	307.71	9.13	-104.87
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300005272535	0	53	-2.0	-128.47	416.58	13.56	-114.91
CC1=CC=CC=C1OCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272536	0	43	-2.0	-123.56	353.82	9.93	-113.63
CC1=NOC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300005272537	0	38	-2.0	-121.99	330.04	7.09	-114.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(F)=CC=C2N1	REAL300005272538	0	34	-2.0	-113.39	294.11	8.50	-104.89
CSC1=CC=C(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272539	0	37	-2.0	-121.74	315.41	9.41	-112.33
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005272540	0	47	-2.0	-129.38	395.50	7.68	-121.70
CC(C)C(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005272541	0	46	-2.0	-120.50	357.21	8.22	-112.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300005272542	0	37	-2.0	-124.27	329.07	9.29	-114.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300005272543	0	39	-2.0	-120.88	340.52	9.44	-111.44
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272544	0	37	-2.0	-118.24	333.39	9.31	-108.93
CC1(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)NC(=O)NC1=O	REAL300005272545	0	42	-2.0	-129.52	353.57	4.76	-124.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Cl)C=C2N1	REAL300005272546	0	34	-2.0	-114.36	303.14	9.04	-105.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300005272547	0	42	-2.0	-137.52	357.61	10.18	-127.34
CC(C)(C)C1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300005272548	0	46	-2.0	-120.26	362.41	10.84	-109.42
COC1=CC=C(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272549	0	41	-2.0	-127.70	346.16	8.13	-119.57
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(F)C=C1	REAL300005272550	0	39	-2.0	-123.17	333.22	8.68	-114.49
CC(C)NC(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272551	0	45	-2.0	-144.00	365.14	6.87	-137.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2CCNC2=O)=C1	REAL300005272552	0	40	-2.0	-148.98	324.61	6.28	-142.70
CC(C)(C)C1=NNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272553	0	39	-2.0	-122.13	316.34	7.38	-114.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=C1CCCC2	REAL300005272554	0	37	-2.0	-137.33	300.95	7.40	-129.93
CC1=CC=C(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300005272555	0	39	-2.0	-125.76	333.55	8.93	-116.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(Cl)C=C1	REAL300005272556	0	39	-2.0	-121.75	342.01	10.92	-110.83
COC1=CC=C(CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005272557	0	43	-2.0	-130.72	382.34	10.91	-119.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC(NC(=O)C2CC2)=CC=C1	REAL300005272558	0	45	-2.0	-129.07	378.48	8.81	-120.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC1=CC=CC=C1Cl	REAL300005272559	0	35	-2.0	-121.27	309.69	7.60	-113.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=CC=C(Br)C=C1	REAL300005272560	0	42	-2.0	-120.35	368.07	11.78	-108.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(F)C=C(Br)C=C2N1	REAL300005272561	0	34	-2.0	-110.81	313.99	9.21	-101.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300005272562	0	39	-2.0	-120.86	347.04	10.10	-110.76
CSC1=CC=C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272563	0	41	-2.0	-126.69	343.77	9.65	-117.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(N2CCNC2=O)=CC=C1F	REAL300005272564	0	40	-2.0	-132.74	335.42	6.66	-126.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300005272565	0	40	-2.0	-134.92	353.78	10.65	-124.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL300005272566	0	36	-2.0	-116.16	319.57	8.20	-107.96
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005272567	0	42	-2.0	-123.80	356.10	10.99	-112.81
CCC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C)C=C1	REAL300005272568	0	45	-2.0	-125.14	358.32	11.26	-113.88
CC(CC1=CC=CC=C1F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272569	0	39	-2.0	-121.36	313.84	8.97	-112.39
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300005272570	0	42	-2.0	-123.92	350.04	10.74	-113.18
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272571	0	42	-2.0	-121.33	358.81	10.90	-110.43
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272572	0	42	-2.0	-118.22	355.23	10.08	-108.14
CC(C)C1=CC=C(C(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272573	0	48	-2.0	-124.07	377.45	11.86	-112.21
CC1=CSC(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=N1	REAL300005272574	0	39	-2.0	-127.04	343.30	9.15	-117.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC(Cl)=CS1	REAL300005272575	0	33	-2.0	-119.75	310.88	9.19	-110.56
CC1=CC=CC(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272576	0	39	-2.0	-125.35	317.28	9.71	-115.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=COC=C2)=N1	REAL300005272577	0	36	-2.0	-135.26	329.13	7.73	-127.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCCC2)NC1=O	REAL300005272578	0	43	-2.0	-131.99	329.19	8.78	-123.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C(=O)CCC2=CC=CC=C21	REAL300005272579	0	44	-2.0	-130.29	358.57	9.93	-120.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C(=O)CCC2=CC(F)=CC=C21	REAL300005272580	0	44	-2.0	-134.94	363.54	9.91	-125.03
CCC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272581	0	39	-2.0	-126.26	325.27	10.23	-116.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NC(C2CC2)=NO1	REAL300005272582	0	41	-2.0	-125.31	348.24	7.50	-117.81
CCCCSCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272583	0	39	-2.0	-120.81	331.57	9.53	-111.28
CC1=NOC(C)=C1CC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272584	0	41	-2.0	-121.18	327.81	7.83	-113.35
CN1C=C(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300005272585	0	40	-2.0	-136.76	332.16	8.96	-127.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC(C2=COC=C2)=NO1	REAL300005272586	0	38	-2.0	-121.35	336.62	6.19	-115.16
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272587	0	49	-2.0	-124.25	392.35	9.04	-115.21
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272588	0	42	-2.0	-117.73	359.46	4.00	-113.73
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1NC(=O)CC(C)C	REAL300005272589	0	49	-2.0	-132.42	390.41	9.60	-122.82
CC(C)CNC(=O)N1CCCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005272590	0	54	-2.0	-110.09	414.72	9.07	-101.02
CC(C)=CCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272591	0	44	-2.0	-128.52	354.37	9.73	-118.79
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1NC(=O)NC(C)(C)C	REAL300005272592	0	51	-2.0	-156.70	402.97	8.31	-148.39
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272593	0	43	-2.0	-117.05	359.20	8.50	-108.55
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272594	0	46	-2.0	-117.25	378.10	9.21	-108.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC(C2=CC=CC=C2)CC1	REAL300005272595	0	49	-2.0	-124.67	379.47	12.41	-112.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCC2=CC=CC=C21	REAL300005272596	0	43	-2.0	-117.77	336.25	10.99	-106.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(I)=C1	REAL300005272597	0	27	-2.0	-119.57	274.28	7.84	-111.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2=CC=CC=C2C1	REAL300005272598	0	43	-2.0	-117.94	339.98	11.15	-106.79
CC(C)COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272599	0	46	-2.0	-126.11	375.35	10.53	-115.58
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300005272600	0	40	-2.0	-130.67	334.74	8.72	-121.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC(Br)=CS1	REAL300005272601	0	33	-2.0	-120.02	315.47	9.30	-110.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1OCC1=CC=CC=C1	REAL300005272602	0	48	-2.0	-135.54	402.31	12.06	-123.48
COC1=CC=CC=C1CC(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272603	0	46	-2.0	-125.54	366.88	10.06	-115.48
CC(OC1=CC=CC=C1Br)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272604	0	37	-2.0	-122.07	322.60	8.95	-113.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=CC2=CC=CC=C21	REAL300005272605	0	36	-2.0	-134.80	311.09	8.35	-126.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300005272606	0	37	-2.0	-125.57	341.26	11.06	-114.51
COC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272607	0	40	-2.0	-122.30	327.18	8.42	-113.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300005272608	0	39	-2.0	-137.36	361.03	7.74	-129.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CC=CN2N=C1	REAL300005272609	0	33	-2.0	-131.44	279.17	7.39	-124.05
CCC1=C2NC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300005272610	0	43	-2.0	-138.25	357.02	10.30	-127.95
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1S(N)(=O)=O	REAL300005272611	0	38	-2.0	-127.00	326.66	3.38	-123.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2CCCC2)=C1	REAL300005272612	0	44	-2.0	-127.21	347.50	9.80	-117.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=COC=C2)=N1	REAL300005272613	0	33	-2.0	-123.89	302.34	7.65	-116.24
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(F)C(Cl)=C1	REAL300005272614	0	39	-2.0	-120.20	351.47	9.17	-111.03
CC1=NN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2F)C(C)=C1	REAL300005272615	0	43	-2.0	-131.40	359.91	10.04	-121.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL300005272616	0	38	-2.0	-128.00	340.16	8.93	-119.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCCC1=CC=CS1	REAL300005272617	0	42	-2.0	-122.61	358.50	11.03	-111.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C(=O)CCC2=CC=CC=C21	REAL300005272618	0	41	-2.0	-136.41	336.14	9.33	-127.08
CC1CCC(N2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)CC1	REAL300005272619	0	50	-2.0	-111.84	377.88	9.49	-102.35
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1F	REAL300005272620	0	36	-2.0	-126.43	296.32	8.40	-118.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1CCCCC1	REAL300005272621	0	45	-2.0	-123.30	346.06	10.56	-112.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)F)C=C1	REAL300005272622	0	34	-2.0	-127.92	296.22	7.27	-120.65
CC1=CC=C(S(=O)(=O)NCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005272623	0	47	-2.0	-122.54	396.95	6.37	-116.17
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272624	0	40	-2.0	-124.79	340.95	9.93	-114.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCC2)S1	REAL300005272625	0	37	-2.0	-120.73	307.00	9.49	-111.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCC2)S1	REAL300005272626	0	34	-2.0	-120.77	289.10	8.88	-111.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300005272627	0	44	-2.0	-127.48	368.30	10.96	-116.52
COC1=CC=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300005272628	0	40	-2.0	-123.26	334.03	8.92	-114.34
CC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272629	0	37	-2.0	-128.80	314.54	9.98	-118.82
CC1=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N1C1=CC=CC=C1	REAL300005272630	0	46	-2.0	-138.28	380.82	12.19	-126.09
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272631	0	45	-2.0	-131.32	382.51	10.59	-120.73
CC1=C(S(N)(=O)=O)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005272632	0	35	-2.0	-124.08	316.40	2.36	-121.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=CC(F)=C1F	REAL300005272633	0	37	-2.0	-111.47	313.91	9.86	-101.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC(F)=C2O1	REAL300005272634	0	33	-2.0	-127.65	292.97	9.13	-118.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=C(Cl)C=C1	REAL300005272635	0	34	-2.0	-120.51	317.65	9.82	-110.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=CC=C2)=N1	REAL300005272636	0	39	-2.0	-140.33	346.09	9.72	-130.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21	REAL300005272637	0	39	-2.0	-129.54	346.44	4.41	-125.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300005272638	0	44	-2.0	-134.95	367.19	11.52	-123.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC(=O)C2CC2)S1	REAL300005272639	0	38	-2.0	-130.86	330.41	7.46	-123.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=C(Cl)N1	REAL300005272640	0	28	-2.0	-107.09	274.97	7.21	-99.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL300005272641	0	37	-2.0	-119.01	330.45	9.02	-109.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL300005272641	1	37	-2.0	-120.72	332.62	9.05	-111.67
CC1=CC=C(C2=NNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005272642	0	40	-2.0	-123.66	335.13	9.18	-114.48
CC1=CC=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NN2)C=C1	REAL300005272642	1	40	-2.0	-124.74	337.82	9.18	-115.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=CC=N2)C=C1	REAL300005272643	0	40	-2.0	-135.46	340.80	9.32	-126.14
CN1C(=O)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005272644	0	41	-2.0	-126.61	333.23	8.61	-118.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CC=C2S1	REAL300005272645	0	35	-2.0	-120.13	305.88	9.67	-110.46
COC1=CC=C(C2=NOC(CCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300005272646	0	45	-2.0	-121.35	384.12	7.54	-113.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1CC2=CC=CC=C2NC1=O	REAL300005272647	0	44	-2.0	-128.21	358.82	8.61	-119.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC=C(C2=CC=CC=C2F)O1	REAL300005272648	0	42	-2.0	-128.84	366.48	8.16	-120.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC2=CC=CC=C12	REAL300005272649	0	40	-2.0	-133.07	336.44	11.47	-121.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)NC2=CC(F)=CC=C21	REAL300005272650	0	38	-2.0	-117.21	323.63	6.96	-110.25
CC(C)(C)C1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272651	0	46	-2.0	-125.34	377.08	11.62	-113.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)NCC1=CC=C(F)C=C1	REAL300005272652	0	42	-2.0	-120.74	363.73	6.03	-114.71
CS(=O)(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005272653	0	41	-2.0	-121.22	330.80	3.71	-117.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(SC(F)(F)F)C=C1	REAL300005272654	0	38	-2.0	-123.75	348.74	10.74	-113.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(SC(F)F)C=C1	REAL300005272655	0	34	-2.0	-126.26	306.72	8.94	-117.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC1=CC=CC=C1[N+](=O)[O-]	REAL300005272656	0	40	-2.0	-125.27	342.85	8.63	-116.64
CC1=NN2C(=C1)N=CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2C	REAL300005272657	0	38	-2.0	-113.74	311.43	7.61	-106.13
CS(=O)(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272658	0	38	-2.0	-126.82	330.36	4.39	-122.43
COC1=CC=C(F)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272659	0	34	-2.0	-122.42	288.63	7.74	-114.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CN(C2=CC=CC=C2)N=C1	REAL300005272660	0	40	-2.0	-128.45	341.21	9.98	-118.47
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL300005272661	0	42	-2.0	-139.70	360.19	7.96	-131.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CC=C2)N=N1	REAL300005272662	0	39	-2.0	-123.93	337.67	8.70	-115.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCNC(=O)NC1CCCCC1	REAL300005272663	0	51	-2.0	-125.55	403.27	7.14	-118.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(OC(F)F)C=C1	REAL300005272664	0	40	-2.0	-127.69	343.04	9.20	-118.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300005272665	0	35	-2.0	-125.54	311.81	7.86	-117.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL300005272665	1	35	-2.0	-112.70	307.83	7.70	-105.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300005272666	0	36	-2.0	-118.95	318.02	8.78	-110.17
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC(Cl)=C1	REAL300005272667	0	40	-2.0	-122.49	347.02	9.78	-112.71
CC(=O)NCC(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272668	0	37	-2.0	-121.15	319.74	1.97	-119.18
NS(=O)(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272669	0	35	-2.0	-128.85	329.02	2.90	-125.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC(C(F)(F)F)C1	REAL300005272670	0	39	-2.0	-119.98	309.40	8.65	-111.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCCOC1=CC=CC=C1	REAL300005272671	0	41	-2.0	-133.82	346.58	8.58	-125.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCOCC1CCCO1	REAL300005272672	0	41	-2.0	-126.32	334.98	6.30	-120.02
COC1=CC=CC(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272673	0	41	-2.0	-127.27	346.37	8.12	-119.15
COC1=CC=CC(COC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272674	0	44	-2.0	-130.46	361.09	8.22	-122.24
CCOC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272675	0	43	-2.0	-123.97	355.17	9.82	-114.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCCNC(=O)NC1CCCCC1	REAL300005272676	0	57	-2.0	-126.94	446.27	8.69	-118.25
CC(CC1CCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272677	0	45	-2.0	-123.11	337.49	9.28	-113.83
CCC(CC1CCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272678	0	48	-2.0	-128.59	354.48	10.64	-117.95
CCC(CC1CCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272679	0	45	-2.0	-126.32	335.92	9.92	-116.40
CC1=NN(C)C=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272680	0	39	-2.0	-123.38	327.31	7.95	-115.43
CC1=CC=CC=C1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272681	0	42	-2.0	-124.57	334.63	10.47	-114.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC(C2=CC=C(F)C=C2)=N1	REAL300005272682	0	39	-2.0	-135.46	344.61	7.44	-128.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL300005272683	0	44	-2.0	-130.21	375.29	11.07	-119.14
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005272684	0	43	-2.0	-124.41	366.35	11.95	-112.46
CC1=C2NC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300005272685	0	40	-2.0	-138.32	335.34	9.53	-128.79
CC1=NC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005272686	0	31	-2.0	-113.68	281.51	7.39	-106.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1SCCC2=CC=CC=C21	REAL300005272687	0	38	-2.0	-135.64	319.39	9.91	-125.73
CN1C(=O)NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300005272688	0	33	-2.0	-115.82	274.91	5.29	-110.53
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC(C(F)(F)F)=CC=C21	REAL300005272689	0	40	-2.0	-117.22	342.10	10.18	-107.04
CCC1=NC(COC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NO1	REAL300005272690	0	45	-2.0	-129.29	376.19	7.26	-122.03
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(F)=C1	REAL300005272691	0	37	-2.0	-115.46	314.92	9.13	-106.33
CC1=CC=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1C	REAL300005272692	0	40	-2.0	-121.31	325.36	9.60	-111.71
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CN(C)N=C2)=N1	REAL300005272693	0	39	-2.0	-120.33	340.20	7.08	-113.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2=NC=CS2)=C1	REAL300005272694	0	37	-2.0	-124.20	327.61	6.30	-117.90
CCC(CC1=CC=CC(Br)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272695	0	42	-2.0	-120.41	349.84	10.53	-109.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CSC(Br)=C1	REAL300005272696	0	31	-2.0	-122.43	304.88	8.99	-113.44
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300005272697	0	39	-2.0	-124.04	323.77	10.05	-113.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=C(F)C=CC=C1F	REAL300005272698	0	37	-2.0	-132.74	318.30	10.12	-122.62
CC(CCC1=CC=CC=C1F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272699	0	42	-2.0	-123.32	344.12	9.97	-113.35
CC(C)C1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300005272700	0	43	-2.0	-119.87	346.48	10.44	-109.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2CCCCC2=O)C=C1	REAL300005272701	0	47	-2.0	-136.06	377.45	10.03	-126.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=CC=CC=C2NC1=O	REAL300005272702	0	39	-2.0	-148.00	332.73	7.85	-140.15
CC(C)S(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272703	0	35	-2.0	-136.31	302.44	4.32	-131.99
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC(Cl)=C1	REAL300005272704	0	39	-2.0	-124.94	343.55	9.12	-115.82
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300005272705	0	45	-2.0	-144.39	355.47	7.79	-136.60
CC1=CC=C(CCC(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272706	0	46	-2.0	-121.85	384.18	8.75	-113.10
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300005272707	0	37	-2.0	-127.00	328.04	10.40	-116.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300005272708	0	37	-2.0	-130.08	319.72	9.04	-121.04
COCCN1C(C)=C(C)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005272709	0	50	-2.0	-138.08	406.27	10.54	-127.54
CC1=CC=CC=C1COC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272710	0	50	-2.0	-136.02	409.82	12.74	-123.28
CCC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C3=C2CCC3)C=C1	REAL300005272711	0	50	-2.0	-139.68	406.11	12.99	-126.69
CC1CCCCC1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272712	0	43	-2.0	-127.57	336.59	9.19	-118.38
CC1=NC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272713	0	33	-2.0	-125.54	300.37	7.27	-118.27
CC1=C(Cl)C=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272714	0	37	-2.0	-123.14	325.42	9.48	-113.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NN=CN1C1=CC=CC=C1	REAL300005272715	0	42	-2.0	-120.41	355.25	11.83	-108.58
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=C(F)C=C12	REAL300005272716	0	36	-2.0	-116.84	311.27	9.81	-107.03
COC1=CC=C2SC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300005272717	0	40	-2.0	-121.96	334.39	9.03	-112.93
COC1=CC=C(Cl)C=C1NCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272718	0	42	-2.0	-124.03	362.52	7.66	-116.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300005272719	0	41	-2.0	-124.27	339.42	9.03	-115.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300005272720	0	41	-2.0	-124.15	349.73	9.48	-114.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	REAL300005272721	0	47	-2.0	-127.94	386.63	6.52	-121.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300005272722	0	37	-2.0	-125.74	322.17	9.73	-116.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC2=CC=C(Cl)C=C21	REAL300005272723	0	37	-2.0	-121.30	332.16	10.75	-110.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300005272724	0	50	-2.0	-125.43	391.55	11.30	-114.13
CS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005272725	0	38	-2.0	-129.29	345.90	5.87	-123.42
CC1=CC=C(OCC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)C(C)=C1	REAL300005272726	0	47	-2.0	-122.36	392.87	11.50	-110.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300005272727	0	37	-2.0	-124.43	345.92	10.03	-114.40
COC1=CC=C(N2C=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300005272728	0	41	-2.0	-132.73	345.27	8.96	-123.77
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC(Cl)=C1	REAL300005272729	0	44	-2.0	-126.59	371.09	12.06	-114.53
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=C(C)C=CC(C)=C12	REAL300005272730	0	42	-2.0	-128.07	339.02	10.72	-117.35
CC1=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300005272731	0	36	-2.0	-125.40	307.97	9.72	-115.68
CC1=C(C)C=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005272732	0	42	-2.0	-127.08	349.28	10.37	-116.71
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1OC	REAL300005272733	0	42	-2.0	-123.94	371.78	9.18	-114.76
CC1=CC=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1C	REAL300005272734	0	42	-2.0	-127.11	349.33	10.37	-116.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCCCC2)S1	REAL300005272735	0	43	-2.0	-121.68	332.59	10.37	-111.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300005272736	0	41	-2.0	-126.48	345.19	11.62	-114.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300005272737	0	39	-2.0	-123.54	336.43	9.80	-113.74
CCCC1=C(CC)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005272738	0	42	-2.0	-120.03	346.20	10.45	-109.58
CC(C)(C)C1CCC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C1	REAL300005272739	0	49	-2.0	-121.36	377.82	11.47	-109.89
CC1=C(C)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N1	REAL300005272740	0	40	-2.0	-135.61	324.74	8.87	-126.74
CCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272741	0	45	-2.0	-126.63	373.62	9.45	-117.18
CCOC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1OC	REAL300005272742	0	45	-2.0	-124.29	393.64	10.10	-114.19
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272743	0	42	-2.0	-133.43	359.84	4.19	-129.24
CC1=NOC(C)=C1CSCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272744	0	39	-2.0	-122.18	344.10	8.97	-113.21
CSCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=CC=CC=C21	REAL300005272745	0	40	-2.0	-127.55	349.21	10.85	-116.70
CC1=CC=CC(CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272746	0	40	-2.0	-125.99	348.23	10.86	-115.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(=O)C2=CC=CC=C21	REAL300005272747	0	35	-2.0	-115.80	298.56	6.25	-109.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(F)C=CC=C2S1	REAL300005272748	0	33	-2.0	-122.97	296.69	9.31	-113.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=C(Cl)C=CC=C1Cl	REAL300005272749	0	34	-2.0	-129.41	324.01	10.22	-119.19
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C(C)C	REAL300005272750	0	43	-2.0	-129.43	329.63	9.44	-119.99
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272751	0	44	-2.0	-120.52	373.54	5.39	-115.13
CC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005272752	0	37	-2.0	-124.32	328.56	10.41	-113.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(C2=CC=CC=C2)O1	REAL300005272753	0	43	-2.0	-123.71	364.03	11.46	-112.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300005272754	0	47	-2.0	-128.67	390.56	11.01	-117.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Br)=CC=C1F	REAL300005272755	0	30	-2.0	-117.02	280.71	8.44	-108.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1	REAL300005272756	0	39	-2.0	-144.35	352.46	9.79	-134.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300005272757	0	39	-2.0	-135.26	362.77	10.24	-125.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2)N=C1	REAL300005272758	0	36	-2.0	-122.59	313.14	8.13	-114.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300005272759	0	43	-2.0	-127.78	356.59	12.20	-115.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(I)=C1	REAL300005272760	0	30	-2.0	-123.32	279.87	8.76	-114.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCOC2=C1	REAL300005272761	0	33	-2.0	-126.62	283.12	6.35	-120.27
COC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OC	REAL300005272762	0	45	-2.0	-125.35	374.29	7.90	-117.45
CCCCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272763	0	46	-2.0	-125.05	372.82	10.28	-114.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300005272764	0	32	-2.0	-104.47	296.01	8.87	-95.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300005272765	0	33	-2.0	-120.52	314.30	9.75	-110.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300005272766	0	40	-2.0	-129.81	326.06	11.09	-118.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Cl)C=C1	REAL300005272767	0	33	-2.0	-120.51	299.11	9.30	-111.21
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005272768	0	35	-2.0	-114.86	296.31	8.75	-106.11
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COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272772	0	41	-2.0	-127.06	341.13	7.98	-119.08
CSC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272773	0	34	-2.0	-120.06	308.02	9.23	-110.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300005272774	0	33	-2.0	-123.93	310.14	9.67	-114.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(Cl)=C1	REAL300005272775	0	34	-2.0	-123.73	309.91	9.83	-113.90
COC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272776	0	38	-2.0	-127.92	322.62	8.61	-119.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1[N+](=O)[O-]	REAL300005272777	0	36	-2.0	-137.05	318.37	9.87	-127.18
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OC	REAL300005272778	0	46	-2.0	-123.18	384.38	8.45	-114.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC2=CC=CC=C2C=C1	REAL300005272779	0	40	-2.0	-126.92	347.01	11.57	-115.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300005272780	0	36	-2.0	-116.19	326.45	9.59	-106.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300005272781	0	34	-2.0	-119.69	302.96	7.48	-112.21
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])S2	REAL300005272782	0	43	-2.0	-122.88	372.28	10.94	-111.94
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272783	0	47	-2.0	-129.39	393.71	7.40	-121.99
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=C1	REAL300005272784	0	44	-2.0	-129.29	357.47	11.68	-117.61
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=C(F)C=C1	REAL300005272785	0	44	-2.0	-125.06	362.79	11.69	-113.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC2=CC=CC=C2C=C1	REAL300005272786	0	40	-2.0	-130.37	337.33	10.61	-119.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCSC1=CC=CC=C1	REAL300005272787	0	37	-2.0	-123.75	322.58	10.07	-113.68
CCC1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272788	0	40	-2.0	-128.74	333.00	9.79	-118.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1CC1=CC=CC=C1	REAL300005272789	0	47	-2.0	-134.78	390.76	12.82	-121.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300005272790	0	41	-2.0	-119.08	357.79	10.15	-108.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C([N+](=O)[O-])S1	REAL300005272791	0	29	-2.0	-106.46	273.21	7.68	-98.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC=CC=C2O1	REAL300005272792	0	36	-2.0	-130.28	299.82	7.59	-122.69
CC1=CC(C)=NC2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NN21	REAL300005272793	0	37	-2.0	-142.56	319.26	10.10	-132.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(C(=O)NC2=CC=CC=C2)C1	REAL300005272794	0	49	-2.0	-135.04	387.94	9.70	-125.34
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1S(N)(=O)=O	REAL300005272795	0	38	-2.0	-138.26	325.89	3.36	-134.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CN(C2=CC=CC=C2)N=C1	REAL300005272796	0	41	-2.0	-131.04	352.71	10.55	-120.49
CCC1=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005272797	0	43	-2.0	-130.92	366.63	11.39	-119.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300005272798	0	34	-2.0	-119.62	313.30	9.14	-110.48
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300005272799	0	37	-2.0	-127.91	306.58	7.72	-120.19
COC1=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1	REAL300005272800	0	44	-2.0	-128.84	362.79	8.22	-120.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300005272801	0	45	-2.0	-133.12	382.41	10.01	-123.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC=C1F	REAL300005272802	0	30	-2.0	-117.19	276.24	8.34	-108.85
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272803	0	51	-2.0	-127.86	406.30	10.76	-117.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC=C(Cl)C=C2C1	REAL300005272804	0	38	-2.0	-110.93	319.08	8.66	-102.27
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272805	0	50	-2.0	-129.76	409.54	9.51	-120.25
CC1=NC(C2=CNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=CS1	REAL300005272806	0	37	-2.0	-122.58	327.04	7.80	-114.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(C2=CC=CC=C2F)O1	REAL300005272807	0	43	-2.0	-126.51	372.44	11.58	-114.93
CCCCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005272808	0	51	-2.0	-126.10	416.61	11.03	-115.07
CCCOC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005272809	0	47	-2.0	-121.83	395.90	10.19	-111.64
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL300005272810	0	39	-2.0	-127.42	332.74	8.57	-118.85
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300005272811	0	42	-2.0	-131.46	359.34	10.79	-120.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300005272812	0	39	-2.0	-132.94	353.35	9.98	-122.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2SCCS2)C=C1	REAL300005272813	0	39	-2.0	-130.10	344.47	10.71	-119.39
CS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272814	0	36	-2.0	-135.02	312.63	5.23	-129.79
CS(=O)(=O)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272815	0	39	-2.0	-140.28	337.00	5.90	-134.38
CCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005272816	0	48	-2.0	-126.55	395.47	10.37	-116.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=CC(Cl)=C1	REAL300005272817	0	37	-2.0	-125.10	343.56	10.71	-114.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=C(Cl)C=C1	REAL300005272818	0	37	-2.0	-122.45	343.56	10.72	-111.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL300005272819	0	44	-2.0	-127.23	378.63	12.58	-114.65
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OCC(C)C	REAL300005272820	0	51	-2.0	-126.41	415.22	10.93	-115.48
CCOC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC	REAL300005272821	0	45	-2.0	-126.62	373.61	9.45	-117.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL300005272822	0	41	-2.0	-131.79	346.72	9.16	-122.63
CC1CCC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C1	REAL300005272823	0	40	-2.0	-121.39	329.54	10.02	-111.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1	REAL300005272824	0	47	-2.0	-129.64	382.26	11.36	-118.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Br)=CC=C2O1	REAL300005272825	0	33	-2.0	-117.10	307.82	9.69	-107.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=CC=N2)O1	REAL300005272826	0	37	-2.0	-119.88	323.88	8.50	-111.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(C2=NC=CC=N2)C1	REAL300005272827	0	43	-2.0	-121.05	335.75	7.05	-114.00
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=NC=CS1	REAL300005272828	0	40	-2.0	-128.50	333.35	10.06	-118.44
CC(C)C1=CC=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272829	0	43	-2.0	-128.82	351.52	10.25	-118.57
CC(C)C1=CC(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1	REAL300005272830	0	46	-2.0	-127.66	362.39	10.21	-117.45
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272831	0	49	-2.0	-128.90	382.21	10.94	-117.96
CC1=CC(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(C)C	REAL300005272832	0	49	-2.0	-127.41	380.96	10.98	-116.43
CC(OC1=CC=CC(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272833	0	37	-2.0	-124.65	308.60	8.37	-116.28
CC(NC(=O)C1CCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272834	0	43	-2.0	-125.00	344.69	6.73	-118.27
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272835	0	46	-2.0	-123.53	385.11	10.96	-112.57
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272836	0	39	-2.0	-115.65	343.30	9.96	-105.69
NC(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272837	0	39	-2.0	-124.99	332.14	3.89	-121.10
CCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCCC	REAL300005272838	0	50	-2.0	-128.33	402.40	10.34	-117.99
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=C1C(=O)CCC2	REAL300005272839	0	40	-2.0	-121.70	321.80	8.52	-113.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300005272840	0	46	-2.0	-128.07	358.81	11.47	-116.60
CSC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272841	0	34	-2.0	-125.70	297.12	8.70	-117.00
COC1=CC=C(C(C)=O)C=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272842	0	42	-2.0	-144.14	353.24	8.63	-135.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2CCCCC2=C1	REAL300005272843	0	43	-2.0	-128.08	345.08	11.27	-116.81
CC1=CC=C(SCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005272844	0	43	-2.0	-123.61	360.96	11.25	-112.36
COCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272845	0	37	-2.0	-129.60	312.09	7.40	-122.20
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272846	0	49	-2.0	-126.10	379.54	10.84	-115.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCC1=CC=CC=C1	REAL300005272847	0	37	-2.0	-126.50	316.85	8.82	-117.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(F)=CC=C2S1	REAL300005272848	0	33	-2.0	-116.31	296.73	9.32	-106.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21	REAL300005272849	0	45	-2.0	-128.48	372.97	7.30	-121.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1	REAL300005272850	0	41	-2.0	-141.76	363.11	11.34	-130.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2F)O1	REAL300005272851	0	37	-2.0	-128.72	327.56	10.53	-118.19
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272852	0	43	-2.0	-118.37	354.65	11.53	-106.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300005272853	0	42	-2.0	-129.02	366.01	5.52	-123.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2CC2)=N1	REAL300005272854	0	33	-2.0	-124.70	294.07	8.16	-116.54
CS(=O)(=O)C1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272855	0	46	-2.0	-129.30	394.43	6.73	-122.57
NS(=O)(=O)CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272856	0	38	-2.0	-138.43	335.72	3.38	-135.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2)N1	REAL300005272857	0	38	-2.0	-122.69	317.78	9.93	-112.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300005272858	0	37	-2.0	-133.38	316.73	8.95	-124.43
CC(C)C1=NC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005272859	0	37	-2.0	-116.39	321.92	8.56	-107.83
CS(=O)(=O)NC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005272860	0	38	-2.0	-134.97	335.92	4.57	-130.40
CC(=O)C1=CC=CC(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272861	0	45	-2.0	-130.02	374.24	9.57	-120.45
CC(=O)CCC1=CC=C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272862	0	48	-2.0	-126.19	390.85	10.66	-115.53
CC(=O)C1=CC=CC(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272863	0	42	-2.0	-128.34	342.62	8.70	-119.64
COCCS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272864	0	43	-2.0	-126.89	372.81	5.19	-121.70
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CS(=O)(=O)N1CCCC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005272919	0	45	-2.0	-130.87	366.97	7.00	-123.87
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CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1	REAL300005272922	0	47	-2.0	-150.20	387.46	10.57	-139.63
CC(=O)NC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300005272923	0	40	-2.0	-146.26	331.53	7.46	-138.80
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CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])S(C)(=O)=O	REAL300005272927	0	34	-2.0	-139.96	299.82	3.28	-136.68
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCNC(=O)C1CC1	REAL300005272930	0	40	-2.0	-124.24	335.49	6.53	-117.71
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CC(SC1=CC=CC=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272932	0	37	-2.0	-121.34	327.34	9.34	-112.00
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CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=C(Cl)C=C1	REAL300005272934	0	44	-2.0	-125.15	373.12	12.15	-113.00
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CCSCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272936	0	40	-2.0	-130.53	344.61	10.45	-120.08
COC1=CC=CC2=C1OCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300005272937	0	40	-2.0	-126.61	331.21	7.16	-119.45
CC(C)NC(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272938	0	45	-2.0	-141.42	370.99	7.03	-134.39
CC(C)(C)CC(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272939	0	42	-2.0	-120.88	334.56	6.16	-114.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC2=CC=CC=C21	REAL300005272940	0	37	-2.0	-124.26	315.44	10.24	-114.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=CC(F)=C1	REAL300005272941	0	40	-2.0	-121.26	340.16	9.25	-112.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O	REAL300005272942	0	42	-2.0	-140.33	358.65	9.17	-131.16
COCCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272943	0	41	-2.0	-135.46	342.58	7.22	-128.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300005272944	0	33	-2.0	-122.11	328.70	9.31	-112.80
CCCC(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005272945	0	46	-2.0	-133.01	354.99	7.43	-125.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C([N+](=O)[O-])C=CC1=O	REAL300005272946	0	35	-2.0	-119.17	315.23	8.06	-111.11
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC(C)=CC=C1	REAL300005272947	0	42	-2.0	-128.67	348.18	9.27	-119.40
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005272948	0	39	-2.0	-120.02	323.74	10.03	-109.99
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005272949	0	37	-2.0	-122.53	318.59	10.02	-112.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC2=CC=CC=C2C=C1	REAL300005272950	0	42	-2.0	-128.93	349.90	11.87	-117.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300005272951	0	37	-2.0	-126.64	329.07	9.29	-117.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300005272952	0	37	-2.0	-126.29	332.47	10.18	-116.11
COC1=CC=CC=C1C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005272953	0	40	-2.0	-131.20	344.74	9.16	-122.04
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272954	0	46	-2.0	-129.25	382.12	10.37	-118.88
CC(OCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272955	0	40	-2.0	-126.04	331.58	8.92	-117.12
COC1=CC=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])COC2=C1	REAL300005272956	0	42	-2.0	-126.20	344.09	7.95	-118.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCCC1=CC=CC=C1	REAL300005272957	0	40	-2.0	-126.01	338.15	9.61	-116.40
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300005272958	0	44	-2.0	-135.08	365.79	10.80	-124.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300005272959	0	47	-2.0	-134.05	364.36	9.63	-124.42
CC(OC1=CC=CC(Br)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272960	0	37	-2.0	-122.50	323.47	8.92	-113.58
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC(C)=CC(C)=C1	REAL300005272961	0	50	-2.0	-129.20	397.21	12.87	-116.33
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CO2)O1	REAL300005272962	0	39	-2.0	-127.19	340.24	5.84	-121.35
COCC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272963	0	37	-2.0	-130.08	312.67	7.45	-122.63
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272964	0	43	-2.0	-138.08	372.37	11.13	-126.95
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272964	1	42	-3.0	-232.34	368.95	10.97	-221.37
CC1=CC=C(C2=NC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300005272965	0	42	-2.0	-140.46	367.45	10.40	-130.06
CN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005272966	0	37	-2.0	-129.57	306.44	9.37	-120.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(OC(F)F)C=C1	REAL300005272967	0	37	-2.0	-126.01	321.65	8.39	-117.62
CC1CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N1S(C)(=O)=O	REAL300005272968	0	45	-2.0	-140.30	366.01	7.22	-133.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=C(SC=C2)S1	REAL300005272969	0	30	-2.0	-117.40	294.18	8.75	-108.65
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300005272970	0	36	-2.0	-122.73	308.69	9.75	-112.98
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005272971	0	34	-2.0	-122.54	306.88	7.65	-114.89
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272972	0	42	-2.0	-136.01	364.75	5.70	-130.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1	REAL300005272973	0	43	-2.0	-124.64	371.98	9.81	-114.83
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=NS(=O)(=O)C2=CC=CC=C21	REAL300005272974	0	42	-2.0	-155.44	360.26	6.21	-149.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=C(Cl)C2=CC=CC=C2S1	REAL300005272975	0	37	-2.0	-130.69	344.99	11.23	-119.46
COCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=CC(F)=C21	REAL300005272976	0	40	-2.0	-126.33	342.32	8.79	-117.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300005272977	0	39	-2.0	-125.96	330.91	8.15	-117.81
CC1=CC(N2C(C)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C)=NO1	REAL300005272978	0	43	-2.0	-127.68	352.88	10.57	-117.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1	REAL300005272979	0	39	-2.0	-138.14	356.36	10.02	-128.12
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300005272980	0	39	-2.0	-120.00	335.38	9.31	-110.69
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CS2)=N1	REAL300005272981	0	36	-2.0	-120.23	327.74	8.39	-111.84
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CC(Cl)=C2)=N1	REAL300005272982	0	39	-2.0	-118.68	353.26	9.78	-108.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300005272983	0	36	-2.0	-126.98	334.05	10.12	-116.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300005272984	0	36	-2.0	-126.98	317.33	9.61	-117.37
COC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1OC(F)F	REAL300005272985	0	42	-2.0	-132.50	362.43	8.92	-123.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=C(F)C(F)=C1	REAL300005272986	0	34	-2.0	-116.41	313.61	9.42	-106.99
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCCCC1	REAL300005272987	0	50	-2.0	-129.12	371.04	11.33	-117.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=CS2)=N1	REAL300005272988	0	36	-2.0	-139.33	338.03	8.83	-130.50
COC1=CC=C(C)C=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272989	0	40	-2.0	-131.50	332.64	8.86	-122.64
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272990	0	40	-2.0	-136.03	361.01	5.23	-130.80
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272991	0	40	-2.0	-129.06	355.35	5.20	-123.86
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272992	0	45	-2.0	-124.60	383.75	6.21	-118.39
COC1=CC=C(C)C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272993	0	41	-2.0	-133.86	342.33	9.32	-124.54
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272994	0	49	-2.0	-131.62	383.84	11.24	-120.38
CC1=CC=C(Cl)C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005272995	0	40	-2.0	-128.36	341.00	9.82	-118.54
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005272996	0	47	-2.0	-124.79	394.48	6.14	-118.65
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272997	0	37	-2.0	-121.66	335.46	9.61	-112.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(F)C(Cl)=C1	REAL300005272998	0	34	-2.0	-119.59	313.90	8.90	-110.69
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005272999	0	47	-2.0	-128.83	377.75	12.04	-116.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(Br)=C1	REAL300005273000	0	34	-2.0	-123.64	314.47	9.93	-113.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300005273001	0	37	-2.0	-119.60	348.63	7.56	-112.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCNC(=O)C1=CC=C(Cl)C=C1	REAL300005273002	0	43	-2.0	-121.83	377.08	8.55	-113.28
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC(C)=CC=C1	REAL300005273003	0	47	-2.0	-129.29	379.06	12.34	-116.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCCC2)S1	REAL300005273004	0	40	-2.0	-120.95	324.28	10.09	-110.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CNC2=CC=CC=C12	REAL300005273005	0	40	-2.0	-133.64	335.68	9.65	-123.99
CC1=CC(C)=NC(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273006	0	38	-2.0	-130.28	336.60	8.04	-122.24
CC1CCC2=C(C1)SC=C2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273007	0	40	-2.0	-121.58	324.10	9.90	-111.68
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273008	0	43	-2.0	-131.19	356.79	9.90	-121.29
CCOC1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273009	0	47	-2.0	-122.41	385.10	9.39	-113.02
COC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1OC	REAL300005273010	0	48	-2.0	-131.32	395.99	8.78	-122.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=CC=C1F	REAL300005273011	0	40	-2.0	-127.65	339.98	9.28	-118.37
CCN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300005273012	0	40	-2.0	-124.43	324.81	10.08	-114.35
CC1=CC=C(C2=NOC(CCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1F	REAL300005273013	0	44	-2.0	-119.44	381.37	8.93	-110.51
CC1=CC(C2=NOC(CCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)=CC=C1F	REAL300005273014	0	44	-2.0	-118.75	381.37	8.93	-109.82
CCOCCOC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273015	0	40	-2.0	-120.42	325.48	6.10	-114.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(NC(=O)NC2CC2)=CC=C1	REAL300005273016	0	43	-2.0	-143.08	354.61	6.96	-136.12
CCN1C(=O)C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2S1(=O)=O	REAL300005273017	0	41	-2.0	-125.52	362.12	5.08	-120.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)NC1CCCCC1	REAL300005273018	0	45	-2.0	-123.67	359.66	5.67	-118.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)NCC1=CC=CO1	REAL300005273019	0	39	-2.0	-122.21	338.07	4.09	-118.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C2C=CC=CC2=NN1	REAL300005273020	0	36	-2.0	-125.43	309.10	7.40	-118.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300005273021	0	38	-2.0	-115.79	332.51	8.32	-107.47
CCCCSC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273022	0	39	-2.0	-118.98	323.34	8.43	-110.55
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1	REAL300005273023	0	42	-2.0	-140.37	352.44	8.95	-131.42
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1	REAL300005273024	0	39	-2.0	-128.58	327.41	8.58	-120.00
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(C)C=C1	REAL300005273025	0	42	-2.0	-127.92	348.22	9.28	-118.64
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Br	REAL300005273026	0	39	-2.0	-125.97	334.90	10.45	-115.52
CC(CCC1=CC=CC(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273027	0	42	-2.0	-123.90	344.21	9.90	-114.00
CC1=CC2=C(C=C1C)OC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300005273028	0	41	-2.0	-130.54	330.10	9.64	-120.90
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)S1	REAL300005273029	0	33	-2.0	-114.60	306.17	8.24	-106.36
CCCOC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273030	0	46	-2.0	-123.73	376.64	10.64	-113.09
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005273031	0	40	-2.0	-125.02	351.70	10.98	-114.04
CCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273032	0	38	-2.0	-123.04	314.29	9.51	-113.53
CC(CCOC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273033	0	43	-2.0	-122.28	346.28	8.66	-113.62
CCC(OC1=CC=CC=C1F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273034	0	40	-2.0	-124.51	320.43	8.82	-115.69
CC1=C(C)C=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273035	0	39	-2.0	-125.67	325.50	10.28	-115.39
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2CCCC2)=N1	REAL300005273036	0	42	-2.0	-116.16	342.51	8.90	-107.26
COC1=CC=C(C2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C=C1	REAL300005273037	0	40	-2.0	-117.50	347.29	8.08	-109.42
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1N=NC(C2=CC=CC=C2)=N1	REAL300005273038	0	41	-2.0	-125.98	348.55	7.39	-118.59
CCC1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300005273039	0	43	-2.0	-126.83	361.30	11.86	-114.97
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300005273040	0	43	-2.0	-132.89	349.81	10.03	-122.86
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1[N+](=O)[O-]	REAL300005273041	0	40	-2.0	-141.12	338.29	9.46	-131.66
CC(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300005273042	0	39	-2.0	-128.41	321.03	8.06	-120.35
CC(C)CC(C)OCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273043	0	45	-2.0	-123.58	357.64	8.72	-114.86
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300005273044	0	36	-2.0	-116.01	327.77	10.02	-105.99
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273045	0	45	-2.0	-128.98	390.73	6.33	-122.65
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273046	0	41	-2.0	-125.86	349.21	5.37	-120.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300005273047	0	44	-2.0	-144.27	369.70	11.71	-132.56
CC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C3=C2CCC3)C=C1	REAL300005273048	0	47	-2.0	-140.95	382.19	12.13	-128.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=COC(C2=CC=CC=C2)=N1	REAL300005273049	0	43	-2.0	-133.34	383.49	8.59	-124.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=CC2=CC=CC=C2C1=O	REAL300005273050	0	38	-2.0	-140.63	329.20	7.81	-132.82
CCN1C(=O)NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2C1=O	REAL300005273051	0	42	-2.0	-118.33	353.07	7.21	-111.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C(Br)C=CC1=O	REAL300005273052	0	33	-2.0	-135.93	307.85	7.97	-127.96
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300005273053	0	53	-2.0	-128.93	417.88	13.57	-115.36
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CS2)O1	REAL300005273054	0	36	-2.0	-124.80	323.93	7.53	-117.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300005273055	0	45	-2.0	-127.97	361.52	8.29	-119.68
CC1CCC(NS(=O)(=O)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273056	0	47	-2.0	-131.12	374.75	5.43	-125.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(NC(=O)C2CCCC2)CC1	REAL300005273057	0	53	-2.0	-120.61	400.00	8.90	-111.71
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2NN=CC2=C1	REAL300005273058	0	36	-2.0	-128.47	297.59	7.04	-121.43
CC1=CC2=CNN=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273058	1	36	-2.0	-139.69	298.23	7.09	-132.60
CC1=NOC(C)=C1C(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273059	0	38	-2.0	-114.13	303.79	6.74	-107.39
CC(C)(C)C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273060	0	38	-2.0	-124.95	321.31	8.12	-116.83
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CCCNC(=O)NC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273062	0	48	-2.0	-135.24	396.36	7.94	-127.30
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COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300005273064	0	46	-2.0	-135.50	387.83	4.78	-130.72
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300005273065	0	39	-2.0	-130.93	336.81	10.30	-120.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300005273066	0	47	-2.0	-132.30	386.30	13.18	-119.12
COCCN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CC1=O	REAL300005273067	0	39	-2.0	-113.51	328.71	5.48	-108.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300005273068	0	36	-2.0	-122.41	333.97	10.15	-112.26
CC1=NC(CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273069	0	36	-2.0	-129.49	333.41	7.88	-121.61
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OCC(N)=O	REAL300005273070	0	46	-2.0	-132.92	390.34	6.49	-126.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NC2=CC=CC=C2C1=O	REAL300005273071	0	37	-2.0	-136.20	324.27	6.39	-129.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CN(C2=CC=CC=C2)N=C1	REAL300005273072	0	43	-2.0	-125.35	362.62	10.81	-114.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(Br)S1	REAL300005273073	0	36	-2.0	-121.17	337.15	10.19	-110.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCSC1=CC=CC=C1F	REAL300005273074	0	37	-2.0	-122.86	328.34	10.09	-112.77
CCCN1C(=O)N(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273075	0	49	-2.0	-129.60	406.31	11.67	-117.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300005273076	0	36	-2.0	-120.96	315.60	7.76	-113.20
CC1CC1C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273077	0	41	-2.0	-127.51	345.29	10.43	-117.08
CC1=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CNC2=CC=C1	REAL300005273078	0	40	-2.0	-128.09	328.26	9.19	-118.90
CN(C)C(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273079	0	39	-2.0	-132.23	321.26	6.88	-125.35
CCCN(CCC)C(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273080	0	51	-2.0	-132.32	406.03	10.32	-122.00
CCCN(CCC)C(=O)CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273081	0	48	-2.0	-127.86	384.53	9.54	-118.32
CCNC(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273082	0	39	-2.0	-131.66	324.97	5.77	-125.89
CCCNC(=O)CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273083	0	39	-2.0	-124.87	324.97	5.75	-119.12
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NNC=N2)=N1	REAL300005273084	0	35	-2.0	-122.65	312.37	6.38	-116.27
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1Cl	REAL300005273085	0	39	-2.0	-130.42	344.05	9.26	-121.16
CCCNC(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273086	0	42	-2.0	-131.47	346.47	6.53	-124.94
CC(C)NC(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273087	0	42	-2.0	-132.33	345.60	6.57	-125.76
NC(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005273088	0	41	-2.0	-133.17	350.98	6.50	-126.67
COC1=CC=CC=C1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273089	0	43	-2.0	-130.51	345.12	9.31	-121.20
CCOC1=CC=CC=C1C(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])NC(C)=O	REAL300005273090	0	50	-2.0	-130.93	401.69	8.12	-122.81
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273091	0	39	-2.0	-118.83	344.09	9.98	-108.85
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273092	0	44	-2.0	-139.61	368.70	10.07	-129.54
CC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273093	0	39	-2.0	-123.97	319.53	9.81	-114.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=CC=CC=C1)C(F)(F)F	REAL300005273094	0	39	-2.0	-125.42	329.75	10.16	-115.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL300005273095	0	39	-2.0	-115.58	344.05	7.45	-108.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CC2=CC=CC=C2C1=O	REAL300005273096	0	38	-2.0	-146.83	326.20	8.55	-138.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1OCCC2=C1SC=C2	REAL300005273097	0	38	-2.0	-120.09	324.17	8.51	-111.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1OCCC2=CC=CC=C21	REAL300005273098	0	41	-2.0	-121.29	330.98	9.35	-111.94
CN(C(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1)C1=CC=CC=C1	REAL300005273099	0	47	-2.0	-137.57	373.24	10.69	-126.88
CC(SC1=CC=C(Cl)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273100	0	37	-2.0	-119.39	331.80	9.81	-109.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=C(F)C=C1	REAL300005273101	0	34	-2.0	-120.13	307.32	9.36	-110.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC2=C1CCCC2	REAL300005273102	0	37	-2.0	-121.95	302.87	9.31	-112.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300005273103	0	49	-2.0	-123.70	384.75	9.50	-114.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=CS1	REAL300005273104	0	36	-2.0	-122.81	315.51	9.49	-113.32
COC1=CC=C(Br)C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273105	0	38	-2.0	-130.79	342.22	9.27	-121.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Br)C=C1	REAL300005273106	0	34	-2.0	-121.90	313.87	9.91	-111.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCSC1=CC=C(F)C=C1	REAL300005273107	0	37	-2.0	-119.80	328.98	10.14	-109.66
CCC1=C(C)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273108	0	36	-2.0	-119.78	304.93	8.97	-110.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC=C1Cl	REAL300005273109	0	34	-2.0	-124.09	315.91	9.72	-114.37
CC1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273110	0	37	-2.0	-124.64	322.31	9.94	-114.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(C(F)(F)F)C=C1	REAL300005273111	0	37	-2.0	-122.04	331.83	10.31	-111.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC(=O)CC1=CC=CC=C1	REAL300005273112	0	43	-2.0	-128.18	363.48	7.94	-120.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1SCCC2=C1C=CS2	REAL300005273113	0	35	-2.0	-132.92	312.48	9.22	-123.70
CC(C)OCCS(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273114	0	44	-2.0	-128.48	376.12	2.95	-125.53
CCC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273115	0	42	-2.0	-124.24	340.58	10.56	-113.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC(C(F)F)=NC2=C1	REAL300005273116	0	36	-2.0	-134.69	318.36	7.43	-127.26
CC(C)C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273117	0	35	-2.0	-124.55	305.36	7.95	-116.60
CC(C)(C)C1=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273118	0	41	-2.0	-133.14	349.11	8.27	-124.87
CC(=O)N(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300005273119	0	46	-2.0	-116.71	373.96	9.98	-106.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C2=CC=CC=C2CCCC1=O	REAL300005273120	0	44	-2.0	-143.73	352.48	10.05	-133.68
CS(=O)(=O)CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=CC=CC=C21	REAL300005273121	0	42	-2.0	-139.19	366.09	7.53	-131.66
CC1(C)CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273122	0	46	-2.0	-127.09	355.04	11.06	-116.03
COC1=CC=CC=C1C1CC1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273123	0	41	-2.0	-133.89	338.65	9.48	-124.41
COC1=CC=C(CN2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300005273124	0	48	-2.0	-107.86	394.52	8.91	-98.95
CCN(CC)C(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273125	0	45	-2.0	-132.49	363.03	8.80	-123.69
CC1=NN(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300005273126	0	41	-2.0	-119.77	358.09	8.58	-111.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300005273127	0	43	-2.0	-140.19	362.37	11.34	-128.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2=CC=CC=C21	REAL300005273128	0	38	-2.0	-119.28	314.80	8.38	-110.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300005273129	0	39	-2.0	-121.91	343.35	8.28	-113.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC=C1OC(F)(F)F	REAL300005273130	0	40	-2.0	-128.99	348.58	9.44	-119.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(OC(F)(F)F)C=C1	REAL300005273131	0	40	-2.0	-118.42	349.78	9.38	-109.04
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1F	REAL300005273132	0	39	-2.0	-129.61	322.25	9.95	-119.66
CN1C=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300005273133	0	37	-2.0	-131.16	302.85	9.42	-121.74
COC1=CC=CC=C1C(C)=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273134	0	41	-2.0	-132.21	341.97	9.32	-122.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CO2)S1	REAL300005273135	0	33	-2.0	-119.37	301.43	6.86	-112.51
CCN(C)C(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273136	0	43	-2.0	-135.16	345.21	8.41	-126.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=CC=C2)C=C1	REAL300005273137	0	41	-2.0	-126.92	345.62	11.23	-115.69
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273138	0	45	-2.0	-127.61	380.39	8.68	-118.93
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)N2N=CC=C2N1	REAL300005273139	0	39	-2.0	-163.36	330.58	6.99	-156.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1	REAL300005273140	0	39	-2.0	-135.54	354.93	7.90	-127.64
CC(=O)C1=CSC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273141	0	32	-2.0	-122.89	287.72	7.20	-115.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300005273142	0	37	-2.0	-129.10	347.63	10.64	-118.46
CC1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(F)=C2)C=C1C	REAL300005273143	0	46	-2.0	-123.75	371.86	12.44	-111.31
COC1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(F)=C2)C=C1	REAL300005273144	0	44	-2.0	-123.28	362.99	10.54	-112.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F	REAL300005273145	0	40	-2.0	-120.33	339.95	11.31	-109.02
CC1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(F)=C2)C=C1	REAL300005273146	0	43	-2.0	-123.32	354.95	11.91	-111.41
CCC1=CC=C(C2=NC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300005273147	0	45	-2.0	-140.20	388.93	11.17	-129.03
CC(OC1=CC=C(Br)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273148	0	37	-2.0	-119.82	324.67	9.15	-110.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(Cl)=C1	REAL300005273149	0	33	-2.0	-124.85	299.11	9.29	-115.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=CC=C1	REAL300005273150	0	39	-2.0	-124.63	325.28	10.40	-114.23
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005273151	0	33	-2.0	-123.86	293.04	8.83	-115.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Br)C=CS1	REAL300005273152	0	27	-2.0	-112.38	260.99	7.38	-105.00
COC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273153	0	43	-2.0	-125.14	354.79	9.70	-115.44
CC1=CC=C(C)C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273154	0	39	-2.0	-128.92	321.08	9.97	-118.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300005273155	0	37	-2.0	-117.50	326.55	9.06	-108.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=CC=C2Cl)=C1	REAL300005273155	1	37	-2.0	-128.10	331.62	8.85	-119.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300005273156	0	36	-2.0	-128.00	310.73	9.41	-118.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300005273157	0	37	-2.0	-118.85	320.13	8.56	-110.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=C(F)C=C2)=C1	REAL300005273157	1	37	-2.0	-120.72	322.30	8.59	-112.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CNC2=CC=C1	REAL300005273158	0	34	-2.0	-129.34	280.42	7.70	-121.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300005273159	0	37	-2.0	-119.39	328.39	8.60	-110.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC([N+](=O)[O-])=C1	REAL300005273160	0	36	-2.0	-124.57	319.52	9.01	-115.56
CC(OC1=CC=CC=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273161	0	37	-2.0	-122.66	318.21	8.84	-113.82
CC1=CC(Br)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273162	0	33	-2.0	-112.62	295.79	9.00	-103.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300005273163	0	37	-2.0	-113.54	330.92	8.91	-104.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300005273163	1	37	-2.0	-121.98	333.15	9.01	-112.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Br)C=C1Cl	REAL300005273164	0	30	-2.0	-110.60	289.12	8.82	-101.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300005273165	0	40	-2.0	-127.38	357.09	9.89	-117.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC2=C1CCCC2	REAL300005273166	0	36	-2.0	-126.80	295.76	8.47	-118.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=CC(Br)=C1	REAL300005273167	0	30	-2.0	-119.70	279.79	8.35	-111.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(C(F)(F)F)C=C1	REAL300005273168	0	37	-2.0	-121.46	330.03	9.34	-112.12
CC1=CC=CC=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273169	0	39	-2.0	-124.18	320.55	10.11	-114.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300005273170	0	47	-2.0	-123.11	369.80	9.59	-113.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(F)=C1Cl	REAL300005273171	0	30	-2.0	-113.96	270.81	8.14	-105.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(OC(F)F)=C1	REAL300005273172	0	37	-2.0	-128.39	321.64	8.36	-120.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=C(F)C=C12	REAL300005273173	0	37	-2.0	-140.28	320.61	8.95	-131.33
COC1=CC=C(Cl)C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273174	0	38	-2.0	-131.09	337.66	9.17	-121.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1OC(F)F	REAL300005273175	0	37	-2.0	-127.30	320.44	8.42	-118.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC=C1Br	REAL300005273176	0	36	-2.0	-123.50	319.92	10.02	-113.48
CC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273177	0	35	-2.0	-124.73	299.80	8.17	-116.56
CCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273178	0	37	-2.0	-129.85	303.42	7.89	-121.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1Br	REAL300005273179	0	33	-2.0	-123.68	300.60	9.29	-114.39
CC1=C(Br)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273180	0	33	-2.0	-115.44	294.08	8.89	-106.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC(F)=CC=C12	REAL300005273181	0	37	-2.0	-130.90	320.53	8.96	-121.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Cl)C=C1Cl	REAL300005273182	0	36	-2.0	-119.18	334.28	10.53	-108.65
CCCCC1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273183	0	48	-2.0	-122.75	361.91	10.26	-112.49
CCCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005273184	0	51	-2.0	-126.20	416.97	11.17	-115.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC=C1	REAL300005273185	0	34	-2.0	-125.32	300.92	9.30	-116.02
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273186	0	35	-2.0	-123.25	301.84	8.99	-114.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300005273187	0	42	-2.0	-123.33	367.04	7.93	-115.40
COC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273188	0	40	-2.0	-124.11	333.28	8.89	-115.22
CC1=CC=CC(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273189	0	40	-2.0	-128.48	324.89	9.28	-119.20
CC(C)CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2C1=O	REAL300005273190	0	47	-2.0	-119.39	373.35	9.93	-109.46
CC1=C(C(C)C)C=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005273191	0	48	-2.0	-127.86	387.80	11.60	-116.26
CC1=CC=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005273192	0	39	-2.0	-125.87	331.67	9.82	-116.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC2=C1C1=C(C=CC=C1)C=C2	REAL300005273193	0	42	-2.0	-132.45	351.70	11.24	-121.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=C(Br)C=C1	REAL300005273194	0	34	-2.0	-120.37	322.21	9.92	-110.45
CCCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005273195	0	50	-2.0	-127.91	402.40	10.32	-117.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=NC2=CC=CC=C2S1	REAL300005273196	0	36	-2.0	-131.52	327.51	9.00	-122.52
CC1=CC=CC(C)=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273197	0	40	-2.0	-131.40	332.90	9.79	-121.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC(=O)C1=CC=CO1	REAL300005273198	0	37	-2.0	-126.15	323.09	5.24	-120.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21	REAL300005273199	0	46	-2.0	-126.58	384.02	9.36	-117.22
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273200	0	41	-2.0	-112.30	347.89	4.06	-108.24
COC1=CC=C(C=CC(=O)NC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273201	0	48	-2.0	-128.20	397.19	7.06	-121.14
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273202	0	47	-2.0	-130.38	392.91	11.54	-118.84
CCCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273203	0	48	-2.0	-126.30	395.11	10.25	-116.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(Br)=C1	REAL300005273204	0	36	-2.0	-120.89	325.08	10.23	-110.66
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=C1C(=O)N1CCCC1=N2	REAL300005273205	0	42	-2.0	-130.56	349.32	8.86	-121.70
COC1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300005273206	0	38	-2.0	-120.84	315.83	7.81	-113.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(Cl)C(Cl)=C1	REAL300005273207	0	39	-2.0	-118.64	357.20	11.34	-107.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300005273208	0	40	-2.0	-124.67	340.74	9.99	-114.68
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273209	0	46	-2.0	-132.07	381.53	11.01	-121.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300005273210	0	39	-2.0	-125.50	343.98	10.33	-115.17
CC1=CC=C(C2=NNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)O1	REAL300005273211	0	37	-2.0	-123.39	318.75	7.45	-115.94
CC1=CC(C)=NN1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273212	0	42	-2.0	-121.90	342.97	8.39	-113.51
CCOC1=CC=CC=C1C1=NNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273213	0	44	-2.0	-121.84	363.33	8.91	-112.93
CCOC1=CC=CC=C1C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300005273213	1	44	-2.0	-129.17	369.15	8.93	-120.24
CC(C)(C)N1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300005273214	0	46	-2.0	-133.11	358.36	9.91	-123.20
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C(C)(C)C	REAL300005273215	0	42	-2.0	-131.97	327.13	8.44	-123.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)N=CS1	REAL300005273216	0	26	-2.0	-119.79	252.93	5.45	-114.34
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(Br)=C1	REAL300005273217	0	30	-2.0	-115.21	278.84	7.97	-107.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300005273218	0	39	-2.0	-122.48	329.85	7.50	-114.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC(C2=NC=CC=N2)=NO1	REAL300005273219	0	39	-2.0	-127.58	345.39	5.51	-122.07
CCN1C=C(Br)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273220	0	34	-2.0	-118.23	299.69	8.60	-109.63
CC(C)N1C=C(Br)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273221	0	37	-2.0	-119.75	320.19	9.18	-110.57
CC1=NN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1Cl	REAL300005273222	0	36	-2.0	-127.29	321.28	7.71	-119.58
CCCS(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273224	0	35	-2.0	-135.41	306.87	4.51	-130.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(NC(=O)C2=CC=CO2)=CC=C1	REAL300005273225	0	41	-2.0	-146.13	348.06	7.71	-138.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2CC2)C=C1	REAL300005273226	0	41	-2.0	-125.59	334.96	9.51	-116.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC1=CC=CC=C1[N+](=O)[O-]	REAL300005273227	0	37	-2.0	-127.73	320.71	7.94	-119.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCOCC1=CC=CC=C1	REAL300005273228	0	40	-2.0	-123.35	337.81	8.91	-114.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(Cl)C=C1Cl	REAL300005273229	0	34	-2.0	-120.99	324.05	9.38	-111.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300005273230	0	32	-2.0	-121.88	280.28	8.33	-113.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC=C1Br	REAL300005273231	0	30	-2.0	-116.10	271.72	8.30	-107.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC2=CC=CC=C21	REAL300005273232	0	39	-2.0	-130.84	325.05	10.91	-119.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=CC=C1	REAL300005273233	0	37	-2.0	-125.20	316.75	6.58	-118.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Br)C=C1	REAL300005273234	0	30	-2.0	-120.49	278.33	8.30	-112.19
CC1=CC=C(C)C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273235	0	40	-2.0	-126.73	340.81	10.50	-116.23
CC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273236	0	42	-2.0	-128.24	333.15	9.99	-118.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300005273237	0	32	-2.0	-114.72	280.15	8.36	-106.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300005273238	0	41	-2.0	-125.53	347.18	10.61	-114.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300005273239	0	33	-2.0	-118.98	290.66	8.69	-110.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300005273240	0	33	-2.0	-122.49	290.80	8.66	-113.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300005273241	0	32	-2.0	-121.48	298.26	9.26	-112.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(I)C=C1	REAL300005273242	0	30	-2.0	-120.70	284.81	8.77	-111.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1	REAL300005273243	0	36	-2.0	-119.69	321.31	9.98	-109.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2C=C1	REAL300005273244	0	36	-2.0	-131.83	303.28	9.94	-121.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300005273245	0	44	-2.0	-136.53	351.89	10.14	-126.39
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273246	0	42	-2.0	-126.12	363.81	7.81	-118.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NC2=CC=CC=C2C(=O)N1	REAL300005273247	0	44	-2.0	-127.27	369.84	8.85	-118.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2CCCC2=C1	REAL300005273248	0	40	-2.0	-129.86	327.92	10.69	-119.17
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273249	0	47	-2.0	-129.07	390.95	7.05	-122.02
CC1=NOC(C)=C1S(=O)(=O)NC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273250	0	43	-2.0	-122.29	358.21	2.96	-119.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CC=C2O1	REAL300005273251	0	35	-2.0	-129.32	291.69	8.44	-120.88
CC1CC1C1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273252	0	43	-2.0	-123.32	356.63	10.79	-112.53
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300005273253	0	41	-2.0	-131.80	357.09	9.28	-122.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Cl)=CC=C2N1	REAL300005273254	0	34	-2.0	-113.95	304.43	8.95	-105.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1	REAL300005273255	0	44	-2.0	-131.68	363.94	9.69	-121.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NN=CC2=CC=C1	REAL300005273256	0	33	-2.0	-122.61	276.90	6.42	-116.19
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CC1=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=NN2C(C)=C1	REAL300005273260	0	38	-2.0	-139.27	318.63	7.79	-131.48
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CO2)S1	REAL300005273263	0	36	-2.0	-130.03	321.78	8.48	-121.55
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1NS(C)(=O)=O	REAL300005273264	0	41	-2.0	-144.04	348.00	5.25	-138.79
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC(C)=CC=C1	REAL300005273266	0	43	-2.0	-124.72	351.69	9.92	-114.80
CC(C)C1=CC=C(C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300005273267	0	45	-2.0	-127.15	377.42	11.54	-115.61
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC(C2=CC=CO2)=NO1	REAL300005273269	0	38	-2.0	-124.50	336.16	6.25	-118.25
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=C(C)C=C1	REAL300005273270	0	43	-2.0	-123.60	348.78	9.82	-113.78
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273271	0	44	-2.0	-139.94	372.20	5.97	-133.97
CCS(=O)(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273272	0	41	-2.0	-139.85	350.70	5.17	-134.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC([N+](=O)[O-])=C1	REAL300005273273	0	35	-2.0	-130.73	310.60	9.45	-121.28
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300005273274	0	37	-2.0	-123.22	303.11	9.19	-114.03
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005273275	0	36	-2.0	-115.82	307.54	8.40	-107.42
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273276	0	37	-2.0	-124.06	306.29	8.02	-116.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(F)=CC=C1F	REAL300005273277	0	33	-2.0	-126.14	294.20	8.89	-117.25
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005273278	0	33	-2.0	-123.97	297.08	8.92	-115.05
COC1=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300005273279	0	37	-2.0	-130.32	316.06	8.34	-121.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300005273280	0	36	-2.0	-126.26	329.22	10.00	-116.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CC=C2F)=C1	REAL300005273281	0	36	-2.0	-127.88	321.32	9.64	-118.24
CC(CC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273282	0	39	-2.0	-121.76	312.95	9.05	-112.71
CN1C=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273283	0	40	-2.0	-129.93	336.73	10.56	-119.37
COC1=CC=C2NC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005273284	0	41	-2.0	-145.97	343.66	8.17	-137.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOCC1=CC=CC=C1	REAL300005273285	0	43	-2.0	-125.29	359.31	9.68	-115.61
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2N1	REAL300005273286	0	40	-2.0	-128.00	333.73	9.32	-118.68
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005273287	0	37	-2.0	-117.93	305.34	7.68	-110.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2F)S1	REAL300005273288	0	37	-2.0	-123.25	330.71	10.69	-112.56
CCCCN1N=C(C)C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005273289	0	46	-2.0	-126.48	399.52	10.50	-115.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300005273290	0	37	-2.0	-118.61	344.96	10.73	-107.88
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273291	0	42	-2.0	-135.19	368.04	5.30	-129.89
CNS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC	REAL300005273292	0	42	-2.0	-138.21	353.64	3.73	-134.48
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273293	0	38	-2.0	-116.45	333.24	3.95	-112.50
CCNS(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273294	0	41	-2.0	-135.58	355.24	4.75	-130.83
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273295	0	44	-2.0	-128.84	368.77	5.35	-123.49
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273296	0	47	-2.0	-128.65	380.58	5.69	-122.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C=CC2=CC=CC=C21	REAL300005273297	0	40	-2.0	-126.09	336.59	10.78	-115.31
CCNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273298	0	41	-2.0	-128.93	349.58	4.71	-124.22
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273299	0	47	-2.0	-128.97	394.43	6.17	-122.80
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273300	0	37	-2.0	-118.23	336.59	9.59	-108.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300005273301	0	30	-2.0	-117.77	283.96	8.63	-109.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300005273302	0	44	-2.0	-122.98	355.43	9.94	-113.04
CC(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273303	0	37	-2.0	-137.58	313.15	6.73	-130.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CNC2=CC=CC=C12	REAL300005273304	0	43	-2.0	-125.98	357.18	10.43	-115.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(Br)=C1	REAL300005273305	0	30	-2.0	-123.29	273.38	8.28	-115.01
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273306	0	47	-2.0	-137.09	394.34	7.43	-129.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC=C1I	REAL300005273307	0	30	-2.0	-113.52	277.39	8.74	-104.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300005273308	0	41	-2.0	-129.81	341.16	10.52	-119.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC(Cl)=CC=C1Cl	REAL300005273309	0	34	-2.0	-122.13	332.68	10.24	-111.89
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300005273310	0	39	-2.0	-128.10	342.79	6.18	-121.92
COC1=CC(OC)=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1OC	REAL300005273311	0	46	-2.0	-124.65	375.92	7.06	-117.59
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300005273312	0	38	-2.0	-134.14	325.46	7.19	-126.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2F)C=C1	REAL300005273313	0	37	-2.0	-130.01	318.61	9.63	-120.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300005273314	0	37	-2.0	-127.97	322.19	9.73	-118.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2)C=C1	REAL300005273315	0	37	-2.0	-132.76	315.74	9.66	-123.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300005273316	0	42	-2.0	-125.92	363.97	5.84	-120.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOCCC1=CC=CC=C1	REAL300005273317	0	46	-2.0	-124.16	380.80	10.46	-113.70
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273318	0	38	-2.0	-124.86	337.63	4.67	-120.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC=CC=C2N1	REAL300005273319	0	34	-2.0	-117.93	300.92	9.01	-108.92
CC1=CC=C(C2=NOC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005273320	0	39	-2.0	-127.43	337.15	10.07	-117.36
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273321	0	44	-2.0	-124.22	364.30	4.76	-119.46
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273321	1	43	-3.0	-197.64	370.40	4.84	-192.80
CNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273322	0	35	-2.0	-123.67	318.64	2.86	-120.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273322	1	34	-3.0	-193.23	315.63	2.40	-190.83
CC(C)(C)C1=NOC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273323	0	46	-2.0	-122.50	378.57	7.58	-114.92
CC1=NOC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273324	0	37	-2.0	-121.67	316.85	5.97	-115.70
CCC1=NOC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273325	0	40	-2.0	-121.79	338.33	6.57	-115.22
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(CC2=CC=C(F)C=C2)=N1	REAL300005273326	0	42	-2.0	-113.81	365.42	10.09	-103.72
CCN(CC)C(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273327	0	51	-2.0	-126.24	379.00	8.86	-117.38
CC1=CC(NC(=O)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005273328	0	33	-2.0	-122.78	288.98	6.23	-116.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300005273329	0	34	-2.0	-111.77	317.63	9.52	-102.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300005273330	0	39	-2.0	-142.89	342.79	10.29	-132.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL300005273331	0	34	-2.0	-111.40	306.97	9.04	-102.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC(F)(F)F	REAL300005273332	0	27	-2.0	-114.40	265.18	6.87	-107.53
CC1=CC=C(C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)O1	REAL300005273333	0	36	-2.0	-130.88	326.75	8.60	-122.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Cl)S1	REAL300005273334	0	33	-2.0	-117.37	311.04	9.30	-108.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(CC2=CC=CC=C2)=N1	REAL300005273335	0	42	-2.0	-139.20	369.21	10.41	-128.79
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(CC2=CC=CC=C2)=N1	REAL300005273336	0	42	-2.0	-115.52	359.01	10.02	-105.50
CCOC1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300005273337	0	41	-2.0	-120.90	337.68	8.74	-112.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CC2=CC=CC=C2)=N1	REAL300005273338	0	39	-2.0	-125.90	342.38	10.12	-115.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300005273339	0	36	-2.0	-111.69	315.98	6.84	-104.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Br)C2=CC=CC=C2N1	REAL300005273340	0	34	-2.0	-116.96	304.59	9.06	-107.90
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=C1C(=O)CCC2	REAL300005273341	0	39	-2.0	-124.54	321.83	9.01	-115.53
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273342	0	37	-2.0	-121.11	326.18	9.79	-111.32
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273343	0	37	-2.0	-119.84	330.05	9.86	-109.98
CCCC1=NOC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273344	0	43	-2.0	-121.79	359.83	7.34	-114.45
COC1=CC=C2C(=C1)C=CN2CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273345	0	41	-2.0	-123.34	345.63	9.58	-113.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NC=C(C2=CC=CC=C2)O1	REAL300005273346	0	45	-2.0	-129.70	380.48	8.88	-120.82
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273347	0	47	-2.0	-125.05	389.06	8.81	-116.24
CCS(=O)(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273348	0	44	-2.0	-136.75	378.42	5.39	-131.36
CC(C)C1=CC=C(N2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=O)C=C1	REAL300005273349	0	50	-2.0	-127.33	393.19	10.88	-116.45
CC(C)CNC(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273350	0	51	-2.0	-133.10	395.10	8.32	-124.78
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273351	0	42	-2.0	-124.46	367.43	5.24	-119.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=CC=CC=C2C=C1	REAL300005273352	0	39	-2.0	-131.13	328.49	11.04	-120.09
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CCOC1=CC=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273354	0	41	-2.0	-134.74	343.35	9.60	-125.14
CC(C)COC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273355	0	43	-2.0	-132.55	350.56	9.45	-123.10
CC(OC1=CC=CC(Cl)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273356	0	37	-2.0	-122.89	318.91	8.82	-114.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1Br	REAL300005273357	0	34	-2.0	-127.86	311.42	9.82	-118.04
CC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273358	0	37	-2.0	-128.57	314.55	9.97	-118.60
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005273359	0	42	-2.0	-119.49	356.07	10.96	-108.53
CC(=O)NC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005273360	0	37	-2.0	-136.71	312.95	6.68	-130.03
CCS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273361	0	39	-2.0	-125.88	339.13	6.11	-119.77
CC1=CSC(C(O)(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(F)(F)F)=N1	REAL300005273362	0	39	-2.0	-120.40	347.49	5.69	-114.71
CC(C)CCSCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273363	0	39	-2.0	-123.14	327.48	9.25	-113.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=C(Cl)C=C1Cl	REAL300005273364	0	37	-2.0	-123.43	357.59	11.12	-112.31
CC(C)CCOC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273365	0	42	-2.0	-120.01	330.57	7.98	-112.03
CC(OCC1CCCCO1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273366	0	44	-2.0	-128.85	346.87	7.19	-121.66
CC(OCC1CCCO1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273367	0	41	-2.0	-127.52	326.97	6.28	-121.24
CC1=CC=C(CCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273368	0	45	-2.0	-123.86	368.18	11.85	-112.01
CC1=CC=C(C)C(OCCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273369	0	49	-2.0	-123.88	396.73	11.40	-112.48
CC1=CC=CC(OCCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273370	0	46	-2.0	-122.57	376.65	10.63	-111.94
CC(C)OC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273371	0	43	-2.0	-132.15	351.66	9.63	-122.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Br)C(C2CC2)=NN1	REAL300005273372	0	34	-2.0	-111.12	306.76	7.60	-103.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300005273373	0	38	-2.0	-125.51	321.44	8.90	-116.61
CN1C=C(C2CC2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005273374	0	37	-2.0	-127.37	307.09	7.57	-119.80
CC(CC1=CC=CC(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273375	0	39	-2.0	-119.00	322.90	9.15	-109.85
CC(CC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273376	0	39	-2.0	-122.06	326.49	9.97	-112.09
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273377	0	44	-2.0	-134.25	358.01	10.58	-123.67
CC1=CC=CC=C1N1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=C1CCC2	REAL300005273378	0	47	-2.0	-139.17	382.77	12.33	-126.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL300005273379	0	43	-2.0	-146.70	355.25	10.82	-135.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC2=CC(Cl)=CC=C2S1	REAL300005273380	0	38	-2.0	-127.98	352.23	9.52	-118.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)CC1CCCCC1	REAL300005273381	0	46	-2.0	-122.22	361.22	7.53	-114.69
CC(NC(=O)CC1CCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273382	0	49	-2.0	-126.70	377.71	7.52	-119.18
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])NC(=O)C1CCCC1	REAL300005273383	0	46	-2.0	-120.51	366.59	7.93	-112.58
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C1=CC=C(F)C=C1	REAL300005273384	0	41	-2.0	-119.34	335.80	10.38	-108.96
CC1=CC=CC(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)=C1	REAL300005273385	0	39	-2.0	-126.46	333.36	8.92	-117.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(F)=C1F	REAL300005273386	0	36	-2.0	-132.48	315.53	9.68	-122.80
CC1=NN(C)C(C)=C1C(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273387	0	42	-2.0	-124.08	329.31	7.51	-116.57
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CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCCC1	REAL300005273397	0	45	-2.0	-122.39	337.11	10.07	-112.32
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CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1C(C)C	REAL300005273404	0	48	-2.0	-138.88	388.72	12.49	-126.39
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CCN1C=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273406	0	43	-2.0	-138.95	358.41	11.51	-127.44
CCCNC(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273407	0	43	-2.0	-141.21	357.07	7.61	-133.60
C#CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273408	0	36	-2.0	-126.44	314.11	8.46	-117.98
COCCCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273409	0	44	-2.0	-133.92	364.13	7.82	-126.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300005273410	0	43	-2.0	-143.55	358.80	6.81	-136.74
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300005273415	0	49	-2.0	-127.04	395.93	13.51	-113.53
CCC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C)C=C1	REAL300005273416	0	43	-2.0	-126.02	349.05	11.17	-114.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC=CC1=CC=C(F)C=C1	REAL300005273417	0	37	-2.0	-120.33	319.84	10.19	-110.14
CCCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273418	0	35	-2.0	-118.11	303.46	7.14	-110.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC2=CC=CC=C2N1	REAL300005273419	0	41	-2.0	-122.57	350.47	6.50	-116.07
COCCOCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005273420	0	44	-2.0	-130.48	366.31	7.83	-122.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1CCCCC1	REAL300005273421	0	43	-2.0	-122.40	336.12	10.36	-112.04
CC(C)(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005273422	0	38	-2.0	-122.51	317.15	8.52	-113.99
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])S2	REAL300005273423	0	42	-2.0	-118.31	358.86	8.76	-109.55
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300005273424	0	39	-2.0	-130.11	326.71	11.28	-118.83
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273425	0	39	-2.0	-116.90	328.36	10.90	-106.00
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300005273426	0	41	-2.0	-123.79	330.12	10.31	-113.48
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300005273427	0	36	-2.0	-120.78	302.28	9.12	-111.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CS2)N=N1	REAL300005273428	0	36	-2.0	-122.96	327.91	7.81	-115.15
CC1=NN(C)C(C)=C1CC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273429	0	45	-2.0	-128.35	355.06	8.43	-119.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(C2=CC=CC=C2)CC1	REAL300005273430	0	46	-2.0	-124.81	349.31	10.72	-114.09
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273431	0	35	-2.0	-106.67	302.63	9.06	-97.61
COC1=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005273432	0	40	-2.0	-119.56	346.81	9.08	-110.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C(F)C=C1F	REAL300005273433	0	40	-2.0	-123.26	346.39	9.34	-113.92
CCC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273434	0	35	-2.0	-114.81	298.61	7.00	-107.81
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300005273436	0	36	-2.0	-127.53	313.59	8.36	-119.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=NC=CC=N2)S1	REAL300005273437	0	34	-2.0	-123.34	309.88	6.14	-117.20
CCC(C)C(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273438	0	49	-2.0	-133.38	370.28	8.20	-125.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC=CC=C21	REAL300005273439	0	36	-2.0	-128.34	301.06	10.01	-118.33
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273440	0	36	-2.0	-127.35	312.46	8.43	-118.92
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300005273441	0	35	-2.0	-115.22	299.90	8.89	-106.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300005273442	0	46	-2.0	-124.38	371.02	12.65	-111.73
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273443	0	39	-2.0	-118.45	311.09	9.09	-109.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC([N+](=O)[O-])=C1	REAL300005273444	0	36	-2.0	-121.76	321.37	9.98	-111.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300005273445	0	33	-2.0	-122.00	303.04	9.66	-112.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300005273446	0	33	-2.0	-115.12	309.44	9.73	-105.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Br)C=C1	REAL300005273447	0	33	-2.0	-120.56	303.67	9.41	-111.15
CC1=CC=C(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273448	0	37	-2.0	-124.63	330.70	6.38	-118.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1CCS(=O)(=O)C1	REAL300005273449	0	37	-2.0	-130.76	330.92	5.17	-125.59
CNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273450	0	38	-2.0	-129.18	328.54	3.85	-125.33
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005273451	0	37	-2.0	-127.16	318.11	8.16	-119.00
CC(C)CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273452	0	45	-2.0	-126.12	363.53	11.47	-114.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1	REAL300005273453	0	43	-2.0	-119.35	367.10	9.20	-110.15
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273454	0	46	-2.0	-128.45	378.68	10.88	-117.57
CC1=CC=NN1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273455	0	40	-2.0	-127.87	329.17	9.28	-118.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCS(=O)(=O)C1	REAL300005273456	0	36	-2.0	-117.92	304.62	4.43	-113.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2CCCC2=O)=C1	REAL300005273457	0	41	-2.0	-147.62	329.45	8.66	-138.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2OC1	REAL300005273458	0	36	-2.0	-125.76	298.81	7.25	-118.51
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273459	0	42	-2.0	-125.61	365.85	5.83	-119.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1	REAL300005273460	0	41	-2.0	-118.71	371.40	8.74	-109.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300005273461	0	40	-2.0	-127.51	337.82	9.24	-118.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300005273462	0	37	-2.0	-129.38	312.32	8.77	-120.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCCOC2=C1	REAL300005273463	0	36	-2.0	-127.96	301.55	6.84	-121.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCNC(=O)C1=CSC=C1	REAL300005273464	0	40	-2.0	-125.06	351.70	6.97	-118.09
CCOC1=CC=CC=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273465	0	43	-2.0	-131.94	353.95	9.87	-122.07
CC(C)(C)C1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273466	0	48	-2.0	-124.57	379.98	11.91	-112.66
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(F)=C1	REAL300005273467	0	34	-2.0	-119.16	288.83	7.14	-112.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300005273468	0	44	-2.0	-126.91	375.19	10.77	-116.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300005273469	0	42	-2.0	-128.96	361.00	5.52	-123.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(NC(=O)C2=CC=CS2)=CC=C1	REAL300005273470	0	41	-2.0	-142.72	355.97	8.70	-134.02
COC1=CC=C(N2C(C)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C)C=C1	REAL300005273471	0	48	-2.0	-127.96	385.89	10.92	-117.04
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])NC(=O)C1=CC=CC=C1	REAL300005273472	0	43	-2.0	-131.60	357.94	8.43	-123.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1NC(=O)C2=CC=CC=C2C1=O	REAL300005273473	0	42	-2.0	-132.10	358.97	6.69	-125.41
CC(C)C1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273474	0	43	-2.0	-126.72	351.50	10.26	-116.46
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273475	0	41	-2.0	-138.84	344.40	9.05	-129.79
CC(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273476	0	40	-2.0	-124.49	339.22	6.69	-117.80
CC(=O)NC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273477	0	40	-2.0	-128.48	338.76	7.66	-120.82
CC(C)(C)C1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273478	0	46	-2.0	-129.37	362.51	10.86	-118.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCS(=O)(=O)C1	REAL300005273479	0	33	-2.0	-118.46	279.50	2.80	-115.66
CC1=CC2=CC=CC=C2N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273480	0	40	-2.0	-131.63	334.62	10.68	-120.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300005273481	0	36	-2.0	-122.60	327.78	10.76	-111.84
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273482	0	45	-2.0	-128.07	365.05	11.43	-116.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21	REAL300005273483	0	41	-2.0	-138.39	357.07	8.20	-130.19
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273484	0	49	-2.0	-129.61	405.63	9.61	-120.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C(Cl)C=C1	REAL300005273485	0	40	-2.0	-121.34	350.48	9.72	-111.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=CC2=CC=CC=C21	REAL300005273486	0	46	-2.0	-127.59	378.79	11.53	-116.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C2NC(=O)CCC2=C1	REAL300005273487	0	48	-2.0	-124.04	393.59	8.37	-115.67
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=C1C	REAL300005273488	0	43	-2.0	-124.67	348.08	10.12	-114.55
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC1CCCC1	REAL300005273489	0	48	-2.0	-129.72	382.61	9.97	-119.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)CC1=CC=CC(F)=C1	REAL300005273490	0	40	-2.0	-121.18	347.78	7.33	-113.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CCCCCCC1=O	REAL300005273491	0	43	-2.0	-123.30	326.57	8.66	-114.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Br)=CC=C2N1	REAL300005273492	0	34	-2.0	-113.88	308.98	9.05	-104.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300005273493	0	41	-2.0	-133.28	358.52	10.02	-123.26
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1Cl	REAL300005273494	0	31	-2.0	-110.24	289.66	7.96	-102.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1CCCS1(=O)=O	REAL300005273495	0	38	-2.0	-142.17	325.84	4.13	-138.04
CCCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273496	0	44	-2.0	-125.49	365.35	10.32	-115.17
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273497	0	37	-2.0	-127.01	313.08	9.98	-117.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=CC=CC=C21	REAL300005273498	0	40	-2.0	-125.92	321.51	10.21	-115.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NC(C2=CC=CS2)=NO1	REAL300005273499	0	41	-2.0	-124.16	367.05	8.01	-116.15
CC1=NC(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=CS1	REAL300005273500	0	39	-2.0	-138.50	336.54	9.09	-129.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CS(=O)(=O)CCCC1=CC=CC=C1	REAL300005273501	0	45	-2.0	-135.29	388.27	8.30	-126.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CS(=O)(=O)C1CCCC1	REAL300005273502	0	39	-2.0	-134.04	327.79	5.69	-128.35
CC(C)OC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273503	0	43	-2.0	-130.68	350.47	9.69	-120.99
NC(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273504	0	34	-2.0	-140.68	292.16	4.51	-136.17
C=CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273505	0	38	-2.0	-125.36	321.23	8.50	-116.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)NCC1=CC=C(Cl)C=C1	REAL300005273506	0	42	-2.0	-120.53	374.05	6.48	-114.05
CC(C)CCC(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273507	0	42	-2.0	-120.85	341.92	6.34	-114.51
CC1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300005273508	0	48	-2.0	-115.18	354.66	10.45	-104.73
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273509	0	40	-2.0	-126.14	341.31	9.58	-116.56
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273510	0	37	-2.0	-116.03	335.07	9.36	-106.67
COC1=CC=C(CCCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273511	0	49	-2.0	-123.54	397.77	11.23	-112.31
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CSC=C2)O1	REAL300005273512	0	39	-2.0	-137.95	349.84	6.80	-131.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(OC2CCCC2)=C1	REAL300005273513	0	50	-2.0	-125.07	398.53	11.86	-113.21
CC(C)OC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273514	0	44	-2.0	-127.90	362.39	10.16	-117.74
CC(C)(C)C1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273515	0	51	-2.0	-124.96	401.48	12.72	-112.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC=CC=C21	REAL300005273516	0	37	-2.0	-120.43	305.97	9.76	-110.67
NS(=O)(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273517	0	38	-2.0	-128.95	336.62	3.74	-125.21
NC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300005273518	0	34	-2.0	-112.23	295.51	6.71	-105.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300005273519	0	36	-2.0	-127.13	328.67	9.93	-117.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300005273520	0	50	-2.0	-127.16	402.55	9.38	-117.78
CC(=O)NC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C(F)C=CC=C1F	REAL300005273521	0	43	-2.0	-138.80	369.17	8.73	-130.07
CC1=CC=CC=C1C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273522	0	39	-2.0	-126.53	341.24	10.25	-116.28
CC(C)C(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273523	0	45	-2.0	-119.88	354.54	10.30	-109.58
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCCOC2=C1	REAL300005273524	0	42	-2.0	-126.45	338.52	7.45	-119.00
CCC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273525	0	42	-2.0	-119.49	336.32	9.85	-109.64
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(CC(C)C)=N1	REAL300005273526	0	41	-2.0	-115.14	337.06	8.24	-106.90
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1CC1	REAL300005273527	0	44	-2.0	-127.81	349.33	10.71	-117.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2=CC=CC=C2)=N1	REAL300005273528	0	36	-2.0	-125.69	315.10	7.80	-117.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(=O)NCCCC1=CC=CC=C1	REAL300005273529	0	43	-2.0	-125.00	361.81	8.79	-116.21
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1OCC(C)C	REAL300005273530	0	47	-2.0	-121.77	394.14	9.94	-111.83
CCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273531	0	41	-2.0	-126.35	332.55	7.79	-118.56
CN(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273532	0	40	-2.0	-127.60	337.47	8.95	-118.65
CC1=CC=C(NC(=O)CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273533	0	44	-2.0	-132.55	381.68	9.13	-123.42
CC(C)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273534	0	43	-2.0	-128.61	353.29	11.23	-117.38
CC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005273535	0	40	-2.0	-128.09	332.78	9.71	-118.38
CCCC1=C(C)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273536	0	39	-2.0	-119.94	326.54	9.72	-110.22
CCOC1=C(Cl)C=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273537	0	45	-2.0	-124.10	393.64	10.13	-113.97
CCCOC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273538	0	44	-2.0	-121.41	374.04	9.27	-112.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Br)S1	REAL300005273539	0	31	-2.0	-122.43	304.44	9.10	-113.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2N1	REAL300005273540	0	34	-2.0	-120.09	287.75	8.44	-111.65
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273541	0	36	-2.0	-117.77	325.22	5.64	-112.13
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300005273542	0	48	-2.0	-127.01	391.52	10.07	-116.94
CC1=CC(NC(=O)CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005273543	0	40	-2.0	-128.65	356.50	7.65	-121.00
CCC1=C(C)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273544	0	36	-2.0	-119.44	303.87	8.93	-110.51
CCOC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)F	REAL300005273545	0	45	-2.0	-128.58	383.37	9.73	-118.85
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273546	0	44	-2.0	-124.89	380.05	8.34	-116.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300005273547	0	41	-2.0	-125.90	351.11	10.10	-115.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1	REAL300005273548	0	41	-2.0	-118.79	364.93	5.23	-113.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC(Cl)=C1	REAL300005273549	0	34	-2.0	-124.48	308.05	8.86	-115.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300005273550	0	44	-2.0	-128.92	353.56	10.05	-118.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300005273551	0	37	-2.0	-123.08	327.89	8.38	-114.70
CCCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273552	0	40	-2.0	-132.04	330.45	8.75	-123.29
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C=CC=CC1=O	REAL300005273561	0	36	-2.0	-141.26	307.58	7.86	-133.40
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CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273563	0	49	-2.0	-131.46	379.63	10.93	-120.53
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CC1=CC(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300005273592	0	43	-2.0	-120.34	369.19	10.28	-110.06
CC(C)(C)C1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273593	0	52	-2.0	-124.37	409.92	11.53	-112.84
CC(C)COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273594	0	43	-2.0	-125.64	349.93	9.41	-116.23
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CCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273596	0	40	-2.0	-125.31	329.82	8.72	-116.59
CCC(OC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273597	0	40	-2.0	-127.90	318.63	9.19	-118.71
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CCC1=CC=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273600	0	40	-2.0	-128.87	334.21	9.78	-119.09
CCOC1=CC=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300005273601	0	43	-2.0	-122.97	355.90	9.85	-113.12
CCC1=CC=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005273602	0	42	-2.0	-125.53	353.15	10.59	-114.94
CSC1=CC=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273603	0	34	-2.0	-123.45	291.05	8.70	-114.75
CC(C)C1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273604	0	43	-2.0	-130.15	349.91	10.30	-119.85
CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005273605	0	39	-2.0	-127.90	320.79	9.99	-117.91
CCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005273606	0	47	-2.0	-127.93	380.90	9.54	-118.39
CC1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005273607	0	40	-2.0	-125.95	340.80	10.50	-115.45
CSC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273608	0	36	-2.0	-127.40	320.64	9.20	-118.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300005273609	0	36	-2.0	-128.05	330.86	5.62	-122.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=C(F)C=C1	REAL300005273610	0	37	-2.0	-122.60	333.23	10.26	-112.34
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300005273611	0	40	-2.0	-118.78	344.11	9.66	-109.12
COC1=CC(OC)=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273612	0	42	-2.0	-121.75	345.46	7.11	-114.64
CC1=C2C(=CC=C1)SC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2Cl	REAL300005273613	0	36	-2.0	-123.71	319.09	10.03	-113.68
CC(NC(=O)OC(C)(C)C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273614	0	43	-2.0	-123.98	343.27	4.93	-119.05
CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273615	0	40	-2.0	-120.77	326.77	4.90	-115.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1C(F)(F)F	REAL300005273616	0	36	-2.0	-124.64	311.47	9.43	-115.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(Br)=C1	REAL300005273617	0	33	-2.0	-124.63	303.67	9.40	-115.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC2=CC=CC=C12	REAL300005273618	0	36	-2.0	-127.10	318.73	10.14	-116.96
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(=O)OC(C)(C)C	REAL300005273619	0	43	-2.0	-137.51	347.29	7.83	-129.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC=C1Br	REAL300005273620	0	30	-2.0	-112.36	288.50	8.82	-103.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=CC2=CC=C1	REAL300005273621	0	34	-2.0	-126.74	280.61	7.80	-118.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2OCOC2=C1	REAL300005273622	0	36	-2.0	-122.18	308.45	7.44	-114.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCCC2=C1	REAL300005273623	0	35	-2.0	-128.19	293.48	7.59	-120.60
COC1=C(OC)C=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273624	0	42	-2.0	-117.38	345.09	7.75	-109.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Br)C=C1	REAL300005273625	0	36	-2.0	-120.91	325.08	10.24	-110.67
CC(OC1=CC=CC=C1F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273626	0	37	-2.0	-125.16	308.41	8.38	-116.78
CC(C)SC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273627	0	40	-2.0	-126.15	335.03	10.08	-116.07
CCC(OC1CCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273628	0	46	-2.0	-124.09	351.00	9.24	-114.85
CC1=C(C2CC2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300005273629	0	37	-2.0	-122.15	312.94	9.62	-112.53
CS(=O)(=O)CC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273630	0	39	-2.0	-121.38	331.29	5.42	-115.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300005273631	0	40	-2.0	-133.01	340.66	9.02	-123.99
CC1=CC=C(F)C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273632	0	37	-2.0	-130.41	318.93	9.06	-121.35
CC1=NN(C)C(C)=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273633	0	40	-2.0	-127.30	339.93	7.31	-119.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CSCC1=CC=CO1	REAL300005273634	0	35	-2.0	-126.11	320.95	8.74	-117.37
CSC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300005273635	0	34	-2.0	-112.71	328.84	9.72	-102.99
COC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005273636	0	41	-2.0	-127.12	340.87	8.38	-118.74
CCC(CC)N1N=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273637	0	42	-2.0	-115.95	331.67	8.47	-107.48
CC(C)COC1=CC=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273638	0	47	-2.0	-129.34	384.26	10.06	-119.28
CN(C)S(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300005273639	0	38	-2.0	-121.41	331.84	3.80	-117.61
CSCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273640	0	37	-2.0	-130.24	323.15	9.56	-120.68
CC1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300005273641	0	35	-2.0	-115.73	312.07	7.34	-108.39
CC1=NN(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005273642	0	40	-2.0	-142.42	337.33	9.45	-132.97
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273643	0	43	-2.0	-110.87	344.16	5.60	-105.27
COC1=CC=CC(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273644	0	40	-2.0	-128.05	325.36	8.33	-119.72
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273645	0	50	-2.0	-128.33	380.91	8.95	-119.38
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273646	0	35	-2.0	-115.84	314.29	9.29	-106.55
CCOC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273647	0	40	-2.0	-126.42	328.15	8.96	-117.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Br)C=C1F	REAL300005273648	0	36	-2.0	-119.70	330.54	10.27	-109.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300005273649	0	46	-2.0	-132.39	375.50	8.03	-124.36
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005273650	0	40	-2.0	-121.77	350.86	10.96	-110.81
CS(=O)(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273651	0	35	-2.0	-135.18	307.51	4.15	-131.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2COCC2=C1	REAL300005273652	0	35	-2.0	-125.84	288.08	6.97	-118.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=NN=C2)C=C1	REAL300005273653	0	36	-2.0	-122.49	307.83	10.64	-111.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300005273654	0	37	-2.0	-117.69	340.94	9.00	-108.69
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C(Cl)C=CC=C1Cl	REAL300005273655	0	36	-2.0	-123.93	315.41	9.69	-114.24
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273656	0	40	-2.0	-119.58	350.34	11.23	-108.35
CN1C=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273657	0	43	-2.0	-135.04	358.13	11.37	-123.67
CC(C)(C)OC(=O)N1CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273658	0	48	-2.0	-132.04	391.29	7.45	-124.59
CCC(OC1=CC=CC=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273659	0	40	-2.0	-122.03	330.23	9.29	-112.74
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005273660	0	37	-2.0	-124.87	326.15	8.53	-116.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C2CCCCC2=C1	REAL300005273661	0	44	-2.0	-128.13	354.03	10.82	-117.31
CC(CSC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273662	0	40	-2.0	-115.74	340.14	9.68	-106.06
CCC(CC1=CC=CC=C1Br)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273663	0	42	-2.0	-126.14	351.53	10.80	-115.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300005273664	0	39	-2.0	-123.45	344.09	8.77	-114.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300005273665	0	39	-2.0	-146.99	342.21	9.55	-137.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC12CCCC1=CC=CC=C12	REAL300005273666	0	44	-2.0	-131.30	341.09	11.82	-119.48
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273667	0	40	-2.0	-118.20	348.81	11.22	-106.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300005273668	0	40	-2.0	-140.28	356.80	9.85	-130.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NN(C2=CC=CC=C2)C=C1	REAL300005273669	0	40	-2.0	-144.16	340.42	9.94	-134.22
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])S(=O)(=O)C1CCOCC1	REAL300005273670	0	43	-2.0	-131.23	347.37	3.75	-127.48
CN1C=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273671	0	41	-2.0	-133.68	347.93	11.07	-122.61
CC(C)(C)OC(=O)NC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCC1	REAL300005273672	0	50	-2.0	-120.80	391.73	7.71	-113.09
CC1=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300005273673	0	39	-2.0	-120.61	343.28	10.78	-109.83
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300005273674	0	39	-2.0	-130.20	329.98	10.25	-119.95
CC1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005273675	0	46	-2.0	-124.04	372.14	10.39	-113.65
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273676	0	49	-2.0	-119.91	382.06	8.45	-111.46
CC1=CC=C2NC=C(CCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005273677	0	43	-2.0	-127.05	357.07	10.33	-116.72
COC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273678	0	44	-2.0	-124.52	354.59	8.25	-116.27
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC(C)=CC=C1C	REAL300005273679	0	46	-2.0	-124.91	367.77	10.75	-114.16
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300005273680	0	41	-2.0	-129.18	351.72	9.60	-119.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CSC2=CC=CC=C12	REAL300005273681	0	42	-2.0	-124.24	361.62	11.72	-112.52
COC1=CC=C(Br)C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273682	0	37	-2.0	-123.78	329.97	8.59	-115.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=C(Cl)SC(Cl)=C1	REAL300005273683	0	36	-2.0	-120.10	347.68	10.50	-109.60
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273684	0	41	-2.0	-124.62	350.63	5.26	-119.36
CC(C)(C)OC(=O)NCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273685	0	46	-2.0	-122.45	370.39	6.37	-116.08
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273686	0	50	-2.0	-125.56	404.92	8.13	-117.43
COC1=CC=C(Cl)C=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273687	0	37	-2.0	-127.73	327.43	8.65	-119.08
CCCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273688	0	42	-2.0	-127.64	337.86	10.69	-116.95
CC1=CC=C(C2=NN(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300005273689	0	41	-2.0	-126.56	355.46	8.45	-118.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL300005273690	0	38	-2.0	-122.07	350.79	8.29	-113.78
CC(C)(C)OC(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273691	0	50	-2.0	-128.89	386.49	8.91	-119.98
CC(=O)C1=C(C)OC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273692	0	41	-2.0	-118.56	348.50	9.12	-109.44
CCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005273693	0	40	-2.0	-130.06	328.63	10.27	-119.79
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC(F)(F)F	REAL300005273694	0	40	-2.0	-128.02	334.01	9.42	-118.60
CN1C=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273695	0	33	-2.0	-117.97	287.39	7.86	-110.11
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1OC(C)C2	REAL300005273696	0	42	-2.0	-132.26	344.76	7.75	-124.51
CN1C=C(Cl)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273697	0	31	-2.0	-116.93	274.27	7.66	-109.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300005273698	0	42	-2.0	-128.16	360.86	12.85	-115.31
CC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005273699	0	39	-2.0	-121.54	339.25	10.71	-110.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=C(C(F)(F)F)C=C1	REAL300005273700	0	40	-2.0	-122.74	349.03	11.14	-111.60
CC(C)C1CCC(C)CC1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273701	0	52	-2.0	-129.52	384.41	10.53	-118.99
CCC(C)C1=CC=CC=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273702	0	46	-2.0	-131.24	368.36	10.95	-120.29
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005273703	0	36	-2.0	-123.89	308.27	7.78	-116.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CSC2=CC=CC=C21	REAL300005273704	0	35	-2.0	-117.25	299.68	9.33	-107.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300005273705	0	39	-2.0	-124.76	351.00	9.27	-115.49
CCC1=CC=C(C(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273706	0	45	-2.0	-124.73	360.23	11.40	-113.33
CCC(OC1=CC=CC=C1C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273707	0	43	-2.0	-127.14	338.46	9.77	-117.37
CSCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005273708	0	37	-2.0	-122.08	323.49	9.58	-112.50
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273709	0	49	-2.0	-120.20	373.37	6.50	-113.70
CC(C)(C)OC(=O)N1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273710	0	47	-2.0	-122.40	377.43	8.19	-114.21
CCC1=NOC(CC)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273711	0	41	-2.0	-117.56	341.03	9.02	-108.54
COC1=CC=CC(OC)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273712	0	41	-2.0	-135.94	338.70	7.56	-128.38
CCCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1F	REAL300005273713	0	45	-2.0	-145.65	377.97	11.25	-134.40
CC(C)C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1F	REAL300005273714	0	45	-2.0	-143.68	381.72	10.98	-132.70
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273715	0	47	-2.0	-119.89	388.02	7.28	-112.61
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005273716	0	36	-2.0	-120.38	312.61	9.56	-110.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300005273717	0	40	-2.0	-123.19	345.10	11.28	-111.91
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273718	0	40	-2.0	-115.37	347.43	9.88	-105.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1	REAL300005273719	0	40	-2.0	-139.73	346.86	10.00	-129.73
COC1=CC=C(C(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273720	0	43	-2.0	-122.61	346.70	9.22	-113.39
COC1=CC=C(CC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273721	0	43	-2.0	-127.29	349.58	9.20	-118.09
CC(C)(C)OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273722	0	43	-2.0	-126.72	337.43	8.82	-117.90
CCCC(O)(CCC)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273723	0	45	-2.0	-123.32	343.56	7.28	-116.04
COC1=CC=CC(C(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273724	0	43	-2.0	-127.99	346.86	9.27	-118.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2C=CN=N2)=C1	REAL300005273725	0	36	-2.0	-133.36	309.43	7.58	-125.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCSCC1	REAL300005273726	0	37	-2.0	-120.04	302.08	8.65	-111.39
CC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273727	0	39	-2.0	-123.95	337.39	10.26	-113.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(O)C1=CC=CC(F)=C1	REAL300005273728	0	37	-2.0	-121.71	317.17	7.00	-114.71
CCC(OC1=CC=CC(C)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273729	0	43	-2.0	-128.69	340.46	9.88	-118.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CN=N2)C=C1	REAL300005273730	0	36	-2.0	-127.84	311.01	7.57	-120.27
CS(=O)(=O)C1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273731	0	40	-2.0	-130.69	352.00	5.86	-124.83
CN(C)S(=O)(=O)C1=CNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273732	0	39	-2.0	-118.35	337.39	4.30	-114.05
CC(OC1=CC=C2CCCC2=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273733	0	44	-2.0	-127.74	349.39	10.45	-117.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300005273734	0	47	-2.0	-136.71	360.91	10.57	-126.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300005273735	0	34	-2.0	-113.05	319.48	9.38	-103.67
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)(C)C	REAL300005273736	0	42	-2.0	-123.53	325.93	7.63	-115.90
CC(SC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273737	0	37	-2.0	-127.08	313.99	9.60	-117.48
CNC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273738	0	37	-2.0	-124.53	309.75	7.33	-117.20
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273739	0	50	-2.0	-124.94	404.46	9.03	-115.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CCCS1(=O)=O	REAL300005273740	0	35	-2.0	-131.09	305.04	3.57	-127.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC(Br)=CS1	REAL300005273741	0	31	-2.0	-122.51	304.81	9.00	-113.51
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(S(=O)(=O)N(C)C)O1	REAL300005273742	0	41	-2.0	-116.78	350.15	4.62	-112.16
CC1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300005273743	0	33	-2.0	-110.97	300.27	6.71	-104.26
CC(C)(C)OC(=O)N1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273744	0	53	-2.0	-120.93	405.14	9.71	-111.22
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273745	0	41	-2.0	-116.96	344.47	9.62	-107.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C([N+](=O)[O-])C=N1	REAL300005273746	0	32	-2.0	-115.34	292.43	6.92	-108.42
CC1=NN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=C1	REAL300005273747	0	40	-2.0	-130.53	337.87	9.52	-121.01
COC1=C(OC)C(OC)=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273748	0	46	-2.0	-118.87	381.99	7.77	-111.10
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1	REAL300005273750	0	39	-2.0	-132.40	341.85	9.34	-123.06
COC1=CC=C2OCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273751	0	40	-2.0	-126.17	328.32	6.53	-119.64
COC1=CC=C(N2N=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C)C=C1	REAL300005273752	0	43	-2.0	-126.56	356.24	7.91	-118.65
CC1=CC=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(Cl)C2=C1	REAL300005273753	0	37	-2.0	-117.82	322.50	9.68	-108.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Br)=CS1	REAL300005273754	0	27	-2.0	-111.90	266.64	7.41	-104.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300005273755	0	39	-2.0	-125.78	342.64	10.81	-114.97
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])NC(=O)OC(C)(C)C	REAL300005273756	0	46	-2.0	-127.17	367.96	6.90	-120.27
CC(C)(C)OC(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005273757	0	47	-2.0	-122.67	368.19	7.91	-114.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=C(Br)N1	REAL300005273758	0	28	-2.0	-107.39	279.46	7.29	-100.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NN(C2=CC=CC=C2)N=C1	REAL300005273759	0	39	-2.0	-137.17	336.06	8.59	-128.58
CC(C)(C)OC(=O)N(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1CC1	REAL300005273760	0	50	-2.0	-125.02	401.25	10.39	-114.63
CC(C)N(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(=O)OC(C)(C)C	REAL300005273761	0	52	-2.0	-135.35	403.84	9.80	-125.55
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273762	0	44	-2.0	-120.56	371.33	6.37	-114.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300005273763	0	37	-2.0	-127.40	338.88	11.08	-116.32
CC1=CC=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273764	0	37	-2.0	-128.31	310.12	9.82	-118.49
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273765	0	46	-2.0	-134.06	379.38	7.88	-126.18
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273766	0	39	-2.0	-123.88	329.98	8.65	-115.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2CCCC2=C1	REAL300005273767	0	37	-2.0	-131.45	297.63	9.57	-121.88
CC(C)OCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273768	0	43	-2.0	-127.51	349.16	9.14	-118.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC1=CC=CS1	REAL300005273769	0	34	-2.0	-123.98	317.05	9.28	-114.70
COC1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005273770	0	40	-2.0	-131.09	327.53	9.19	-121.90
CCOC1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273771	0	41	-2.0	-123.56	352.25	9.51	-114.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1	REAL300005273772	0	37	-2.0	-118.18	351.21	11.36	-106.82
COC1=CC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1OC	REAL300005273773	0	44	-2.0	-133.62	362.83	8.85	-124.77
CC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273774	0	44	-2.0	-129.99	345.43	10.03	-119.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCCCOC2=C1	REAL300005273775	0	39	-2.0	-129.01	314.87	7.62	-121.39
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005273776	0	34	-2.0	-122.25	292.70	7.06	-115.19
COC1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273777	0	38	-2.0	-122.71	330.38	8.56	-114.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2SCCCS2)C=C1	REAL300005273778	0	42	-2.0	-130.41	362.24	11.28	-119.13
CC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300005273779	0	37	-2.0	-126.18	333.12	9.65	-116.53
CCC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273780	0	40	-2.0	-128.52	336.03	10.75	-117.77
CC(C)(C)OC(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273781	0	50	-2.0	-121.22	387.30	8.87	-112.35
CCN1C(C)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005273782	0	40	-2.0	-129.34	319.77	9.18	-120.16
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273783	0	47	-2.0	-141.88	373.28	7.89	-133.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(Cl)C2=CC=CC=C12	REAL300005273784	0	40	-2.0	-125.40	350.73	11.05	-114.35
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273785	0	47	-2.0	-132.12	379.23	8.06	-124.06
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005273786	0	39	-2.0	-118.67	337.91	9.52	-109.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1OCC(F)(F)F	REAL300005273787	0	41	-2.0	-135.94	361.97	9.47	-126.47
CCCCCS(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273788	0	41	-2.0	-135.38	349.87	6.07	-129.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Br)=CC2=CC=CC=C21	REAL300005273789	0	36	-2.0	-124.65	322.26	10.62	-114.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCOC2)S1	REAL300005273790	0	35	-2.0	-118.07	297.97	7.08	-110.99
COC1=CC=CC=C1CC(C)=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273791	0	44	-2.0	-128.41	359.14	10.20	-118.21
CC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C3=C2CCCC3)C=C1	REAL300005273792	0	50	-2.0	-140.46	393.81	12.48	-127.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=CC2=CC=CC=C21	REAL300005273793	0	43	-2.0	-126.74	344.87	11.97	-114.77
CC1=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300005273794	0	37	-2.0	-120.33	307.40	9.19	-111.14
CC1=CC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1Cl	REAL300005273795	0	40	-2.0	-122.97	345.46	10.00	-112.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300005273796	0	38	-2.0	-119.04	332.00	10.29	-108.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=C2)O1	REAL300005273797	0	38	-2.0	-123.02	330.99	10.06	-112.96
COC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1F	REAL300005273798	0	34	-2.0	-125.27	286.25	7.01	-118.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2SC=CC2=C1	REAL300005273799	0	33	-2.0	-127.93	294.01	9.04	-118.89
CCC(SC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273800	0	40	-2.0	-124.95	325.10	9.95	-115.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL300005273801	0	40	-2.0	-124.09	333.40	11.36	-112.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCS(=O)(=O)CC1	REAL300005273802	0	36	-2.0	-121.12	303.59	4.22	-116.90
CC1=CC(F)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005273803	0	33	-2.0	-118.66	286.10	8.54	-110.12
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273804	0	45	-2.0	-134.98	372.10	6.97	-128.01
CC(OC1CCCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273805	0	46	-2.0	-125.67	345.80	8.98	-116.69
CC(C)N1C=NN=C1SCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273806	0	39	-2.0	-130.02	341.08	9.84	-120.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CN=C2C=C1	REAL300005273807	0	35	-2.0	-130.85	293.14	8.01	-122.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CN=CC=N2)CC1	REAL300005273808	0	43	-2.0	-121.64	338.77	5.83	-115.81
CC(C)C(=O)NC1=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273809	0	42	-2.0	-131.35	361.99	7.37	-123.98
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273809	1	41	-3.0	-211.36	359.77	6.25	-205.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300005273810	0	43	-2.0	-134.17	363.71	9.22	-124.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCOCC2)C=C1	REAL300005273811	0	43	-2.0	-128.05	341.45	6.56	-121.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300005273812	0	50	-2.0	-141.29	385.57	12.60	-128.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC2=NC=CN12	REAL300005273813	0	33	-2.0	-118.05	299.33	8.42	-109.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=NC2=CC(F)=C1	REAL300005273814	0	33	-2.0	-114.05	281.42	7.54	-106.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300005273815	0	42	-2.0	-137.07	375.64	10.48	-126.59
COC(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273816	0	38	-2.0	-141.01	318.39	5.87	-135.14
N#CCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273817	0	34	-2.0	-134.39	299.27	8.85	-125.54
NS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1CCC2	REAL300005273818	0	42	-2.0	-141.00	355.44	4.51	-136.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300005273819	0	39	-2.0	-128.76	336.95	9.87	-118.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2CCCC2)C=C1	REAL300005273820	0	40	-2.0	-129.44	323.08	8.99	-120.45
CC1=NC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NN1	REAL300005273821	0	39	-2.0	-132.17	334.72	8.45	-123.72
COCCCS(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273822	0	41	-2.0	-131.76	355.49	2.04	-129.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC(C2CCCC2)=NO1	REAL300005273823	0	44	-2.0	-119.65	360.70	7.49	-112.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=CC=CC=C21	REAL300005273824	0	33	-2.0	-128.23	284.24	7.18	-121.05
CNS(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273825	0	38	-2.0	-135.52	334.19	3.89	-131.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300005273826	0	40	-2.0	-118.82	355.41	7.56	-111.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300005273827	0	33	-2.0	-125.88	302.90	8.60	-117.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC=CN=C2C=C1	REAL300005273828	0	34	-2.0	-133.32	293.19	6.11	-127.21
COC1=CC=C(O)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273829	0	35	-2.0	-122.17	293.21	4.91	-117.26
NC(=O)NC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273830	0	36	-2.0	-142.16	301.07	3.77	-138.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300005273831	0	36	-2.0	-122.41	307.80	4.91	-117.50
CS(=O)CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273832	0	38	-2.0	-127.69	333.25	6.96	-120.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CNN=C2C=C1	REAL300005273833	0	33	-2.0	-132.02	283.47	6.38	-125.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC2=C1CCCCC2	REAL300005273834	0	39	-2.0	-126.17	308.38	8.94	-117.23
COC1=NC(C)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273835	0	36	-2.0	-122.89	299.01	5.83	-117.06
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273836	0	49	-2.0	-123.93	397.94	8.73	-115.20
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273837	0	49	-2.0	-133.48	387.88	10.07	-123.41
CC(C)CC(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005273838	0	46	-2.0	-128.07	371.62	8.85	-119.22
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1N1CCNC1=O	REAL300005273839	0	44	-2.0	-136.54	366.08	6.08	-130.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CCCO2)S1	REAL300005273840	0	37	-2.0	-121.28	317.77	5.88	-115.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSCC(F)(F)F	REAL300005273841	0	30	-2.0	-119.12	285.83	7.60	-111.52
COCC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273842	0	36	-2.0	-116.03	310.78	5.28	-110.75
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1CC(C)C	REAL300005273843	0	42	-2.0	-121.23	334.53	8.25	-112.98
CS(=O)(=O)NCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005273844	0	38	-2.0	-132.10	340.03	3.64	-128.46
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2C=NN(C)C2=N1	REAL300005273845	0	38	-2.0	-114.22	314.33	7.34	-106.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC2=CC=CC=C2C=C1	REAL300005273846	0	45	-2.0	-125.26	371.39	12.63	-112.63
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CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300005273848	0	42	-2.0	-121.54	354.65	11.20	-110.34
CC(C)NC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273849	0	43	-2.0	-125.32	355.60	7.63	-117.69
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)C=C1Br	REAL300005273850	0	36	-2.0	-114.62	315.38	9.55	-105.07
CC1=CSC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(=O)N12	REAL300005273851	0	35	-2.0	-128.42	297.42	8.34	-120.08
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CC(C)CN1N=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300005273855	0	44	-2.0	-126.35	358.17	9.13	-117.22
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CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273858	0	39	-2.0	-119.14	338.47	9.13	-110.01
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273859	0	39	-2.0	-118.20	331.93	8.34	-109.86
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CNC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005273861	0	36	-2.0	-121.04	305.94	4.11	-116.93
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CN(C)C(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273863	0	40	-2.0	-138.65	321.32	7.36	-131.29
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CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C2C(C)=C1	REAL300005273866	0	48	-2.0	-128.31	387.01	11.63	-116.68
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300005273869	0	41	-2.0	-125.01	363.83	11.09	-113.92
COC1=CC=C(C2=CN=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005273870	0	43	-2.0	-128.47	355.78	8.52	-119.95
CC1=CC=CC(C2=CN=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300005273871	0	42	-2.0	-129.50	347.75	9.88	-119.62
CC1=CC(Br)=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005273872	0	36	-2.0	-122.02	329.24	10.34	-111.68
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CC1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)O1	REAL300005273874	0	37	-2.0	-128.27	328.68	9.61	-118.66
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CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)S1	REAL300005273876	0	33	-2.0	-114.28	301.54	8.13	-106.15
CC1=CC=C(CC2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300005273877	0	42	-2.0	-126.78	363.87	10.79	-115.99
CCC(C)OC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300005273878	0	42	-2.0	-124.14	342.24	7.07	-117.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300005273879	0	39	-2.0	-129.90	348.88	10.20	-119.70
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCCC1	REAL300005273880	0	43	-2.0	-123.15	337.28	8.77	-114.38
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CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(C)C=C1	REAL300005273882	0	43	-2.0	-134.31	356.81	10.77	-123.54
COC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C)C=C1	REAL300005273883	0	44	-2.0	-133.54	364.88	9.40	-124.14
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)C	REAL300005273884	0	39	-2.0	-122.15	314.43	7.38	-114.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC=C1Br	REAL300005273885	0	29	-2.0	-108.50	263.26	6.46	-102.04
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CC=CC=C2C=C1	REAL300005273887	0	35	-2.0	-130.56	297.68	9.33	-121.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300005273888	0	42	-2.0	-128.57	365.38	10.85	-117.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300005273889	0	43	-2.0	-124.68	361.24	8.39	-116.29
COC1=CC=C(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273890	0	41	-2.0	-123.31	346.15	5.89	-117.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(=O)NC2=CC=CC=C21	REAL300005273891	0	36	-2.0	-119.87	309.73	6.79	-113.08
COC1=CC=C(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005273892	0	45	-2.0	-123.50	375.37	5.80	-117.70
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273893	0	49	-2.0	-124.31	392.86	8.90	-115.41
CCOC1=CC=CC=C1C(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273894	0	44	-2.0	-131.22	365.90	8.03	-123.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=CS1	REAL300005273895	0	34	-2.0	-123.81	308.87	5.55	-118.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=CC(F)=C1	REAL300005273896	0	37	-2.0	-121.79	323.16	6.65	-115.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=CC(Br)=C1	REAL300005273897	0	37	-2.0	-121.58	338.05	7.20	-114.38
COC1=CC=CC(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273898	0	41	-2.0	-125.79	346.23	5.88	-119.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)C1=CC=C2OCOC2=C1	REAL300005273899	0	40	-2.0	-121.70	342.74	5.22	-116.48
CCOC1=CC=C(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005273900	0	44	-2.0	-123.13	368.01	6.82	-116.31
CC1=CC(C(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005273901	0	42	-2.0	-117.42	360.95	7.76	-109.66
CC1=CC(Br)=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273902	0	36	-2.0	-122.46	320.98	9.92	-112.54
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=N1	REAL300005273903	0	43	-2.0	-133.24	355.72	9.36	-123.88
CC1=CN(CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NO2)N=C1	REAL300005273904	0	39	-2.0	-127.36	340.24	8.30	-119.06
CC1(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)NC(=O)NC1=O	REAL300005273905	0	42	-2.0	-125.77	351.44	4.43	-121.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300005273906	0	40	-2.0	-132.80	341.62	8.90	-123.90
CC(=O)NC1=CC=C(F)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273907	0	37	-2.0	-121.23	311.53	6.66	-114.57
CC(C)(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273908	0	45	-2.0	-126.81	351.32	10.95	-115.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CO2)NC1=O	REAL300005273909	0	37	-2.0	-140.61	317.85	6.65	-133.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C2CC3=CC=CC=C3C2=C1	REAL300005273910	0	50	-2.0	-126.56	409.49	14.48	-112.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(N2CCOCC2)C=C1	REAL300005273911	0	47	-2.0	-129.25	376.86	8.13	-121.12
CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C2C=C1	REAL300005273912	0	45	-2.0	-126.99	366.55	10.80	-116.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC(Br)=C1	REAL300005273913	0	34	-2.0	-121.12	322.22	9.91	-111.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=CC2=CC=CN=C21	REAL300005273914	0	35	-2.0	-131.46	296.74	8.53	-122.93
CC1=CC=C(OCC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300005273915	0	46	-2.0	-132.50	385.37	9.82	-122.68
CC(=CC1=CC=CC=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273916	0	37	-2.0	-129.77	316.07	10.00	-119.77
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300005273917	0	34	-2.0	-120.99	297.57	7.52	-113.47
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273918	0	37	-2.0	-124.33	315.46	10.01	-114.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1C1CCCC1	REAL300005273919	0	40	-2.0	-115.90	316.23	8.33	-107.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=CNC2=N1	REAL300005273920	0	33	-2.0	-127.90	283.35	8.28	-119.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2)C=N1	REAL300005273921	0	36	-2.0	-132.23	311.57	10.46	-121.77
CC1=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2C=C1	REAL300005273922	0	38	-2.0	-135.96	311.93	9.06	-126.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC=C(F)C=C2C1	REAL300005273923	0	38	-2.0	-110.64	308.75	8.22	-102.42
CC1=CC(Cl)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273924	0	33	-2.0	-125.22	290.22	8.83	-116.39
CC1=NC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005273925	0	38	-2.0	-126.80	331.53	8.12	-118.68
CNS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300005273926	0	38	-2.0	-122.16	331.84	2.74	-119.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2CCCO2)=N1	REAL300005273927	0	37	-2.0	-122.42	321.22	6.93	-115.49
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1C1=CC=CC=N1	REAL300005273928	0	42	-2.0	-132.63	342.93	10.79	-121.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CSCCS1	REAL300005273929	0	35	-2.0	-113.13	304.34	8.63	-104.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CCC(F)(F)F)C=C1	REAL300005273930	0	39	-2.0	-126.48	334.49	10.29	-116.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C2NC=CC2=C1	REAL300005273931	0	40	-2.0	-129.16	335.15	9.66	-119.50
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NC2=CC=CC=C21	REAL300005273932	0	38	-2.0	-122.48	313.16	8.59	-113.89
CN1N=CC([N+](=O)[O-])=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273933	0	32	-2.0	-116.27	286.55	6.46	-109.81
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005273934	0	38	-2.0	-122.16	328.84	8.69	-113.47
CC1=CC(Cl)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005273935	0	36	-2.0	-119.35	302.82	9.35	-110.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C=CSC2=C1	REAL300005273936	0	32	-2.0	-129.49	283.78	7.01	-122.48
COC1=CC=C(C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)O2)C=C1	REAL300005273937	0	43	-2.0	-125.24	363.79	7.90	-117.34
CC1=C(C)N2C(=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=O)S1	REAL300005273938	0	38	-2.0	-131.63	318.04	8.00	-123.63
CC(C)OC1=CN=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273939	0	39	-2.0	-124.79	317.12	6.68	-118.11
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005273940	0	37	-2.0	-124.06	306.29	8.02	-116.04
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(C2CC2)=N1	REAL300005273941	0	36	-2.0	-117.99	305.58	6.33	-111.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(Br)=C1Cl	REAL300005273942	0	30	-2.0	-113.89	284.34	8.66	-105.23
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(C2=CC=CC=C2)=N1	REAL300005273944	0	39	-2.0	-122.83	332.98	7.72	-115.11
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2CCCCC2C1	REAL300005273950	0	46	-2.0	-116.27	342.32	10.55	-105.72
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005273951	0	39	-2.0	-132.97	330.41	9.12	-123.85
CC(C)(C)C1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005273952	0	51	-2.0	-124.78	371.06	10.95	-113.83
CC(CCCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273953	0	45	-2.0	-122.24	359.30	10.62	-111.62
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CC(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005273959	0	35	-2.0	-118.62	302.74	6.96	-111.66
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300005273961	0	39	-2.0	-128.61	336.39	10.01	-118.60
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CC(C)OC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005273965	0	39	-2.0	-122.04	322.29	6.23	-115.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300005273966	0	42	-2.0	-135.36	356.89	11.60	-123.76
CC1=CC(N2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)=CC=C1F	REAL300005273967	0	44	-2.0	-110.10	359.30	9.61	-100.49
CCOC1=CC=CC=C1C(F)(F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273968	0	40	-2.0	-135.67	335.27	8.97	-126.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300005273969	0	40	-2.0	-122.55	351.85	10.62	-111.93
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273970	0	42	-2.0	-121.25	362.23	8.76	-112.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2=COC=C2)=C1	REAL300005273971	0	37	-2.0	-131.97	316.57	9.31	-122.66
CCN1N=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005273972	0	37	-2.0	-121.99	317.36	7.81	-114.18
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005273973	0	47	-2.0	-136.40	387.08	11.66	-124.74
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CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC(Cl)=C1	REAL300005273986	0	40	-2.0	-136.49	353.07	10.49	-126.00
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CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)NC(C2=CC=CN=C2)=N1	REAL300005274005	0	44	-2.0	-146.90	371.65	7.44	-139.46
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005274005	1	43	-3.0	-236.05	369.70	6.43	-229.62
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CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1F	REAL300005274009	0	39	-2.0	-117.66	328.66	10.01	-107.65
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CC(C)C1=CC=CC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)=C1	REAL300005274012	0	46	-2.0	-129.48	378.85	12.32	-117.16
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CC(C)[C@H]1CC[C@H](C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274023	0	45	-2.0	-122.33	335.11	9.48	-112.85
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CCOC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005274027	0	36	-2.0	-119.81	317.14	5.79	-114.02
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CC1=CC(Cl)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274042	0	33	-2.0	-112.60	291.25	8.90	-103.70
COC1=CC=C(C(=O)CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005274043	0	42	-2.0	-126.10	359.59	8.80	-117.30
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COC1=C(C)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005274045	0	40	-2.0	-126.64	328.85	8.55	-118.09
CC(C)OC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274046	0	44	-2.0	-128.28	362.33	10.17	-118.11
CCCC1=CC=C(N2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300005274047	0	50	-2.0	-109.25	400.58	11.27	-97.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300005274048	0	39	-2.0	-144.53	344.42	10.72	-133.81
COC1=CC=C(C(=O)CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274049	0	45	-2.0	-131.40	374.80	9.54	-121.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Br)=C2OCOC2=C1	REAL300005274050	0	33	-2.0	-121.91	304.40	6.96	-114.95
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005274051	0	35	-2.0	-125.87	300.27	9.14	-116.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1CCC2	REAL300005274052	0	37	-2.0	-122.89	294.05	9.55	-113.34
CO[C@@H](C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005274053	0	37	-2.0	-115.37	305.23	8.00	-107.37
CCN(CC)C(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274054	0	46	-2.0	-124.73	368.05	9.42	-115.31
CC1=CC=C(Cl)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274055	0	33	-2.0	-115.32	291.96	8.91	-106.41
CN1C=C([N+](=O)[O-])C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274056	0	32	-2.0	-131.86	284.76	7.36	-124.50
CC1=CC=CC(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274057	0	39	-2.0	-125.64	314.90	9.75	-115.89
CCCCCCC(CC)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274058	0	47	-2.0	-125.97	360.33	10.59	-115.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CCC2)C=C1	REAL300005274059	0	40	-2.0	-128.55	317.69	10.28	-118.27
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(OC)C=C1	REAL300005274060	0	43	-2.0	-121.10	343.86	8.91	-112.19
CC1=CC=C(CC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274061	0	42	-2.0	-128.09	341.48	10.57	-117.52
CC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274062	0	36	-2.0	-127.83	306.96	9.03	-118.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC12CCC1=CC=CC=C12	REAL300005274063	0	41	-2.0	-129.92	334.01	11.13	-118.79
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CC1=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC(Br)=C1	REAL300005274065	0	36	-2.0	-117.91	327.08	10.28	-107.63
CCC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(OC)C=C1	REAL300005274066	0	46	-2.0	-124.47	366.39	9.88	-114.59
CS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005274067	0	33	-2.0	-127.39	306.42	4.32	-123.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL300005274068	0	45	-2.0	-125.51	383.13	10.72	-114.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1	REAL300005274069	0	42	-2.0	-117.18	355.60	6.87	-110.31
CC1=NN(C)C2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005274070	0	38	-2.0	-124.18	323.39	7.43	-116.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=NC=N2)N=C1	REAL300005274071	0	35	-2.0	-120.78	302.52	9.43	-111.35
CC1=NC(COC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=NO1	REAL300005274072	0	42	-2.0	-139.22	360.44	6.52	-132.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300005274073	0	32	-2.0	-114.38	291.27	8.23	-106.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(OC2=CC=CC=N2)C=C1	REAL300005274074	0	44	-2.0	-128.35	377.78	8.70	-119.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CC2=CC=CC=C21	REAL300005274075	0	35	-2.0	-130.31	295.78	8.88	-121.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(F)C(F)=C1	REAL300005274076	0	33	-2.0	-121.15	295.09	8.90	-112.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C(F)C=CC=C1F	REAL300005274077	0	33	-2.0	-131.78	293.02	8.87	-122.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300005274078	0	36	-2.0	-121.57	330.72	10.04	-111.53
CC1=CC(C)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005274079	0	42	-2.0	-127.00	336.87	10.41	-116.59
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005274080	0	34	-2.0	-120.03	287.77	7.03	-113.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Cl)C(F)=C1	REAL300005274081	0	30	-2.0	-117.15	274.65	8.24	-108.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC2=CC=C(Cl)C=C12	REAL300005274082	0	36	-2.0	-129.26	334.79	10.69	-118.57
CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300005274083	0	33	-2.0	-118.56	286.88	8.75	-109.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(F)=C1F	REAL300005274084	0	33	-2.0	-134.57	293.96	8.93	-125.64
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300005274085	0	33	-2.0	-116.87	293.14	8.96	-107.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(F)C=C1F	REAL300005274086	0	33	-2.0	-127.77	294.58	8.94	-118.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300005274087	0	34	-2.0	-120.99	298.07	7.47	-113.52
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274088	0	34	-2.0	-106.84	297.34	7.22	-99.62
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274089	0	42	-2.0	-119.85	347.12	10.22	-109.63
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C2C=NN(C(C)C)C2=N1	REAL300005274090	0	44	-2.0	-116.57	363.02	9.08	-107.49
COC1=CC2=NC(C)=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005274091	0	42	-2.0	-120.70	347.01	8.02	-112.68
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005274092	0	43	-2.0	-110.11	352.18	6.53	-103.58
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2C=NN(C(C)C)C2=N1	REAL300005274093	0	44	-2.0	-115.72	358.11	8.93	-106.79
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005274094	0	41	-2.0	-113.91	353.28	6.45	-107.46
COC1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300005274095	0	39	-2.0	-126.33	326.84	8.67	-117.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300005274096	0	36	-2.0	-119.40	330.70	10.06	-109.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC2=CC=CN=C21	REAL300005274097	0	38	-2.0	-136.03	322.39	9.31	-126.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21	REAL300005274098	0	45	-2.0	-127.34	374.56	11.50	-115.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300005274099	0	40	-2.0	-123.60	333.00	10.80	-112.80
CCS(=O)(=O)C1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274100	0	42	-2.0	-131.12	364.56	7.19	-123.93
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274101	0	45	-2.0	-118.00	366.02	8.26	-109.74
CC1=CC(C)=C(Br)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274102	0	36	-2.0	-118.89	306.75	9.42	-109.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(NC(=O)C2=CC=CN=C2)=CC=C1	REAL300005274103	0	43	-2.0	-142.16	358.82	7.93	-134.23
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C21	REAL300005274104	0	47	-2.0	-112.95	385.69	8.03	-104.92
CC1=CC(C)=NN1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274105	0	42	-2.0	-124.11	352.25	9.64	-114.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300005274106	0	43	-2.0	-125.89	360.98	8.28	-117.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300005274107	0	40	-2.0	-125.63	338.72	7.96	-117.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1Br	REAL300005274108	0	34	-2.0	-126.36	311.71	8.98	-117.38
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274109	0	44	-2.0	-131.49	366.12	10.17	-121.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300005274110	0	47	-2.0	-128.89	399.16	10.82	-118.07
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1OCC1=CC=CN=C1	REAL300005274111	0	49	-2.0	-128.59	405.46	10.77	-117.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)COC1=CC=CC=C1	REAL300005274112	0	41	-2.0	-123.76	350.29	7.15	-116.61
CC(NC(=O)C1=CC=CO1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274113	0	37	-2.0	-128.75	319.84	5.17	-123.58
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=C1C	REAL300005274114	0	47	-2.0	-129.83	377.73	12.54	-117.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C(=O)N3CCCCCC3=NC2=C1	REAL300005274115	0	48	-2.0	-135.79	379.94	10.06	-125.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNS(=O)(=O)C=CC1=CC=CC=C1	REAL300005274116	0	45	-2.0	-123.73	390.44	6.35	-117.38
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=C1C=CC1=C2C=CC=C1	REAL300005274117	0	42	-2.0	-133.40	350.24	11.90	-121.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300005274118	0	41	-2.0	-121.50	358.53	5.17	-116.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2	REAL300005274119	0	54	-2.0	-113.23	394.84	9.17	-104.06
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC1CCCC1	REAL300005274120	0	48	-2.0	-127.73	376.63	9.72	-118.01
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=C1C(=O)CC(C)(C)C2	REAL300005274121	0	46	-2.0	-121.90	358.70	9.42	-112.48
CC(C)N1N=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C21	REAL300005274122	0	48	-2.0	-117.55	384.69	10.33	-107.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1OC2=CC=CC=C2NC1=O	REAL300005274123	0	39	-2.0	-116.63	330.60	6.64	-109.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2CC2)=NC2=CC=CC=C21	REAL300005274124	0	42	-2.0	-125.06	345.21	10.13	-114.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCCS1(=O)=O	REAL300005274125	0	36	-2.0	-133.27	299.46	4.60	-128.67
CC(=O)C1=C(C)NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C(C)C	REAL300005274126	0	45	-2.0	-118.10	355.04	9.11	-108.99
CC1=NOC(C)=C1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274127	0	41	-2.0	-119.20	328.45	8.52	-110.68
COC1=C(Br)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274128	0	31	-2.0	-110.18	295.08	6.89	-103.29
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274129	0	46	-2.0	-123.01	381.46	10.54	-112.47
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274130	0	40	-2.0	-134.67	335.30	10.50	-124.17
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCOCC1	REAL300005274131	0	44	-2.0	-122.68	347.00	6.86	-115.82
CCC(CC)N1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005274132	0	45	-2.0	-133.45	359.91	9.69	-123.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=CC=C1Cl	REAL300005274133	0	37	-2.0	-129.98	324.53	10.55	-119.43
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274134	0	40	-2.0	-129.22	340.56	10.33	-118.89
CCOC1=C(Cl)C=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274135	0	40	-2.0	-125.00	350.09	9.65	-115.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CC(C2=CC=CC=C2)C1	REAL300005274136	0	43	-2.0	-115.45	347.33	11.40	-104.05
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274137	0	42	-2.0	-130.43	355.82	6.57	-123.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2CCOC2)=C1	REAL300005274138	0	41	-2.0	-128.80	332.36	8.32	-120.48
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274139	0	42	-2.0	-123.45	353.74	6.43	-117.02
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300005274140	0	36	-2.0	-118.51	311.25	9.81	-108.70
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274141	0	44	-2.0	-135.71	372.47	5.32	-130.39
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274142	0	40	-2.0	-129.69	359.26	11.69	-118.00
COC1=CC2=CC=C([C@H](C)C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005274143	0	46	-2.0	-117.13	370.07	10.73	-106.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C(F)F)=C1	REAL300005274144	0	33	-2.0	-134.89	291.76	8.66	-126.23
COC1=CC=C(F)C=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274145	0	37	-2.0	-128.78	317.10	8.20	-120.58
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(C)C=C21	REAL300005274146	0	40	-2.0	-121.10	326.89	9.69	-111.41
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(C(C)C)O1	REAL300005274147	0	39	-2.0	-126.65	317.00	8.75	-117.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C(F)(F)F)=N1	REAL300005274148	0	29	-2.0	-117.48	283.24	7.03	-110.45
CC(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005274149	0	42	-2.0	-125.36	339.56	10.75	-114.61
CC1=CC=C2C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CSC2=C1	REAL300005274150	0	36	-2.0	-123.60	308.05	9.70	-113.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C(F)(F)F)N=C1	REAL300005274151	0	31	-2.0	-112.23	282.88	6.01	-106.22
CCC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274152	0	39	-2.0	-127.89	318.02	9.92	-117.97
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C(F)C=CC=C1F	REAL300005274153	0	36	-2.0	-131.22	302.03	9.05	-122.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=C(Cl)C=C12	REAL300005274154	0	37	-2.0	-137.18	330.92	9.40	-127.78
CC(CC1=CC=CC=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274155	0	39	-2.0	-120.99	318.91	9.24	-111.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Cl)S1	REAL300005274156	0	30	-2.0	-120.95	290.17	8.56	-112.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1CCOCC1	REAL300005274157	0	43	-2.0	-122.10	337.20	8.17	-113.93
COC1=CC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1F	REAL300005274158	0	40	-2.0	-136.38	338.55	8.93	-127.45
CC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300005274159	0	40	-2.0	-129.74	335.98	10.63	-119.11
CC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005274160	0	39	-2.0	-125.50	330.85	10.02	-115.48
CC1(C)CCCCC1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274161	0	45	-2.0	-115.58	328.44	9.64	-105.94
COCC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274162	0	40	-2.0	-131.26	337.45	8.51	-122.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=CCCC2=C1	REAL300005274163	0	38	-2.0	-131.80	307.20	10.04	-121.76
CSC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005274164	0	34	-2.0	-119.66	298.01	8.72	-110.94
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300005274165	0	35	-2.0	-114.38	290.49	7.76	-106.62
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274166	0	43	-2.0	-133.32	348.61	10.91	-122.41
COC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1	REAL300005274167	0	47	-2.0	-125.64	383.07	9.02	-116.62
COC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C(F)C=C1	REAL300005274168	0	38	-2.0	-123.07	322.43	7.89	-115.18
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300005274169	0	49	-2.0	-126.55	394.48	12.70	-113.85
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274170	0	45	-2.0	-120.48	368.59	10.62	-109.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300005274171	0	41	-2.0	-129.31	347.44	8.26	-121.05
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NC(C(F)(F)F)=N1	REAL300005274172	0	34	-2.0	-115.30	310.10	7.78	-107.52
CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005274173	0	36	-2.0	-121.78	321.87	9.97	-111.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=CC(C(F)(F)F)=C1	REAL300005274174	0	42	-2.0	-120.42	364.01	11.36	-109.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC(F)=CC=C1F	REAL300005274175	0	39	-2.0	-125.95	337.14	10.49	-115.46
CCCOC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274176	0	43	-2.0	-131.51	355.24	9.81	-121.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(OCC(F)(F)F)=C1	REAL300005274177	0	40	-2.0	-131.89	353.31	9.47	-122.42
CC(C)CC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274178	0	48	-2.0	-124.30	384.98	12.28	-112.02
CCCN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300005274179	0	43	-2.0	-125.68	346.32	10.83	-114.85
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274180	0	42	-2.0	-128.20	354.89	5.03	-123.17
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300005274181	0	39	-2.0	-121.29	329.92	8.39	-112.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300005274182	0	40	-2.0	-126.47	352.09	9.29	-117.18
COC1=CC=C(CC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274183	0	47	-2.0	-123.36	375.24	8.29	-115.07
CCCCS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274184	0	45	-2.0	-125.59	382.13	7.69	-117.90
CCC(C)(C)C1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274185	0	54	-2.0	-125.80	376.39	11.16	-114.64
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274186	0	39	-2.0	-134.31	331.11	6.30	-128.01
COC1=CC=C(OC)C(C2CC2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274187	0	45	-2.0	-130.26	359.96	8.42	-121.84
CCC1=CC=C2OC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005274188	0	39	-2.0	-125.14	323.36	9.63	-115.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300005274189	0	36	-2.0	-122.82	325.82	9.82	-113.00
CC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300005274190	0	41	-2.0	-121.35	336.98	10.18	-111.17
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1Br	REAL300005274191	0	33	-2.0	-120.35	306.34	9.29	-111.06
CC1=CC2=C(C=C1C)C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CO2	REAL300005274192	0	41	-2.0	-127.54	330.28	8.53	-119.01
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274193	0	47	-2.0	-135.94	390.74	7.14	-128.80
COC1=CC=C(C2=C(C)SC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005274194	0	44	-2.0	-122.00	371.86	10.46	-111.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F	REAL300005274195	0	39	-2.0	-126.99	346.92	9.84	-117.15
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=C(Cl)C=C2)=N1	REAL300005274196	0	39	-2.0	-114.83	352.10	9.82	-105.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(F)C(Cl)=C1	REAL300005274197	0	30	-2.0	-116.71	274.64	8.23	-108.48
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300005274198	0	33	-2.0	-122.11	296.49	8.86	-113.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(F)C=C1Cl	REAL300005274199	0	33	-2.0	-121.20	303.07	9.31	-111.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(OC(F)(F)F)=C1	REAL300005274200	0	37	-2.0	-124.25	328.38	8.58	-115.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(F)=CC=C1Br	REAL300005274201	0	33	-2.0	-116.94	306.04	9.31	-107.63
CC1=C(Cl)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274202	0	33	-2.0	-115.43	290.08	8.81	-106.62
COC1=CC=C2OCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=C1	REAL300005274203	0	42	-2.0	-128.74	344.22	7.94	-120.80
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1F	REAL300005274204	0	36	-2.0	-122.93	304.62	9.07	-113.86
CCC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005274205	0	37	-2.0	-130.54	318.59	9.07	-121.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300005274206	0	33	-2.0	-117.60	307.52	9.17	-108.43
CCC(CC1=CC=CC=C1C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274207	0	45	-2.0	-121.55	339.32	10.39	-111.16
CC(=O)NC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274208	0	40	-2.0	-125.81	338.77	7.67	-118.14
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(Br)O1	REAL300005274209	0	30	-2.0	-118.99	274.51	7.24	-111.75
C=CCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005274210	0	36	-2.0	-130.35	313.61	7.10	-123.25
CC1=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300005274211	0	33	-2.0	-126.31	294.48	7.28	-119.03
CS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274212	0	33	-2.0	-134.62	306.78	4.46	-130.16
CC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274213	0	41	-2.0	-124.12	328.64	9.52	-114.60
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274214	0	38	-2.0	-116.79	321.62	9.60	-107.19
CN1N=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005274215	0	39	-2.0	-136.79	332.32	8.65	-128.14
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1C=CC=N1	REAL300005274216	0	40	-2.0	-131.57	337.17	9.98	-121.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300005274217	0	43	-2.0	-126.20	363.11	9.20	-117.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL300005274218	0	44	-2.0	-140.45	367.97	11.55	-128.90
CC1=C(Br)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274219	0	30	-2.0	-113.22	284.52	8.21	-105.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CN=CC=C2C=C1	REAL300005274220	0	34	-2.0	-124.83	292.75	7.57	-117.26
CC1=C2OC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300005274221	0	36	-2.0	-124.38	302.09	8.84	-115.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(N2C=NN=C2)C=C1	REAL300005274222	0	39	-2.0	-123.50	333.30	11.76	-111.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(OC(F)F)=C1	REAL300005274223	0	40	-2.0	-124.80	343.04	9.20	-115.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300005274224	0	36	-2.0	-131.65	325.15	8.00	-123.65
CC1=CSC(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274225	0	38	-2.0	-122.44	331.87	8.08	-114.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=CC=C(F)C=C12	REAL300005274226	0	33	-2.0	-120.85	287.08	8.25	-112.60
CC1CCN2N=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C1	REAL300005274227	0	40	-2.0	-123.85	316.64	7.63	-116.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC(Cl)=C2S1	REAL300005274228	0	33	-2.0	-122.25	306.66	9.75	-112.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NN=C1C1=CSC=C1	REAL300005274229	0	35	-2.0	-127.75	316.46	6.68	-121.07
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(F)C(F)=C1	REAL300005274230	0	39	-2.0	-120.09	341.59	8.73	-111.36
CN1N=C(C2CC2)N=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274231	0	39	-2.0	-130.55	330.96	8.22	-122.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC=NC=C21	REAL300005274232	0	35	-2.0	-125.91	296.07	8.21	-117.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC2=CC=C(F)C=C21	REAL300005274233	0	37	-2.0	-121.89	321.86	10.31	-111.58
CC1=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(Cl)C=C2C=C1	REAL300005274234	0	38	-2.0	-132.40	328.66	9.57	-122.83
CSC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274235	0	43	-2.0	-124.83	365.50	11.42	-113.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC(Br)=CC=C21	REAL300005274236	0	37	-2.0	-111.53	320.34	9.78	-101.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2OCCCC2=C1	REAL300005274237	0	41	-2.0	-127.18	336.08	9.41	-117.77
CC(C)(C)N1C=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274238	0	38	-2.0	-130.39	315.51	9.04	-121.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C2C=CC=CN2N=C1	REAL300005274239	0	36	-2.0	-133.38	310.13	8.58	-124.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCOCC2=C1	REAL300005274240	0	35	-2.0	-126.74	293.61	5.55	-121.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300005274241	0	32	-2.0	-112.01	305.54	8.03	-103.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=NC=NC=C2C1	REAL300005274242	0	38	-2.0	-118.87	307.27	7.55	-111.32
CCCC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274243	0	48	-2.0	-124.62	389.67	12.62	-112.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300005274244	0	39	-2.0	-131.35	323.85	9.43	-121.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(CC(F)(F)F)=C1	REAL300005274245	0	39	-2.0	-129.85	343.35	10.56	-119.29
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1CCOCC1	REAL300005274246	0	46	-2.0	-129.76	352.66	7.49	-122.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2CCC2)N=N1	REAL300005274247	0	36	-2.0	-125.13	299.75	6.73	-118.40
CC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1(F)Cl	REAL300005274248	0	33	-2.0	-118.08	293.09	8.29	-109.79
NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274249	0	35	-2.0	-123.49	311.15	2.63	-120.86
NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005274250	0	32	-2.0	-123.25	296.21	1.65	-121.60
CC1=CC=CC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2C)=C1	REAL300005274251	0	44	-2.0	-123.65	351.67	10.99	-112.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC=CC=C2C1	REAL300005274252	0	40	-2.0	-126.15	322.85	10.33	-115.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCCC1=CC=CC(F)=C1	REAL300005274253	0	40	-2.0	-123.80	344.57	9.68	-114.12
CC(COCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005274254	0	43	-2.0	-126.20	354.97	10.13	-116.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2=CC=C(Br)C=C21	REAL300005274255	0	38	-2.0	-121.32	329.23	8.57	-112.75
COCCN1C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274256	0	37	-2.0	-126.60	315.89	6.22	-120.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=C(O)C=CC=C21	REAL300005274257	0	41	-2.0	-126.70	326.55	7.03	-119.67
CCC1CCCCC1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274258	0	46	-2.0	-129.41	355.49	9.86	-119.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(CC2=CC=CC=C2F)S1	REAL300005274259	0	39	-2.0	-118.17	347.21	9.54	-108.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1CCCCCC1	REAL300005274260	0	43	-2.0	-124.15	331.69	10.09	-114.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCS(=O)(=O)N1	REAL300005274261	0	32	-2.0	-115.31	280.57	1.37	-113.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300005274262	0	37	-2.0	-128.05	332.51	10.18	-117.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300005274263	0	36	-2.0	-122.94	329.17	8.75	-114.19
CC1=NN(C(C)(C)C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274264	0	42	-2.0	-119.07	334.73	7.96	-111.11
COCCOC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274265	0	44	-2.0	-125.80	367.36	8.28	-117.52
CC1(C)COC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300005274266	0	41	-2.0	-130.65	333.22	8.80	-121.85
CN(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005274267	0	38	-2.0	-122.03	317.75	7.22	-114.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1OCCCO2	REAL300005274268	0	39	-2.0	-123.07	311.91	8.22	-114.85
CC1=NN=NN1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274269	0	38	-2.0	-121.00	319.27	7.71	-113.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C2CCCCC2=C1	REAL300005274270	0	49	-2.0	-124.64	387.98	12.86	-111.78
CC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274271	0	38	-2.0	-123.93	312.54	9.11	-114.82
CSC1=CC=CN=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274272	0	33	-2.0	-127.20	286.77	8.12	-119.08
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274273	0	46	-2.0	-124.54	376.72	9.95	-114.59
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Br	REAL300005274274	0	37	-2.0	-121.69	313.10	9.21	-112.48
CC1=CC=C(C2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C=C1C	REAL300005274275	0	42	-2.0	-119.68	356.37	9.98	-109.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C2OC(F)(F)OC2=C1	REAL300005274276	0	39	-2.0	-122.41	343.39	8.72	-113.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300005274277	0	39	-2.0	-125.70	338.26	8.62	-117.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2(CC2(F)F)CC1	REAL300005274278	0	40	-2.0	-119.00	313.45	8.68	-110.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)F)C=C1F	REAL300005274279	0	33	-2.0	-119.03	293.55	8.75	-110.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1OCC2=CC(Cl)=CC=C21	REAL300005274280	0	38	-2.0	-114.87	333.59	9.09	-105.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC(F)(F)F)O1	REAL300005274281	0	34	-2.0	-111.77	315.31	7.95	-103.82
CC1=C(C2=CC=CC=C2)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274282	0	40	-2.0	-131.25	342.72	11.21	-120.04
CC1=NN(C(C)C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274283	0	39	-2.0	-117.82	314.96	7.34	-110.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=C(Cl)C=CC=C1Cl	REAL300005274284	0	36	-2.0	-126.92	331.88	10.46	-116.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)F)N=C1	REAL300005274285	0	32	-2.0	-120.76	281.65	6.66	-114.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2OCCOC2=CS1	REAL300005274286	0	33	-2.0	-122.76	286.25	5.91	-116.85
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274287	0	43	-2.0	-133.49	363.30	11.89	-121.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=C(F)C=CC=C1F	REAL300005274288	0	39	-2.0	-128.12	335.90	10.43	-117.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CN2CCCCC2=N1	REAL300005274289	0	40	-2.0	-143.28	325.36	9.09	-134.19
CC(=CC1=CC=NC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274290	0	36	-2.0	-123.63	293.64	7.73	-115.90
CC(=CC1=CC=CC=N1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274291	0	36	-2.0	-128.08	295.55	8.39	-119.69
CC(=CC1=CC=CN=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274292	0	36	-2.0	-121.34	301.47	7.80	-113.54
CC(C)(C)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274293	0	42	-2.0	-130.64	328.23	9.99	-120.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2CC2)=C1	REAL300005274294	0	37	-2.0	-130.48	306.28	9.77	-120.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OCCOC2=N1	REAL300005274295	0	35	-2.0	-127.19	296.62	5.70	-121.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(F)C=C1	REAL300005274296	0	39	-2.0	-121.81	331.69	10.47	-111.34
CS(=O)(=O)N1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274297	0	44	-2.0	-127.47	357.28	5.45	-122.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1OCC2=CC=CC=C21	REAL300005274298	0	38	-2.0	-121.83	316.50	8.83	-113.00
COC1=CC=C2CCCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005274299	0	44	-2.0	-136.52	341.14	9.69	-126.83
COC1=CN2N=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300005274300	0	37	-2.0	-124.90	308.56	6.63	-118.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1CCCCCC1	REAL300005274301	0	45	-2.0	-122.56	335.64	10.16	-112.40
CC1(C)CC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2O1	REAL300005274302	0	41	-2.0	-130.82	327.61	9.49	-121.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCS1(=O)=O	REAL300005274303	0	33	-2.0	-121.69	279.58	4.37	-117.32
CN(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005274304	0	37	-2.0	-121.32	319.83	6.81	-114.51
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274305	0	43	-2.0	-136.32	354.70	9.67	-126.65
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(=O)C2=CC=CC=C12	REAL300005274306	0	39	-2.0	-120.71	327.57	8.10	-112.61
CSC1=CC(Br)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274307	0	34	-2.0	-116.91	312.35	9.30	-107.61
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300005274308	0	36	-2.0	-117.91	311.26	8.90	-109.01
COC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300005274309	0	33	-2.0	-114.95	290.10	6.47	-108.48
CSCC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274310	0	37	-2.0	-115.02	316.07	8.94	-106.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1C2CC3CC(C2)CC1C3	REAL300005274311	0	47	-2.0	-128.79	336.33	10.52	-118.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300005274312	0	36	-2.0	-117.61	335.99	9.26	-108.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CN=CC=C2C=C1	REAL300005274313	0	35	-2.0	-126.64	298.12	8.17	-118.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300005274314	0	38	-2.0	-130.75	321.37	7.94	-122.81
CC(C)CN1N=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274315	0	39	-2.0	-113.42	308.10	7.43	-105.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300005274316	0	37	-2.0	-124.18	318.76	8.84	-115.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(SC(F)(F)F)=C1	REAL300005274317	0	34	-2.0	-120.58	308.46	9.12	-111.46
CC(C)(C)N1N=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274318	0	37	-2.0	-124.58	312.41	6.12	-118.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC12CCCCC1C2(F)F	REAL300005274319	0	40	-2.0	-118.92	319.46	9.51	-109.41
CC1=CC(Br)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274320	0	36	-2.0	-117.24	314.33	9.51	-107.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1CC[C@H](C2CCC2)CC1	REAL300005274321	0	46	-2.0	-115.66	352.44	10.79	-104.87
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274322	0	44	-2.0	-115.83	362.93	10.34	-105.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300005274323	0	47	-2.0	-125.96	393.64	12.06	-113.90
CC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300005274324	0	41	-2.0	-123.99	359.09	9.86	-114.13
CC1(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300005274325	0	48	-2.0	-129.67	356.02	10.17	-119.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C(C2CC2)C=N1	REAL300005274326	0	37	-2.0	-131.07	313.89	8.29	-122.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1COCC2	REAL300005274327	0	38	-2.0	-120.14	299.10	7.70	-112.44
CC(C)(C)N1N=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300005274328	0	39	-2.0	-118.55	327.96	7.62	-110.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2(CC2(F)F)C1	REAL300005274329	0	34	-2.0	-122.78	295.79	8.65	-114.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CNC2=NC=N1	REAL300005274330	0	32	-2.0	-125.73	276.47	8.06	-117.67
CCCCCC1=NNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274331	0	42	-2.0	-113.24	343.79	8.42	-104.82
CCCCCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300005274331	1	42	-2.0	-123.12	346.02	8.62	-114.50
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCOCC1	REAL300005274332	0	48	-2.0	-127.94	362.27	8.91	-119.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C(Cl)=CC=CN2N=C1	REAL300005274333	0	33	-2.0	-128.33	295.94	7.93	-120.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Br)C=C1F	REAL300005274334	0	33	-2.0	-128.08	309.46	9.49	-118.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300005274335	0	33	-2.0	-116.80	307.03	9.76	-107.04
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274336	0	41	-2.0	-114.95	343.81	9.55	-105.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(=O)C2=CC=CO2)=CC=C1	REAL300005274337	0	39	-2.0	-130.89	337.19	9.45	-121.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300005274338	0	49	-2.0	-126.77	384.23	12.59	-114.18
COCC1=CN=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274339	0	36	-2.0	-129.38	302.18	5.49	-123.89
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1Br	REAL300005274340	0	37	-2.0	-114.64	326.47	9.58	-105.06
COC1=CC=CC=C1C(F)(F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274341	0	37	-2.0	-134.58	312.55	7.42	-127.16
CC1=NNC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005274342	0	36	-2.0	-125.32	305.60	6.96	-118.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2=CC=CN=C2)=N1	REAL300005274343	0	35	-2.0	-125.77	309.93	6.01	-119.76
COCCCN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CC1=O	REAL300005274344	0	42	-2.0	-110.79	350.54	6.28	-104.51
CN1C(=O)C(C)(C)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005274345	0	44	-2.0	-123.72	361.02	9.16	-114.56
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300005274346	0	37	-2.0	-119.56	323.93	8.07	-111.49
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCOC1	REAL300005274347	0	38	-2.0	-115.09	292.92	5.01	-110.08
CC(C)(C)N1N=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274348	0	40	-2.0	-131.80	335.74	6.36	-125.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2COCCC2=C1	REAL300005274349	0	38	-2.0	-128.60	305.80	7.76	-120.84
COCCCOCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274350	0	40	-2.0	-121.55	333.07	5.74	-115.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C(Cl)C=CC=C1Br	REAL300005274351	0	33	-2.0	-125.07	315.06	9.76	-115.31
COC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005274352	0	37	-2.0	-125.69	325.41	8.54	-117.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2C=CC=NC2=N1	REAL300005274353	0	31	-2.0	-140.70	276.07	8.93	-131.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CSC2=NC=N1	REAL300005274354	0	31	-2.0	-118.18	280.61	8.22	-109.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300005274355	0	39	-2.0	-128.64	332.90	11.31	-117.33
CC1=C(S(C)(=O)=O)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005274356	0	36	-2.0	-130.34	320.44	4.94	-125.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CSC=C2S1	REAL300005274357	0	30	-2.0	-124.25	281.41	8.24	-116.01
CC1=CC=CC=C1CC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274358	0	42	-2.0	-121.40	329.01	9.52	-111.88
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(C(F)F)=C1	REAL300005274359	0	33	-2.0	-113.11	292.22	8.35	-104.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=C(Cl)C=CC=C3C21	REAL300005274360	0	38	-2.0	-117.37	325.19	10.81	-106.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300005274361	0	33	-2.0	-122.74	307.41	9.27	-113.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CC2)C=C1	REAL300005274362	0	37	-2.0	-128.25	306.23	9.78	-118.47
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274363	0	40	-2.0	-118.03	328.56	10.71	-107.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CC=C2CO1	REAL300005274364	0	38	-2.0	-121.64	310.88	8.69	-112.95
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCCC1	REAL300005274365	0	43	-2.0	-120.77	328.43	8.17	-112.60
CC1CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2O1	REAL300005274366	0	38	-2.0	-128.30	309.13	8.29	-120.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2(C1)CCCCC2	REAL300005274367	0	43	-2.0	-115.12	328.10	9.99	-105.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC2=CC=CC=C21	REAL300005274368	0	36	-2.0	-124.23	317.71	10.50	-113.73
COCC1=CSC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274369	0	34	-2.0	-117.41	298.65	6.58	-110.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300005274370	0	37	-2.0	-117.16	337.20	10.35	-106.81
CC1=CC=C2OC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005274371	0	39	-2.0	-126.61	331.69	9.81	-116.80
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005274372	0	37	-2.0	-120.54	308.22	8.11	-112.43
CCCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005274373	0	42	-2.0	-120.68	354.15	11.01	-109.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=C(Cl)C=CC=C21	REAL300005274374	0	34	-2.0	-116.40	304.46	9.85	-106.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CSN=N2)C=C1	REAL300005274375	0	35	-2.0	-127.49	308.87	7.74	-119.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC=CC=C2CC1	REAL300005274376	0	43	-2.0	-123.20	331.93	9.96	-113.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1CCC1)C1CCC1	REAL300005274377	0	46	-2.0	-125.93	349.09	10.85	-115.08
CC1=CC=C(COC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274378	0	43	-2.0	-126.27	353.00	9.60	-116.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Br)=CC=C2S1	REAL300005274379	0	33	-2.0	-116.63	311.59	9.86	-106.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300005274380	0	34	-2.0	-113.65	320.25	9.18	-104.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2CC2(F)F)C=C1	REAL300005274381	0	38	-2.0	-129.90	331.85	8.99	-120.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300005274382	0	34	-2.0	-116.45	318.97	8.03	-108.42
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300005274383	0	34	-2.0	-121.21	301.96	7.63	-113.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=CC=CC=C3C21	REAL300005274384	0	38	-2.0	-127.95	316.76	10.65	-117.30
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300005274385	0	37	-2.0	-119.93	323.01	8.22	-111.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC(F)=CC=C2C1	REAL300005274386	0	38	-2.0	-121.42	320.98	8.72	-112.70
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(S(C)(=O)=O)O1	REAL300005274387	0	36	-2.0	-118.96	316.27	4.13	-114.83
CC1=CC=CC=C1COC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274388	0	43	-2.0	-128.72	347.81	9.94	-118.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C(F)(F)F)=C1	REAL300005274389	0	30	-2.0	-119.08	284.21	7.93	-111.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300005274390	0	43	-2.0	-116.52	342.66	11.02	-105.50
COCCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274391	0	40	-2.0	-127.81	333.10	6.07	-121.74
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1CCOCC1	REAL300005274392	0	44	-2.0	-134.22	350.92	7.74	-126.48
CCOC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274393	0	41	-2.0	-127.69	344.51	9.53	-118.16
COC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274394	0	38	-2.0	-125.97	322.00	8.59	-117.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2CCCCN2C=C1	REAL300005274395	0	38	-2.0	-129.23	299.98	8.97	-120.26
CC1=NC(C2=CC=CS2)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274396	0	39	-2.0	-129.41	354.28	9.17	-120.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2C(C1)C2(F)F	REAL300005274397	0	37	-2.0	-116.94	292.25	8.45	-108.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21	REAL300005274398	0	44	-2.0	-134.53	370.19	12.08	-122.45
CS(=O)(=O)N1CCC[C@H](C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274399	0	41	-2.0	-127.05	340.69	4.68	-122.37
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300005274400	0	41	-2.0	-134.68	350.89	8.27	-126.41
CC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300005274401	0	36	-2.0	-125.17	318.72	9.91	-115.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC2=C1COCC2	REAL300005274402	0	34	-2.0	-122.65	286.51	6.12	-116.53
CS(=O)(=O)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005274403	0	37	-2.0	-133.30	338.47	5.07	-128.23
CC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=C1	REAL300005274404	0	47	-2.0	-135.54	388.86	12.76	-122.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)SC=C1	REAL300005274405	0	27	-2.0	-115.14	256.64	7.20	-107.94
CSC1=CC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005274406	0	34	-2.0	-116.64	295.43	8.30	-108.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CSC2=CN=C1	REAL300005274407	0	32	-2.0	-121.06	283.57	7.19	-113.87
CC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300005274408	0	39	-2.0	-128.30	325.18	10.11	-118.19
CCCCOC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274409	0	47	-2.0	-121.31	395.54	10.05	-111.26
CC1=CC=CC(N2C=NC3=CC(C(=O)N4C(C(=O)[O-])CCC4C(=O)[O-])=CC=C32)=C1	REAL300005274410	0	46	-2.0	-136.35	380.05	12.95	-123.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CCCCCCC21	REAL300005274411	0	43	-2.0	-117.18	328.49	10.21	-106.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NN=NN2C=C1	REAL300005274412	0	31	-2.0	-109.22	277.95	5.95	-103.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(C2CC2)CC1	REAL300005274413	0	43	-2.0	-126.24	323.24	9.92	-116.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2SC=CC2=NC=N1	REAL300005274414	0	31	-2.0	-119.79	281.79	8.27	-111.52
CCCCCCCCC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274415	0	50	-2.0	-123.00	388.75	11.54	-111.46
CN1N=CC(Cl)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274416	0	30	-2.0	-110.14	275.71	6.05	-104.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CC=C(Br)N2N=C1	REAL300005274417	0	33	-2.0	-125.80	300.35	7.87	-117.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300005274418	0	39	-2.0	-122.27	341.29	7.59	-114.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300005274419	0	40	-2.0	-130.45	339.72	8.04	-122.41
COC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274420	0	37	-2.0	-121.33	304.23	7.73	-113.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300005274421	0	46	-2.0	-126.92	374.37	11.15	-115.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300005274422	0	40	-2.0	-122.62	345.12	8.01	-114.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300005274423	0	40	-2.0	-126.78	345.61	7.91	-118.87
CCOCCOCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274424	0	43	-2.0	-127.70	354.88	6.86	-120.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC1CC1=CC=CC=C1	REAL300005274425	0	46	-2.0	-132.30	361.53	11.71	-120.59
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274426	0	47	-2.0	-124.01	376.09	7.63	-116.38
COC1=CC=CC(C(OC)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274427	0	41	-2.0	-131.26	331.27	7.34	-123.92
COCCOCCOCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274428	0	47	-2.0	-129.77	388.51	6.22	-123.55
COC1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1OC	REAL300005274429	0	44	-2.0	-130.56	356.47	9.12	-121.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(N2C=NN=N2)CCOCC1	REAL300005274430	0	42	-2.0	-113.23	333.16	6.78	-106.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300005274431	0	41	-2.0	-138.05	343.93	8.32	-129.73
CC(C)(C)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274432	0	46	-2.0	-128.66	369.24	11.63	-117.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC(F)=CC=C21	REAL300005274433	0	37	-2.0	-110.77	305.34	9.24	-101.53
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005274434	0	43	-2.0	-118.38	347.47	11.38	-107.00
CC1=CC=CC=C1COCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274435	0	40	-2.0	-128.17	333.03	9.51	-118.66
CC1=CC=CC(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274436	0	40	-2.0	-128.46	338.06	9.49	-118.97
CC1=CC=C(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274437	0	40	-2.0	-127.93	338.06	9.50	-118.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=C1Br)OCO2	REAL300005274438	0	33	-2.0	-113.30	300.85	6.90	-106.40
CC(C)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274439	0	39	-2.0	-129.71	312.27	9.57	-120.14
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274440	0	37	-2.0	-112.34	335.96	9.73	-102.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(CN2C=CN=N2)=C1	REAL300005274441	0	39	-2.0	-141.46	335.24	8.14	-133.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300005274442	0	36	-2.0	-115.40	329.27	10.23	-105.17
CCN1N=CC(Cl)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274443	0	33	-2.0	-111.08	296.32	6.90	-104.18
CCOCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274444	0	40	-2.0	-124.59	333.44	6.26	-118.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300005274445	0	43	-2.0	-118.51	355.12	10.06	-108.45
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CS1	REAL300005274446	0	34	-2.0	-124.92	300.83	9.00	-115.92
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(O)=C1	REAL300005274447	0	35	-2.0	-117.28	293.16	4.92	-112.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=CC=C(Cl)C=C1	REAL300005274448	0	42	-2.0	-120.38	363.51	11.67	-108.71
CCCOC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCCC	REAL300005274449	0	53	-2.0	-124.76	427.84	11.42	-113.34
COC1CCCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274450	0	43	-2.0	-112.51	334.16	8.02	-104.49
CC1=C2SC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300005274451	0	36	-2.0	-124.36	310.59	9.88	-114.48
COCCOC1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274452	0	47	-2.0	-125.95	367.78	6.69	-119.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC(C2CC2)=C1	REAL300005274453	0	40	-2.0	-126.56	331.60	10.88	-115.68
CC1=C(C)C=C2C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005274454	0	39	-2.0	-125.08	318.98	9.38	-115.70
CC(C)(C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(F)(F)F	REAL300005274455	0	42	-2.0	-125.09	346.36	10.19	-114.90
CC1CCN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2C1	REAL300005274456	0	40	-2.0	-131.57	323.21	9.67	-121.90
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274457	0	40	-2.0	-117.51	344.32	10.89	-106.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1CCOCC1	REAL300005274458	0	41	-2.0	-115.67	328.39	8.12	-107.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300005274459	0	44	-2.0	-121.95	355.38	10.41	-111.54
CCC1=CC=C(F)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274460	0	36	-2.0	-117.50	301.86	9.13	-108.37
COCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=CS1	REAL300005274461	0	34	-2.0	-120.31	293.13	6.41	-113.90
CN1C=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300005274462	0	37	-2.0	-135.26	305.73	9.38	-125.88
CNC1=NC(C)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274463	0	36	-2.0	-119.83	305.73	8.13	-111.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2=CC=CC=N2)N=N1	REAL300005274464	0	38	-2.0	-129.21	332.34	6.90	-122.31
COC1=CC2=C(C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])OCO2	REAL300005274465	0	37	-2.0	-129.36	305.06	6.38	-122.98
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274466	0	51	-2.0	-130.48	408.07	12.00	-118.48
COC1=CC=CC=C1NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274467	0	46	-2.0	-132.72	376.61	9.56	-123.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Cl)S1	REAL300005274468	0	31	-2.0	-122.52	299.82	8.99	-113.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1OC(F)(F)F	REAL300005274469	0	38	-2.0	-128.06	338.00	9.17	-118.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2CCOCC2)C=C1	REAL300005274470	0	41	-2.0	-126.75	333.34	7.15	-119.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=C(Br)C=CC=C3C21	REAL300005274471	0	38	-2.0	-117.10	329.59	10.91	-106.19
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(C2=CC=CC=C2)O1	REAL300005274472	0	40	-2.0	-129.83	331.47	10.24	-119.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC(F)(F)CC1	REAL300005274473	0	39	-2.0	-117.38	313.33	9.10	-108.28
CC1=CN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1C(F)(F)F	REAL300005274474	0	36	-2.0	-130.23	324.20	7.76	-122.47
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274475	0	40	-2.0	-120.27	329.24	10.15	-110.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)F)N=CO1	REAL300005274476	0	29	-2.0	-111.33	262.05	4.24	-107.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)F)O1	REAL300005274477	0	30	-2.0	-118.55	274.22	7.74	-110.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300005274478	0	44	-2.0	-129.52	367.32	12.72	-116.80
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C(F)C=C1	REAL300005274479	0	37	-2.0	-121.29	313.65	9.22	-112.07
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCCOC1	REAL300005274480	0	48	-2.0	-127.49	362.24	8.94	-118.55
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1CCCOC1	REAL300005274481	0	51	-2.0	-131.98	385.36	9.76	-122.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300005274482	0	37	-2.0	-126.44	346.10	10.74	-115.70
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2CCOC2)=N1	REAL300005274483	0	40	-2.0	-113.06	333.05	6.33	-106.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300005274484	0	33	-2.0	-118.67	315.87	9.79	-108.88
CC1=CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300005274485	0	36	-2.0	-132.93	306.72	10.05	-122.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1CC1CCC1	REAL300005274486	0	40	-2.0	-114.69	317.43	8.26	-106.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(Cl)=CC2=CC=CC=C21	REAL300005274487	0	39	-2.0	-129.79	342.29	11.47	-118.32
COC1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=C1	REAL300005274488	0	37	-2.0	-123.48	319.79	8.55	-114.93
COC1=CC=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1C	REAL300005274489	0	43	-2.0	-124.77	359.68	9.19	-115.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(COC2=CC=CC=C2)=N1	REAL300005274490	0	43	-2.0	-139.10	377.69	9.22	-129.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(F)C2=CC=CC=C12	REAL300005274491	0	40	-2.0	-126.35	341.94	11.51	-114.84
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274492	0	44	-2.0	-117.69	364.46	11.27	-106.42
CC1CN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC(C)O1	REAL300005274493	0	49	-2.0	-127.11	383.29	7.99	-119.12
CC(=CC1CCC(C)CC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274494	0	46	-2.0	-127.89	352.72	10.68	-117.21
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005274495	0	36	-2.0	-132.77	306.34	8.52	-124.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC1C1=CC=C(F)C=C1	REAL300005274496	0	40	-2.0	-113.30	334.85	10.70	-102.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C(F)F)=C1	REAL300005274497	0	30	-2.0	-118.79	269.21	6.79	-112.00
CSCCCCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274498	0	42	-2.0	-121.59	353.09	10.15	-111.44
CCC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005274499	0	42	-2.0	-125.49	347.94	10.55	-114.94
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CN=CC=N1	REAL300005274500	0	42	-2.0	-130.44	344.71	8.68	-121.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CSC=C1	REAL300005274501	0	34	-2.0	-114.91	301.47	9.14	-105.77
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300005274502	0	36	-2.0	-122.17	311.39	9.21	-112.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300005274503	0	41	-2.0	-117.94	357.43	10.09	-107.85
CCOC1=CC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274504	0	43	-2.0	-124.99	355.14	9.84	-115.15
CC1=CN2C=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2S1	REAL300005274505	0	36	-2.0	-143.80	320.84	9.41	-134.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CC2=CC=CC=C2O1	REAL300005274506	0	38	-2.0	-122.12	316.69	9.32	-112.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300005274507	0	48	-2.0	-136.25	403.26	12.66	-123.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CSC(C(F)(F)F)=C1	REAL300005274508	0	34	-2.0	-121.21	323.76	9.44	-111.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(CCC(F)(F)F)=N1	REAL300005274509	0	38	-2.0	-130.83	348.95	8.56	-122.27
CSC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300005274510	0	34	-2.0	-121.05	311.43	9.23	-111.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=CC(Br)=CC=C3C21	REAL300005274511	0	38	-2.0	-122.23	330.18	11.01	-111.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300005274512	0	37	-2.0	-130.44	327.04	10.51	-119.93
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1C=CC(C(F)(F)F)=N1	REAL300005274513	0	36	-2.0	-127.69	323.18	7.37	-120.32
CC1=CC(C)=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005274514	0	43	-2.0	-130.24	348.48	11.01	-119.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1C(F)(F)F	REAL300005274515	0	37	-2.0	-128.61	326.11	10.11	-118.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C2NC=CC2=C1	REAL300005274516	0	38	-2.0	-132.79	324.50	9.35	-123.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CCCC2)N=C1	REAL300005274517	0	43	-2.0	-127.05	343.03	8.91	-118.14
COCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274518	0	37	-2.0	-124.72	311.59	5.29	-119.43
CC1=CC=CC(COC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274519	0	43	-2.0	-127.09	352.99	9.59	-117.50
CC1(C)[C@H](C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])[C@H]1C1=CC=CC=C1	REAL300005274520	0	43	-2.0	-116.22	342.66	11.00	-105.22
COC1=CC(C)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274521	0	40	-2.0	-123.61	325.76	8.43	-115.18
COCCN1N=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274522	0	40	-2.0	-118.34	327.32	5.77	-112.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(C2=CC=CC=C2)CC1	REAL300005274523	0	40	-2.0	-113.60	331.40	10.64	-102.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC2=CC(Cl)=CC=C12	REAL300005274524	0	36	-2.0	-119.93	326.93	9.66	-110.27
CCC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1	REAL300005274525	0	40	-2.0	-120.63	328.87	9.93	-110.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(F)C2=C1CCCC2	REAL300005274526	0	46	-2.0	-122.36	365.37	11.86	-110.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL300005274527	0	35	-2.0	-113.35	285.96	5.50	-107.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(F)C2=CC=CC=C12	REAL300005274528	0	42	-2.0	-122.98	351.82	11.77	-111.21
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300005274529	0	39	-2.0	-116.38	335.68	10.24	-106.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=CC(Cl)=CC=C3C21	REAL300005274530	0	38	-2.0	-122.41	325.61	10.90	-111.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C2OCCCOC2=C1	REAL300005274531	0	48	-2.0	-128.18	388.13	10.31	-117.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=C(Cl)C=C21	REAL300005274532	0	34	-2.0	-116.78	303.49	9.80	-106.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=C(C(F)(F)F)SC=C1	REAL300005274533	0	34	-2.0	-124.96	318.25	9.24	-115.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CCOCC2)C=C1	REAL300005274534	0	44	-2.0	-127.55	349.53	9.05	-118.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(C(F)F)C=C1	REAL300005274535	0	39	-2.0	-125.60	337.95	10.52	-115.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(C(F)F)=C1	REAL300005274536	0	32	-2.0	-122.91	279.40	6.63	-116.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=NNC2=CC=C1	REAL300005274537	0	33	-2.0	-118.56	276.21	6.21	-112.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C=C(Cl)C=N1	REAL300005274538	0	33	-2.0	-116.41	301.88	7.26	-109.15
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300005274539	0	37	-2.0	-129.32	311.22	8.30	-121.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC=CN=C21	REAL300005274540	0	35	-2.0	-133.92	290.34	8.46	-125.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CN=CC=C21	REAL300005274541	0	35	-2.0	-124.79	295.50	8.20	-116.59
CN(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300005274542	0	37	-2.0	-126.49	306.17	7.50	-118.99
CN1C=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005274543	0	36	-2.0	-135.86	305.43	8.99	-126.87
CN1N=CC=C1COCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274544	0	37	-2.0	-126.15	317.49	6.52	-119.63
CC1=CC(=O)N(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274545	0	36	-2.0	-145.96	308.46	8.07	-137.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=NNC=C2C=C1	REAL300005274546	0	36	-2.0	-141.28	308.63	7.49	-133.79
CC(C)CN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274547	0	39	-2.0	-126.36	314.77	7.81	-118.55
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COC1=NSC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274550	0	30	-2.0	-109.18	271.89	3.74	-105.44
CC1=CC2=C(SC=C2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274551	0	36	-2.0	-127.92	331.68	10.08	-117.84
CCOC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCOC1	REAL300005274552	0	41	-2.0	-111.80	312.61	5.93	-105.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC(Br)=CC=C2C=C1	REAL300005274553	0	36	-2.0	-126.96	324.54	10.54	-116.42
COC1=CC=CC=C1C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274554	0	41	-2.0	-126.81	353.12	10.08	-116.73
CC(C)(C)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274555	0	45	-2.0	-128.15	348.45	10.70	-117.45
CCOC1COCCC1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274556	0	44	-2.0	-113.40	345.94	7.01	-106.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC3=CC=C(Br)C=C3C21	REAL300005274557	0	38	-2.0	-121.19	330.44	11.01	-110.18
CCOC1CC2(CC2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274558	0	41	-2.0	-120.23	337.83	8.47	-111.76
CCC1=CC2=C(SC=C2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274559	0	39	-2.0	-124.18	353.36	10.80	-113.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C(F)F)N=C1	REAL300005274560	0	30	-2.0	-123.17	270.49	5.65	-117.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=NC=N1	REAL300005274561	0	31	-2.0	-107.85	287.17	8.07	-99.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC2=C(Cl)C(Cl)=CC=C12	REAL300005274562	0	36	-2.0	-118.38	342.08	10.12	-108.26
CCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274563	0	36	-2.0	-126.53	309.02	9.24	-117.29
CCOCCCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274564	0	42	-2.0	-123.25	342.40	8.19	-115.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1CCOCC1	REAL300005274565	0	44	-2.0	-122.36	352.48	6.88	-115.48
CCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C2CC2)=N1	REAL300005274566	0	40	-2.0	-119.56	328.09	8.41	-111.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C=CC=CN12	REAL300005274567	0	33	-2.0	-128.73	277.08	7.91	-120.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2CCCCN12	REAL300005274568	0	37	-2.0	-124.53	294.76	7.65	-116.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(CC(F)(F)F)C1	REAL300005274569	0	38	-2.0	-119.20	313.41	5.79	-113.41
CCCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=N1	REAL300005274570	0	41	-2.0	-124.13	332.27	8.52	-115.61
CN1N=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CN=C21	REAL300005274571	0	34	-2.0	-123.90	290.51	5.52	-118.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC=CN=C21	REAL300005274572	0	36	-2.0	-131.82	295.68	8.14	-123.68
CC1=NC=C2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300005274573	0	40	-2.0	-119.40	324.01	8.61	-110.79
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274574	0	44	-2.0	-126.33	351.47	9.36	-116.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC2=CC=CC=C21	REAL300005274575	0	42	-2.0	-131.21	346.26	11.71	-119.50
CC(CCC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274576	0	42	-2.0	-119.79	344.22	9.90	-109.89
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005274577	0	42	-2.0	-119.46	334.17	10.23	-109.23
COCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005274578	0	37	-2.0	-124.83	316.39	7.68	-117.15
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274579	0	43	-2.0	-125.75	360.82	5.99	-119.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C(Br)C=CC=C12	REAL300005274580	0	36	-2.0	-120.01	319.46	10.52	-109.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC12CCOCC2	REAL300005274581	0	41	-2.0	-110.06	304.90	7.09	-102.97
CCOC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCOCC1	REAL300005274582	0	44	-2.0	-123.59	339.37	6.71	-116.88
CCOC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCC1	REAL300005274583	0	43	-2.0	-124.59	333.54	8.68	-115.91
CC1(C)CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2O1	REAL300005274584	0	41	-2.0	-131.19	334.43	8.91	-122.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Br)C=C1Cl	REAL300005274585	0	33	-2.0	-121.61	317.96	9.86	-111.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300005274586	0	41	-2.0	-121.20	335.07	10.59	-110.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CC2)N=C1	REAL300005274587	0	37	-2.0	-126.73	309.20	7.81	-118.92
CC1=CC2=C(S1)C(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=CS2	REAL300005274588	0	36	-2.0	-125.74	331.15	10.00	-115.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300005274589	0	33	-2.0	-123.62	308.77	9.58	-114.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(=O)C1=CC=C(F)C=C1	REAL300005274590	0	32	-2.0	-129.81	289.36	8.81	-121.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2O)=NN1	REAL300005274591	0	38	-2.0	-118.57	322.99	5.83	-112.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=CC=C2O)=C1	REAL300005274591	1	38	-2.0	-127.40	328.04	5.92	-121.48
CC1=CC(C)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274592	0	36	-2.0	-124.12	312.46	9.30	-114.82
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274593	0	45	-2.0	-127.87	364.79	11.16	-116.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1F	REAL300005274594	0	34	-2.0	-129.65	298.66	9.35	-120.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C2OCOC2=C1	REAL300005274595	0	37	-2.0	-124.51	319.18	7.99	-116.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300005274596	0	44	-2.0	-127.83	384.04	13.24	-114.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(F)C=C1	REAL300005274597	0	34	-2.0	-121.78	298.99	9.35	-112.43
C[C@H]1CC[C@H](C2=NC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)CC1	REAL300005274598	0	48	-2.0	-118.79	395.38	10.41	-108.38
COC1=CC=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NO2)C=C1	REAL300005274599	0	40	-2.0	-131.10	345.04	8.92	-122.18
CCC1=CC=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NO2)C=C1	REAL300005274600	0	42	-2.0	-123.20	356.86	10.98	-112.22
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=C(C)C=C2F)=N1	REAL300005274601	0	42	-2.0	-124.57	360.46	9.97	-114.60
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=C(F)C(C)=C2)=N1	REAL300005274602	0	42	-2.0	-114.63	362.07	10.00	-104.63
CC1=CC=C(Cl)C=C1OCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274603	0	37	-2.0	-126.04	328.10	9.57	-116.47
CC(C)(C)C12CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])(C1)C2	REAL300005274604	0	43	-2.0	-117.57	336.16	9.97	-107.60
CC1=CC(C(F)(F)F)=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274605	0	34	-2.0	-130.16	302.37	7.49	-122.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)F)C=CS1	REAL300005274606	0	30	-2.0	-112.50	275.31	8.04	-104.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300005274607	0	40	-2.0	-115.57	346.56	10.48	-105.09
CC1(C)CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC1	REAL300005274608	0	43	-2.0	-118.51	334.51	8.64	-109.87
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC(F)F	REAL300005274609	0	38	-2.0	-117.60	300.11	8.24	-109.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CCCCS1(=O)=O	REAL300005274610	0	38	-2.0	-148.84	319.63	4.48	-144.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300005274611	0	34	-2.0	-124.69	307.24	7.80	-116.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2=C(F)C=CC=C21	REAL300005274612	0	38	-2.0	-121.19	314.07	8.03	-113.16
CS(=O)(=O)C1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274613	0	42	-2.0	-135.24	331.26	4.61	-130.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300005274614	0	37	-2.0	-123.65	327.75	10.61	-113.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C(C(F)F)C=C1C1CC1	REAL300005274615	0	40	-2.0	-123.27	349.52	9.05	-114.22
CCC(CC1=CC=CC(C)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274616	0	45	-2.0	-126.09	349.95	10.59	-115.50
CC(C)(C)OC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274617	0	43	-2.0	-131.09	332.32	8.83	-122.26
CC1=CC=C2OCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005274618	0	39	-2.0	-126.09	320.28	7.91	-118.18
COC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274619	0	42	-2.0	-126.76	351.76	8.53	-118.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(SC(F)F)C=C1	REAL300005274620	0	38	-2.0	-129.36	342.72	10.57	-118.79
COC1=CC=C(OC)C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274621	0	42	-2.0	-136.68	350.38	7.93	-128.75
CC1(C)CCC2=C(C1)C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=NO2	REAL300005274622	0	42	-2.0	-128.93	332.91	9.33	-119.60
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=C(C)C=C2)=N1	REAL300005274623	0	42	-2.0	-119.82	356.29	9.96	-109.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2CCCC2)=N1	REAL300005274624	0	42	-2.0	-132.46	352.84	9.00	-123.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2CC2)=N1	REAL300005274625	0	36	-2.0	-132.50	318.88	7.95	-124.55
CC1CCC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274626	0	43	-2.0	-127.19	339.48	9.05	-118.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1CCC2=CC=CC=C21	REAL300005274627	0	43	-2.0	-126.55	346.08	11.32	-115.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300005274628	0	32	-2.0	-125.46	292.59	8.28	-117.18
CC1(C)COC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274629	0	43	-2.0	-124.10	341.49	8.09	-116.01
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300005274630	0	38	-2.0	-118.29	303.92	8.31	-109.98
COC1=CC=C(CCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274631	0	50	-2.0	-125.10	405.53	10.38	-114.72
COC1=CC=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=C1	REAL300005274632	0	44	-2.0	-124.13	347.04	8.86	-115.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=CN=C2)C=C1	REAL300005274633	0	40	-2.0	-129.19	340.30	10.94	-118.25
CC1=NC(CN2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2)=CS1	REAL300005274634	0	47	-2.0	-126.20	384.84	7.11	-119.09
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCN(C)CC1	REAL300005274635	0	43	-2.0	-119.91	321.01	2.75	-117.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2(CCC2)CO1	REAL300005274636	0	44	-2.0	-125.59	343.70	9.16	-116.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2(CCOCC2)CO1	REAL300005274637	0	48	-2.0	-115.92	359.27	7.69	-108.23
CC1=CC(C)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1Br	REAL300005274638	0	42	-2.0	-123.07	352.60	10.94	-112.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2CCC(C1)S2	REAL300005274639	0	38	-2.0	-123.14	300.75	8.85	-114.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC=C1C(F)F	REAL300005274640	0	30	-2.0	-116.94	276.31	7.61	-109.33
COC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274641	0	47	-2.0	-124.52	384.02	9.57	-114.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300005274642	0	37	-2.0	-123.50	316.13	9.52	-113.98
CCOC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300005274643	0	53	-2.0	-124.58	427.73	11.41	-113.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(Br)C=C1	REAL300005274644	0	39	-2.0	-121.65	346.58	11.02	-110.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300005274645	0	37	-2.0	-125.80	328.53	9.80	-116.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=CC=CC=C1	REAL300005274646	0	42	-2.0	-123.63	346.77	11.18	-112.45
CC1=C2OC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1Cl	REAL300005274647	0	39	-2.0	-120.81	345.62	10.24	-110.57
CC1=CN2N=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2N=C1	REAL300005274648	0	35	-2.0	-135.11	297.19	7.25	-127.86
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274649	0	40	-2.0	-115.37	343.64	9.04	-106.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2(CCC2)O1	REAL300005274650	0	41	-2.0	-121.07	326.42	8.46	-112.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2(CCC2)C1	REAL300005274651	0	41	-2.0	-118.43	314.56	6.90	-111.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC(Br)=CC=C1F	REAL300005274652	0	34	-2.0	-125.60	319.38	9.95	-115.65
COC1=CC2=CC=C(C=CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005274653	0	44	-2.0	-130.62	368.70	10.87	-119.75
CCN1N=C(C2CC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274654	0	40	-2.0	-115.96	325.40	8.36	-107.60
CN1N=C2CCCC2=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274655	0	37	-2.0	-115.13	291.98	6.64	-108.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300005274656	0	50	-2.0	-126.28	415.05	12.90	-113.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2N=C1	REAL300005274657	0	35	-2.0	-129.71	298.89	8.04	-121.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2(C1)CC(F)(F)C2	REAL300005274658	0	37	-2.0	-112.17	313.75	9.22	-102.95
CCSC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274659	0	40	-2.0	-130.13	341.32	10.54	-119.59
C=CCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300005274660	0	46	-2.0	-126.61	386.52	10.03	-116.58
CCCCC1=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005274661	0	49	-2.0	-131.55	409.63	12.95	-118.60
CC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCCCC1	REAL300005274662	0	54	-2.0	-137.57	413.48	12.93	-124.64
CC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300005274663	0	37	-2.0	-127.85	332.81	10.49	-117.36
CC1=CC=CC(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300005274664	0	43	-2.0	-135.67	353.22	11.80	-123.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2=C(C=CS2)C1=O	REAL300005274665	0	39	-2.0	-132.95	334.11	10.15	-122.80
COC1=CC=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=NN21	REAL300005274666	0	37	-2.0	-133.75	308.48	6.15	-127.60
CC1CCC2=C(C1)C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=NN2	REAL300005274667	0	40	-2.0	-128.58	319.87	7.96	-120.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL300005274668	0	37	-2.0	-125.76	345.47	9.18	-116.58
CN1N=C2CCCCC2=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274669	0	40	-2.0	-118.47	321.94	8.00	-110.47
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274670	0	40	-2.0	-118.42	331.74	9.01	-109.41
CN1N=C(C(F)(F)F)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274671	0	33	-2.0	-106.77	293.08	6.42	-100.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(C2CC2)C=C1	REAL300005274672	0	46	-2.0	-124.86	374.51	12.50	-112.36
CCN1C=C(Cl)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274673	0	34	-2.0	-118.14	295.06	8.50	-109.64
COC1=CC(OC)=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274674	0	36	-2.0	-117.34	304.54	3.38	-113.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(CC2=CC=CC=C2)=C1	REAL300005274675	0	39	-2.0	-121.93	337.40	10.41	-111.52
COC1=CC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005274676	0	39	-2.0	-129.64	327.78	7.36	-122.28
CC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005274677	0	38	-2.0	-130.86	316.44	8.98	-121.88
CCN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300005274678	0	40	-2.0	-131.25	333.01	9.17	-122.08
CCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300005274679	0	36	-2.0	-122.83	316.01	9.54	-113.29
COC1=NC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274680	0	36	-2.0	-121.58	315.04	4.03	-117.55
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)S1	REAL300005274681	0	34	-2.0	-118.98	317.90	7.67	-111.31
CC1=NNC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C12	REAL300005274682	0	36	-2.0	-121.98	297.69	7.07	-114.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2(CCCC2)C1	REAL300005274683	0	44	-2.0	-113.22	326.13	7.86	-105.36
COC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1	REAL300005274684	0	38	-2.0	-122.65	316.01	7.82	-114.83
CC1=CC(C)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300005274685	0	39	-2.0	-152.29	324.84	6.82	-145.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC=CC2=N1	REAL300005274686	0	33	-2.0	-133.93	283.24	7.21	-126.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2N=CC=C2N1	REAL300005274686	1	33	-2.0	-108.36	284.81	5.60	-102.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCCCCC2)C=C1	REAL300005274687	0	48	-2.0	-129.83	356.44	9.30	-120.53
CC(SC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274688	0	37	-2.0	-119.09	321.47	9.36	-109.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)F)SC=C1	REAL300005274689	0	30	-2.0	-113.41	277.09	7.72	-105.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1	REAL300005274690	0	43	-2.0	-114.14	355.64	11.84	-102.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=CN=N2)O1	REAL300005274691	0	36	-2.0	-120.17	317.73	7.27	-112.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC=N2)N=C1	REAL300005274692	0	36	-2.0	-132.47	309.43	8.11	-124.36
CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005274693	0	36	-2.0	-121.73	317.84	9.89	-111.84
CC1=CC(C)=NN1CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274694	0	42	-2.0	-123.00	347.95	8.62	-114.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CC2=CC=CN=C21	REAL300005274695	0	34	-2.0	-138.65	291.34	7.99	-130.66
CC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCS(=O)(=O)N1	REAL300005274696	0	38	-2.0	-129.35	313.75	2.79	-126.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC2=CC(Cl)=CC=C21	REAL300005274697	0	35	-2.0	-114.41	312.21	8.63	-105.78
COC1=CC=CC(CC(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274698	0	46	-2.0	-124.42	367.43	9.98	-114.44
CC(C)C1CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300005274699	0	43	-2.0	-120.26	323.04	7.04	-113.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1CCOC2	REAL300005274700	0	38	-2.0	-120.60	299.06	7.65	-112.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCC(C(F)(F)F)O1	REAL300005274701	0	40	-2.0	-114.62	328.63	8.41	-106.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC(C2CC2)O1	REAL300005274702	0	41	-2.0	-119.81	331.24	8.81	-111.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300005274703	0	46	-2.0	-117.78	355.57	6.82	-110.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300005274704	0	46	-2.0	-127.31	370.66	9.99	-117.32
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300005274706	0	38	-2.0	-118.10	342.83	7.82	-110.28
COC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274707	0	39	-2.0	-119.93	330.82	6.28	-113.65
NC1=NC(C2CCCC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274708	0	43	-2.0	-113.83	345.29	7.17	-106.66
CN1C=NC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300005274709	0	39	-2.0	-134.45	335.75	9.83	-124.62
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274710	1	51	-2.0	-132.76	410.66	10.89	-121.87
CC1=CC=NC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274711	0	36	-2.0	-128.90	305.87	8.07	-120.83
CC1=CC(=O)C=C(C)N1CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274712	0	45	-2.0	-123.48	361.96	9.78	-113.70
CN1C=CC(NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300005274713	0	42	-2.0	-136.95	346.70	9.18	-127.77
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CN(C)N=C1	REAL300005274714	0	39	-2.0	-126.38	332.29	6.39	-119.99
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=NN(C)C=C1	REAL300005274715	0	39	-2.0	-131.22	332.92	7.59	-123.63
CCOC1=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N1	REAL300005274716	0	40	-2.0	-133.35	338.04	5.13	-128.22
CCC(CC)OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274717	0	46	-2.0	-129.75	362.20	10.04	-119.71
CC1=CC(F)=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005274718	0	36	-2.0	-124.75	315.08	9.57	-115.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1OC1CCCC1	REAL300005274719	0	47	-2.0	-131.96	376.16	11.05	-120.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC=C1OC1CCOC1	REAL300005274720	0	45	-2.0	-134.23	366.53	8.49	-125.74
CC1=CN2C=CN=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274721	0	36	-2.0	-133.25	307.66	9.41	-123.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300005274722	0	40	-2.0	-119.39	338.90	6.20	-113.19
CC(C)(C)CCC1(O)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274723	0	49	-2.0	-126.04	370.46	7.49	-118.55
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274724	0	36	-2.0	-120.38	314.28	9.30	-111.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300005274725	0	41	-2.0	-122.83	347.07	10.60	-112.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(F)=CC2=C1OCOC2	REAL300005274726	0	39	-2.0	-130.87	332.00	7.98	-122.89
CS(=O)(=O)NCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274727	0	41	-2.0	-132.27	366.06	4.62	-127.65
CS(=O)(=O)NCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274728	0	44	-2.0	-134.82	373.40	5.29	-129.53
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274729	0	36	-2.0	-127.08	313.48	1.99	-125.09
NS(=O)(=O)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274730	0	39	-2.0	-126.87	346.70	4.25	-122.62
CC1=NC(COC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NO1	REAL300005274731	0	42	-2.0	-130.10	359.81	6.49	-123.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CS2)=C1	REAL300005274732	0	33	-2.0	-122.95	305.50	8.72	-114.23
COCCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274733	0	43	-2.0	-123.58	356.25	5.11	-118.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=CC(Cl)=C1Cl	REAL300005274734	0	40	-2.0	-124.50	364.96	10.23	-114.27
NS(=O)(=O)C1=CN(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274735	0	38	-2.0	-124.62	341.25	1.62	-123.00
NS(=O)(=O)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274736	0	38	-2.0	-135.92	330.23	3.35	-132.57
NS(=O)(=O)C1=CN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274737	0	35	-2.0	-131.00	318.95	1.02	-129.98
NS(=O)(=O)C1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274738	0	39	-2.0	-128.40	345.46	3.29	-125.11
CC(C)CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005274739	0	38	-2.0	-121.71	314.13	8.52	-113.19
NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005274740	0	32	-2.0	-128.58	300.34	1.88	-126.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(N2C=NC=N2)=C1	REAL300005274741	0	35	-2.0	-128.66	307.41	9.55	-119.11
CC1=NC(S(=O)(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CN1C	REAL300005274742	0	41	-2.0	-139.60	360.00	3.38	-136.22
CC1=NC(S(=O)(=O)NCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CN1C	REAL300005274743	0	44	-2.0	-126.83	382.06	4.04	-122.79
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CC1=C(C)NC(=O)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274745	0	35	-2.0	-140.51	295.04	6.13	-134.38
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CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005274747	0	36	-2.0	-127.03	318.08	9.91	-117.12
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=CNN=C2C=C1	REAL300005274749	0	36	-2.0	-131.62	308.64	7.49	-124.13
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CC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005274751	0	36	-2.0	-126.69	314.91	9.83	-116.86
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CC1=CN2C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C=C1	REAL300005274755	0	36	-2.0	-129.72	298.50	8.57	-121.15
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2C=CC=CN12	REAL300005274756	0	36	-2.0	-140.83	304.38	9.99	-130.84
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CC1=CC=C2OC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=C1	REAL300005274759	0	41	-2.0	-129.24	331.15	9.73	-119.51
COC1=CC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2C=C1	REAL300005274760	0	37	-2.0	-123.50	306.90	7.20	-116.30
COC1=COC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC1=O	REAL300005274761	0	33	-2.0	-109.27	287.76	6.64	-102.63
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CC1=CSC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274763	0	35	-2.0	-126.93	310.40	7.30	-119.63
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1NC(=O)C=C2	REAL300005274768	0	36	-2.0	-143.17	308.18	7.14	-136.03
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274769	0	41	-2.0	-119.67	347.27	3.86	-115.81
COCCOC1=CN=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274770	0	40	-2.0	-129.33	332.18	5.26	-124.07
CNS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274771	0	37	-2.0	-124.61	324.69	1.82	-122.79
NS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274772	0	34	-2.0	-124.21	302.26	0.61	-123.60
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274773	0	40	-2.0	-125.60	343.59	3.64	-121.96
CN1C=NC(S(=O)(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274774	0	38	-2.0	-126.23	340.50	3.54	-122.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1	REAL300005274775	0	37	-2.0	-122.23	343.90	8.13	-114.10
CCC(C)(C)C1CCC2(CC2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274776	0	55	-2.0	-117.23	395.78	11.97	-105.26
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300005274777	0	41	-2.0	-128.51	334.33	9.13	-119.38
CC1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005274778	0	43	-2.0	-123.93	371.19	10.40	-113.53
CSCC1=NOC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274779	0	38	-2.0	-119.70	340.08	6.26	-113.44
COC1=CC(OC2CC2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274780	0	42	-2.0	-123.68	339.31	8.73	-114.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300005274781	0	40	-2.0	-121.21	342.85	9.96	-111.25
CC(C)(C)OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274782	0	42	-2.0	-122.25	332.43	8.26	-113.99
CC1=NC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005274783	0	37	-2.0	-122.03	314.84	7.57	-114.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300005274784	0	47	-2.0	-122.75	377.53	11.33	-111.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=NNN=C1	REAL300005274785	0	38	-2.0	-125.22	320.57	6.24	-118.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=CNN=N1	REAL300005274785	1	38	-2.0	-132.06	320.67	6.32	-125.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(Cl)=CC2=C1OCC2	REAL300005274786	0	38	-2.0	-128.66	334.94	9.13	-119.53
CCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N=N1	REAL300005274788	0	37	-2.0	-110.53	307.05	6.88	-103.65
CC1(CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)COC1	REAL300005274789	0	40	-2.0	-123.97	331.17	5.58	-118.39
COC1=CC=CC(OC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2)=C1	REAL300005274791	0	44	-2.0	-121.13	372.36	9.22	-111.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(N2C=CN=N2)=C1	REAL300005274792	0	35	-2.0	-120.17	302.95	5.94	-114.23
CC(C)(C)C(Br)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274793	0	35	-2.0	-119.10	293.93	7.86	-111.24
CC1CN(C2=CC=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)CC(C)O1	REAL300005274794	0	48	-2.0	-122.95	378.83	7.56	-115.39
CC1=CC(C)=NN1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274795	0	39	-2.0	-120.16	327.32	7.84	-112.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNS(=O)(=O)C1=CC=CN=C1	REAL300005274796	0	37	-2.0	-126.40	331.45	2.71	-123.69
CC1=CC=C(C(O)(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(F)(F)F)O1	REAL300005274797	0	40	-2.0	-116.21	347.90	6.96	-109.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(N1)SC=C2	REAL300005274798	0	31	-2.0	-117.48	276.78	7.60	-109.88
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=NN=CN1	REAL300005274799	0	35	-2.0	-123.55	307.86	10.47	-113.08
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=NNC=N1	REAL300005274799	1	35	-2.0	-138.15	307.16	10.30	-127.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CN=C2)N=C1	REAL300005274800	0	36	-2.0	-123.45	305.19	9.25	-114.20
CC1=NOC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005274801	0	34	-2.0	-117.65	295.30	5.12	-112.53
CCCN(CC)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274802	0	47	-2.0	-131.42	373.47	10.73	-120.69
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274803	0	51	-2.0	-134.62	406.85	12.80	-121.82
CCN(C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(C)C	REAL300005274804	0	47	-2.0	-131.22	362.86	10.22	-121.00
CCOC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300005274805	0	42	-2.0	-125.20	355.18	7.39	-117.81
CCCN(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274806	0	44	-2.0	-131.24	351.66	9.79	-121.45
CCCS(=O)(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274807	0	44	-2.0	-126.86	376.90	5.98	-120.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(CN2C=NC=N2)=C1	REAL300005274808	0	39	-2.0	-138.14	336.15	10.80	-127.34
CN1N=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300005274809	0	34	-2.0	-117.96	295.96	5.32	-112.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2=NNC=N2)=C1	REAL300005274810	0	36	-2.0	-138.12	312.79	8.60	-129.52
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)C=C1Cl	REAL300005274811	0	36	-2.0	-114.48	311.35	9.46	-105.02
CN1C=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300005274812	0	35	-2.0	-132.05	300.31	8.19	-123.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(NC2CC2)=N1	REAL300005274813	0	35	-2.0	-122.11	310.94	7.66	-114.45
CC1=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2N1C	REAL300005274814	0	39	-2.0	-133.14	324.85	8.78	-124.36
CC1=NN(C(C)CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274815	0	39	-2.0	-118.08	321.28	7.74	-110.34
CCNC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005274816	0	34	-2.0	-121.51	301.40	6.83	-114.68
CC1=CC=C2SN=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005274817	0	35	-2.0	-127.97	306.85	9.20	-118.77
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(S(N)(=O)=O)O1	REAL300005274818	0	35	-2.0	-114.42	311.04	1.56	-112.86
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300005274819	0	45	-2.0	-120.78	364.85	11.44	-109.34
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274820	0	47	-2.0	-129.52	375.24	12.19	-117.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCC1=CC=CC(Cl)=C1	REAL300005274821	0	37	-2.0	-127.05	333.39	9.34	-117.71
CC1=C(Br)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300005274822	0	33	-2.0	-125.20	290.66	7.01	-118.19
CN1N=C(C(F)F)C2=C1SC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300005274823	0	36	-2.0	-118.46	327.85	7.78	-110.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2CCOCC2)=N1	REAL300005274824	0	40	-2.0	-120.31	332.30	5.35	-114.96
CCC1=NC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NN1	REAL300005274825	0	42	-2.0	-131.78	356.17	9.09	-122.69
COCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005274826	0	41	-2.0	-118.54	352.72	7.72	-110.82
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NC(C2=CC=C(Cl)C=C2)=N1	REAL300005274827	0	41	-2.0	-121.05	358.23	11.01	-110.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCS(=O)(=O)C1	REAL300005274828	0	39	-2.0	-117.12	321.09	5.05	-112.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2CCOCC2)N=N1	REAL300005274829	0	40	-2.0	-122.77	328.97	5.69	-117.08
CC(C)C1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300005274830	0	46	-2.0	-112.62	343.18	8.49	-104.13
CCC1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300005274831	0	43	-2.0	-111.50	336.89	8.17	-103.33
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1=CC=C(F)C=C1F	REAL300005274832	0	42	-2.0	-128.67	365.09	9.24	-119.43
NC1=NC(C2CC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274833	0	37	-2.0	-113.29	311.83	6.36	-106.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2CCOCC2=CO1	REAL300005274834	0	35	-2.0	-121.27	291.47	6.65	-114.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1	REAL300005274835	0	43	-2.0	-130.51	366.02	8.21	-122.30
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CN(C)N=C1	REAL300005274836	0	37	-2.0	-121.22	308.69	5.58	-115.64
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(NCC(F)(F)F)=N1	REAL300005274837	0	40	-2.0	-121.78	349.73	7.47	-114.31
CN1N=CC2=C1N=C(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])NC2=O	REAL300005274838	0	41	-2.0	-118.26	351.59	6.79	-111.47
COC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300005274839	0	38	-2.0	-124.71	322.65	5.91	-118.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(O)C(F)=C1	REAL300005274840	0	34	-2.0	-120.34	299.62	6.01	-114.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=NC=C2)=C1	REAL300005274841	0	35	-2.0	-119.66	309.21	7.80	-111.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=C(Br)C=C12	REAL300005274842	0	37	-2.0	-136.46	335.48	9.50	-126.96
COC1=CC=CC=C1C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005274843	0	40	-2.0	-129.06	344.88	8.97	-120.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)CCC1=CC=CC=C1	REAL300005274844	0	40	-2.0	-123.35	330.21	7.64	-115.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300005274845	0	33	-2.0	-115.75	291.66	6.77	-108.98
CS(=O)(=O)NC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300005274846	0	38	-2.0	-135.57	344.93	5.06	-130.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC=N2)S1	REAL300005274847	0	35	-2.0	-122.74	314.39	7.08	-115.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=CN=C2)N=N1	REAL300005274848	0	35	-2.0	-120.98	305.50	9.09	-111.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300005274849	0	40	-2.0	-137.70	351.59	9.66	-128.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300005274850	0	41	-2.0	-128.65	363.40	11.21	-117.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL300005274851	1	41	-2.0	-127.59	338.11	8.26	-119.33
CN1C=CN=C1CNC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274852	0	45	-2.0	-134.82	368.69	8.66	-126.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300005274853	0	43	-2.0	-119.65	353.75	6.83	-112.82
CCOCCS(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274854	0	41	-2.0	-128.48	355.84	2.21	-126.27
CC1=CN2C=CN=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=N1	REAL300005274855	0	35	-2.0	-136.24	300.72	8.53	-127.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(N2CCOCC2)=C1	REAL300005274856	0	42	-2.0	-125.82	336.06	4.59	-121.23
COC1=CC=CC=C1N1N=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274857	0	44	-2.0	-130.46	358.67	8.71	-121.75
CN(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NC2=CC=CC=C21	REAL300005274858	0	43	-2.0	-129.80	351.65	9.18	-120.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2CCOC2)C=C1	REAL300005274859	0	42	-2.0	-127.83	343.31	7.46	-120.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Br)C(Cl)=C1	REAL300005274860	0	33	-2.0	-120.51	318.51	9.85	-110.66
CC1=C(Br)C=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274861	0	36	-2.0	-123.45	315.68	9.78	-113.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL300005274862	0	41	-2.0	-120.13	357.14	8.13	-112.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300005274863	0	36	-2.0	-133.29	322.45	10.22	-123.07
CN(C)C1=CC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274864	0	44	-2.0	-126.96	354.97	10.00	-116.96
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(Br)C(=O)N1	REAL300005274865	0	33	-2.0	-109.36	302.23	5.78	-103.58
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N(C)CC(F)(F)F	REAL300005274866	0	37	-2.0	-122.36	297.32	5.21	-117.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(N2CCOCC2)CC1	REAL300005274867	1	49	-2.0	-124.16	367.91	6.38	-117.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=CC2=NNN=C21	REAL300005274868	0	32	-2.0	-116.98	278.32	5.12	-111.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NN=NC2=CC(F)=C1	REAL300005274868	1	32	-2.0	-105.31	276.72	5.02	-100.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CN=CN1CC1=CC=CC=C1	REAL300005274869	0	43	-2.0	-129.59	359.93	11.64	-117.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(CO)C1=CC=CC=C1	REAL300005274870	0	37	-2.0	-131.13	310.10	5.98	-125.15
NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)(F)F	REAL300005274871	0	36	-2.0	-126.91	311.86	5.46	-121.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(Cl)C=C1	REAL300005274872	0	34	-2.0	-118.79	296.33	6.42	-112.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(F)C2=CC=CC=C12	REAL300005274873	0	36	-2.0	-131.04	308.75	10.14	-120.90
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005274874	0	33	-2.0	-117.95	289.24	8.87	-109.08
CC(C)CC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274875	0	48	-2.0	-125.61	378.84	11.80	-113.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC(O)=CC=C21	REAL300005274876	0	37	-2.0	-138.17	314.20	7.28	-130.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCN1C=NC2=CC=CC=C21	REAL300005274877	0	42	-2.0	-123.77	352.59	11.16	-112.61
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1O	REAL300005274878	0	39	-2.0	-128.24	326.82	4.83	-123.41
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005274879	0	45	-2.0	-129.77	380.37	10.97	-118.80
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300005274880	0	48	-2.0	-133.16	395.09	12.36	-120.80
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CC=C2C1	REAL300005274881	0	37	-2.0	-117.24	302.93	9.76	-107.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)C=C1O	REAL300005274882	0	34	-2.0	-110.68	302.40	6.63	-104.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005274882	1	33	-3.0	-213.81	301.41	7.43	-206.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(C(F)(F)F)CC1	REAL300005274883	0	39	-2.0	-118.98	309.45	8.19	-110.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(Cl)=CC=C1Br	REAL300005274884	0	33	-2.0	-117.36	316.38	9.75	-107.61
CC(NS(C)(=O)=O)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274885	0	34	-2.0	-130.23	291.33	1.00	-129.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H](O)C1=CC=CC=C1Cl	REAL300005274886	0	34	-2.0	-112.84	295.03	6.32	-106.52
CC(C)(C)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274887	0	45	-2.0	-127.64	358.60	11.13	-116.51
C[C@@H](OCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274888	0	40	-2.0	-118.40	330.79	9.31	-109.09
NC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005274889	0	32	-2.0	-120.76	300.72	6.72	-114.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC1=CC=CC(C(F)(F)F)=C1	REAL300005274890	0	38	-2.0	-116.53	333.98	8.03	-108.50
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274891	0	38	-2.0	-115.86	319.38	6.92	-108.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=NN1	REAL300005274892	0	30	-2.0	-111.91	275.29	5.88	-106.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C(F)(F)F)=C1	REAL300005274892	1	30	-2.0	-113.15	279.12	5.94	-107.21
CC1=CC=CN2C=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C12	REAL300005274893	0	39	-2.0	-146.84	329.97	9.97	-136.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300005274894	0	36	-2.0	-139.42	341.97	10.35	-129.07
CC1=NC=CN1CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274895	0	39	-2.0	-123.13	325.54	8.96	-114.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCN1CCOCC1	REAL300005274896	0	45	-2.0	-122.61	353.71	5.87	-116.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2COCC(C1)C2=O	REAL300005274898	0	40	-2.0	-121.12	305.99	7.24	-113.88
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC1=CC=NC=C1	REAL300005274899	0	43	-2.0	-132.15	361.62	9.64	-122.51
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C	REAL300005274900	0	40	-2.0	-129.11	330.64	10.53	-118.58
CC(OC1=CC=CN=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274901	0	36	-2.0	-120.62	298.87	6.78	-113.84
CCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005274902	0	42	-2.0	-137.00	352.32	10.44	-126.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1	REAL300005274903	0	47	-2.0	-117.94	375.74	10.54	-107.40
CNS(=O)(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005274904	0	43	-2.0	-118.49	343.53	2.17	-116.32
COCCOC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NC2=CC=CC=C21	REAL300005274905	0	46	-2.0	-130.18	381.87	8.91	-121.27
COC1=CC=CC(C2=NC(C)=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2)=C1	REAL300005274906	0	44	-2.0	-118.91	361.65	8.87	-110.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300005274907	0	39	-2.0	-125.61	343.06	9.73	-115.88
CC1=CC=C(C2=CN=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005274908	0	42	-2.0	-130.00	347.69	9.89	-120.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2CCC2)=N1	REAL300005274909	0	36	-2.0	-121.55	304.14	6.78	-114.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(CN2C=NN=N2)CCCCC1	REAL300005274910	0	47	-2.0	-107.14	354.15	9.53	-97.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(Cl)C=C1F	REAL300005274911	0	34	-2.0	-124.74	302.84	6.61	-118.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300005274912	0	34	-2.0	-117.02	315.53	6.72	-110.30
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1N1CCOCC1	REAL300005274913	0	46	-2.0	-133.84	364.76	7.88	-125.96
CN1C=C(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])O2)C=N1	REAL300005274914	0	37	-2.0	-121.58	324.25	8.30	-113.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(CN2C=CC=N2)=C1	REAL300005274917	0	36	-2.0	-127.36	318.36	7.63	-119.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300005274918	0	48	-2.0	-130.09	387.78	12.68	-117.41
CC1=NN(CC(F)(F)F)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274919	0	36	-2.0	-111.70	313.95	7.34	-104.36
COC1=CC=CC(C(C)CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274920	0	49	-2.0	-125.43	390.55	10.79	-114.64
CC1CC2=C(NN=C2)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274921	0	40	-2.0	-124.60	316.36	7.31	-117.29
CC1CC2=CNN=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005274921	1	40	-2.0	-134.46	320.80	7.20	-127.26
CC1=NOC(C2(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2)=C1	REAL300005274922	0	36	-2.0	-111.63	303.77	8.03	-103.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CNC(=O)C=C1	REAL300005274923	0	36	-2.0	-118.56	308.38	6.48	-112.08
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005274924	0	36	-2.0	-132.54	305.40	6.40	-126.14
CN1N=CC2=C1CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005274925	0	40	-2.0	-123.11	324.60	7.97	-115.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(O)C=C1	REAL300005274926	0	37	-2.0	-123.67	314.80	6.74	-116.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=NC=CC=C2C=C1	REAL300005274927	0	34	-2.0	-137.01	293.33	8.43	-128.58
CCS(=O)(=O)NC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274928	0	37	-2.0	-130.62	312.88	1.87	-128.75
CC1=NN(C)C2=NC(C)=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(C)=C12	REAL300005274929	0	47	-2.0	-126.16	376.17	9.31	-116.85
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274930	0	45	-2.0	-132.43	375.76	10.57	-121.86
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=N1	REAL300005274931	0	43	-2.0	-130.41	348.40	10.57	-119.84
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CN=C1	REAL300005274932	0	43	-2.0	-126.70	349.25	9.74	-116.96
CCS(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274933	0	34	-2.0	-131.10	300.32	2.17	-128.93
CS(=O)(=O)NCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274934	0	34	-2.0	-120.40	300.91	1.96	-118.44
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274935	0	52	-2.0	-124.99	408.78	9.58	-115.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300005274936	0	39	-2.0	-124.39	348.86	10.19	-114.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)F)C=C1	REAL300005274937	0	33	-2.0	-123.92	286.12	8.61	-115.31
CC1CCN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=N2)CC1	REAL300005274938	0	47	-2.0	-129.08	363.49	8.85	-120.23
COC1=CC=C(CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=N2)C=C1	REAL300005274939	0	44	-2.0	-128.19	367.33	8.54	-119.65
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CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N(C)CC1=CC=CC=C1	REAL300005274950	1	44	-2.0	-121.92	348.86	8.00	-113.92
CC(C)CC1=CC=C([C@H](C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005274951	0	48	-2.0	-115.20	376.04	11.87	-103.33
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC=C2)N1	REAL300005274956	1	37	-2.0	-117.79	314.32	9.04	-108.75
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1	REAL300005274960	0	39	-2.0	-127.82	348.33	10.39	-117.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C2CCCCC2=C1	REAL300005274961	0	50	-2.0	-125.31	396.48	11.70	-113.61
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=C(Cl)C=CC=C12	REAL300005274962	0	37	-2.0	-120.13	320.66	9.62	-110.51
COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=C1	REAL300005274963	0	46	-2.0	-130.91	384.47	10.36	-120.55
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC(Cl)=CC=C2N1	REAL300005274964	0	37	-2.0	-134.87	329.54	8.39	-126.48
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCCCC1	REAL300005274965	0	46	-2.0	-122.46	355.87	9.30	-113.16
CCCCN1N=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274966	0	42	-2.0	-121.46	336.64	8.26	-113.20
CCCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300005274967	0	42	-2.0	-116.42	339.30	8.36	-108.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274968	0	36	-3.0	-210.94	320.96	3.67	-207.27
CS(=O)(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274968	1	37	-2.0	-134.13	321.03	3.82	-130.31
COC1=CC=CN=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274969	0	36	-2.0	-136.75	305.74	6.29	-130.46
CN1N=NC2=C1CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005274970	0	39	-2.0	-119.00	318.67	6.66	-112.34
CN1C=C2C(=N1)CCCC2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274971	0	40	-2.0	-118.78	327.89	8.08	-110.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300005274972	0	37	-2.0	-124.17	346.85	12.18	-111.99
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274973	0	37	-2.0	-112.90	324.51	9.31	-103.59
CN(C)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005274974	1	40	-2.0	-126.81	328.53	5.24	-121.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C(C(F)(F)F)C2=C1CCOC2	REAL300005274975	0	41	-2.0	-116.94	358.88	7.13	-109.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300005274976	0	43	-2.0	-128.16	363.06	9.19	-118.97
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1=CC=CC=N1	REAL300005274977	0	46	-2.0	-133.40	373.00	10.39	-123.01
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005274978	0	47	-2.0	-111.85	381.29	8.12	-103.73
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300005274979	0	39	-2.0	-125.88	323.24	8.99	-116.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(CN2CCOCC2)=C1	REAL300005274980	0	46	-2.0	-127.63	365.89	6.75	-120.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=NNC=N2)=N1	REAL300005274982	0	35	-2.0	-143.96	322.82	6.82	-137.14
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274983	0	47	-2.0	-139.92	390.18	10.87	-129.05
CCN1N=C(C)C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005274984	0	42	-2.0	-124.17	346.08	8.43	-115.74
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300005274985	0	42	-2.0	-123.94	358.39	6.64	-117.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCCNC2=N1	REAL300005274986	0	35	-2.0	-132.14	293.01	7.73	-124.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C(Cl)C=N1	REAL300005274987	0	30	-2.0	-125.32	279.64	6.66	-118.66
CN(C)S(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274988	0	36	-2.0	-126.86	313.59	1.70	-125.16
CC(C)C1=NC=CN1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274989	0	39	-2.0	-121.41	325.53	8.71	-112.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CC2)NC1=O	REAL300005274990	0	36	-2.0	-133.28	305.66	6.43	-126.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005274990	1	35	-3.0	-217.20	295.43	6.24	-210.96
CC(C)(C)OCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005274991	0	42	-2.0	-123.46	345.54	7.79	-115.67
CC=CCOC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274992	0	44	-2.0	-131.84	368.35	10.45	-121.39
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1CCC(C)C	REAL300005274993	0	45	-2.0	-121.36	354.21	8.76	-112.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC(Br)=C2C=C1	REAL300005274994	0	36	-2.0	-129.35	316.47	10.41	-118.94
CC(C)CC1=CC=CC(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274995	0	48	-2.0	-128.00	376.97	11.72	-116.28
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005274996	0	40	-2.0	-120.39	336.92	9.44	-110.95
COCCOC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005274997	0	44	-2.0	-136.41	367.37	8.28	-128.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300005274998	0	34	-2.0	-123.88	297.45	7.33	-116.55
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300005274999	0	40	-2.0	-128.79	341.74	10.17	-118.62
CC(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005275000	0	46	-2.0	-135.98	369.33	11.10	-124.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300005275001	0	42	-2.0	-130.98	360.71	9.58	-121.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C2CCCC2=C1	REAL300005275003	0	47	-2.0	-125.60	379.29	11.11	-114.49
CN1C=C(CNC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=N1	REAL300005275004	0	45	-2.0	-131.33	376.10	8.10	-123.23
CC1=NN(C(C)C)C(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275005	0	45	-2.0	-129.95	365.67	9.09	-120.86
CCSCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005275006	0	36	-2.0	-123.82	321.91	8.73	-115.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1	REAL300005275008	0	52	-2.0	-130.17	413.09	12.55	-117.62
NC1=C2N=CN(CCCCC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=NC=N1	REAL300005275009	0	45	-2.0	-124.67	378.88	9.76	-114.91
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCOC(CC)C1	REAL300005275010	0	48	-2.0	-128.17	359.64	6.33	-121.84
CCN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1Cl	REAL300005275011	0	44	-2.0	-124.06	361.52	8.96	-115.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCN(CC(F)(F)F)CC1	REAL300005275012	0	44	-2.0	-121.11	354.07	7.80	-113.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(CC(F)F)C1	REAL300005275014	0	41	-2.0	-129.20	322.78	6.32	-122.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=C1NN=N2	REAL300005275015	0	36	-2.0	-110.88	296.19	5.47	-105.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=NC=CN1)C1=CC=CC=C1	REAL300005275016	0	43	-2.0	-131.19	351.54	9.88	-121.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=CC(O)=CC=C12	REAL300005275017	0	34	-2.0	-119.98	292.72	5.31	-114.67
COC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1S(N)(=O)=O	REAL300005275018	0	43	-2.0	-132.03	375.43	4.09	-127.94
CC1CN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=N2)CC(C)O1	REAL300005275019	0	48	-2.0	-127.90	376.14	7.27	-120.63
CC1CN(CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC(C)O1	REAL300005275020	0	52	-2.0	-127.24	404.27	8.59	-118.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300005275021	0	39	-2.0	-129.71	326.34	9.21	-120.50
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300005275022	0	40	-2.0	-139.75	349.58	9.84	-129.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300005275023	0	40	-2.0	-137.81	339.05	10.20	-127.61
CC(OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300005275024	0	46	-2.0	-126.07	380.09	9.18	-116.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H](O)CC1=CC=CC=C1	REAL300005275025	0	37	-2.0	-114.44	308.55	6.92	-107.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300005275026	0	37	-2.0	-125.58	316.61	6.95	-118.63
COC1=CC(C)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275027	0	37	-2.0	-126.27	303.61	8.34	-117.93
CC1=CC=C(F)C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275028	0	36	-2.0	-133.95	309.58	9.54	-124.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(O)=CC=C1Cl	REAL300005275029	0	31	-2.0	-115.04	278.87	5.35	-109.69
CC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C3=C2CCC3)C(C)=C1	REAL300005275030	0	50	-2.0	-139.09	404.18	13.00	-126.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CN(CC2=CC=CC=C2)CCO1	REAL300005275031	0	49	-2.0	-116.35	389.75	8.45	-107.90
COC1=CC=C(NC2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300005275032	0	42	-2.0	-122.53	364.41	8.77	-113.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=CC=NN21	REAL300005275033	0	33	-2.0	-137.97	276.00	8.18	-129.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=CC(=O)N2N=C1	REAL300005275034	0	33	-2.0	-128.34	283.62	5.49	-122.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C=CC=NN12	REAL300005275035	0	32	-2.0	-125.71	267.84	7.26	-118.45
CC1=CC(C(F)(F)F)=NN1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275036	0	36	-2.0	-128.02	325.56	7.62	-120.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC(F)(F)F)=C1	REAL300005275037	0	37	-2.0	-129.55	323.00	8.36	-121.19
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300005275038	0	43	-2.0	-124.02	351.80	10.07	-113.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300005275039	0	37	-2.0	-123.91	325.01	6.68	-117.23
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275040	0	50	-2.0	-121.61	385.71	10.26	-111.35
COCCNS(=O)(=O)C1=CNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275041	0	43	-2.0	-118.55	372.80	2.43	-116.12
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300005275042	0	46	-3.0	-243.51	382.57	9.63	-233.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300005275043	0	46	-3.0	-238.91	383.67	9.65	-229.26
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275044	0	50	-2.0	-122.13	384.66	10.19	-111.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(OCC2=CC=CC=C2)C1	REAL300005275045	0	44	-2.0	-128.01	357.48	9.84	-118.17
CC(OC1=CC=CC(CO)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275046	0	41	-2.0	-129.72	336.25	5.93	-123.79
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=NC=C1	REAL300005275047	0	39	-2.0	-119.01	322.44	7.39	-111.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=CC(Br)=C12	REAL300005275048	0	37	-2.0	-128.36	330.24	9.27	-119.09
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CN(C)C2=CC=CC=C12	REAL300005275049	0	43	-2.0	-132.99	352.69	10.86	-122.13
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(C2=CC(C)=CC=C2)=N1	REAL300005275051	0	43	-2.0	-119.10	353.59	10.23	-108.87
CC1=NC2=CC=CC=C2N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275052	0	39	-2.0	-123.30	329.50	9.59	-113.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2OC(F)(F)OC2=C1	REAL300005275053	0	36	-2.0	-114.55	321.89	7.89	-106.66
NS(=O)(=O)N1CCCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005275054	0	40	-2.0	-123.47	332.48	1.94	-121.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC(Br)=CC=C12	REAL300005275055	0	37	-2.0	-132.13	335.38	9.49	-122.64
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275056	0	44	-2.0	-122.84	361.77	4.81	-118.03
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1OCCC2=C1C=CS2	REAL300005275057	0	41	-2.0	-119.52	339.45	9.28	-110.24
NC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NC(N2CCOCC2)=N1	REAL300005275058	0	42	-2.0	-127.50	345.19	7.54	-119.96
CC1=CN2C=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=N1	REAL300005275059	0	36	-2.0	-124.12	309.68	8.97	-115.15
CNC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275060	0	35	-2.0	-119.63	302.84	7.00	-112.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(CN2CCCC2)=C1	REAL300005275061	0	41	-2.0	-122.09	336.46	6.52	-115.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=C1C(=O)CCC2	REAL300005275063	0	36	-2.0	-137.15	297.33	8.53	-128.62
CC(C)CC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275064	0	46	-2.0	-128.54	374.31	11.99	-116.55
CS(=O)(=O)NC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275065	0	41	-2.0	-126.81	355.77	5.52	-121.29
CC1=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)S1	REAL300005275066	0	35	-2.0	-132.52	308.64	7.17	-125.35
CNC1=NC(C)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275067	0	37	-2.0	-117.67	307.79	6.76	-110.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CN(CC2=CC=CC=C2)CCO1	REAL300005275068	0	46	-2.0	-126.68	363.47	7.35	-119.33
COC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1O	REAL300005275069	0	42	-2.0	-125.29	351.85	5.79	-119.50
COCCS(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275070	0	36	-2.0	-130.30	319.03	2.77	-127.53
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OCCO	REAL300005275071	0	42	-2.0	-132.39	348.92	4.75	-127.64
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C2NC=NC2=NC=N1	REAL300005275072	0	39	-2.0	-125.61	323.94	7.49	-118.12
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C2N=CNC2=NC=N1	REAL300005275072	1	39	-2.0	-134.51	325.52	7.65	-126.86
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=C2N=CN=C2NC=N1	REAL300005275072	1	39	-2.0	-124.76	328.85	9.53	-115.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=CC=N1	REAL300005275073	0	38	-2.0	-130.64	319.45	8.59	-122.05
CC1=CC=CC(COC2=CC=CC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300005275074	0	50	-2.0	-134.01	415.06	12.73	-121.28
CC(C)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275075	0	40	-2.0	-129.36	322.32	6.93	-122.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCCC2)C(F)=C1	REAL300005275076	0	42	-2.0	-127.86	333.26	8.16	-119.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300005275077	0	43	-2.0	-124.25	351.53	6.87	-117.38
COC1=CC=CC(C(O)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275079	0	38	-2.0	-131.21	307.14	5.23	-125.98
COCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC=N1	REAL300005275080	0	33	-2.0	-115.84	291.09	4.52	-111.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=NNN=C2C=C1	REAL300005275081	0	31	-2.0	-121.83	271.99	5.57	-116.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=CC=C1Cl	REAL300005275082	0	39	-2.0	-127.08	337.90	10.74	-116.34
CC(C)(C)N1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275083	0	38	-2.0	-124.93	316.11	6.82	-118.11
CC1=CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC2=C1	REAL300005275084	0	37	-2.0	-125.97	311.78	10.03	-115.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(OC(F)F)=C1	REAL300005275085	0	33	-2.0	-124.96	295.19	5.11	-119.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CC=CN=C2S1	REAL300005275086	0	31	-2.0	-125.83	280.62	5.37	-120.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC(F)(F)F)N=C1	REAL300005275087	0	33	-2.0	-128.28	296.52	6.84	-121.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=NC=CN2N=C1	REAL300005275088	0	32	-2.0	-121.53	274.16	5.58	-115.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NNN=C2N=C1	REAL300005275089	0	31	-2.0	-122.02	266.94	4.09	-117.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CC=NN2N=C1	REAL300005275090	0	32	-2.0	-128.94	275.84	5.69	-123.25
CN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC(F)=CC=C21	REAL300005275091	0	37	-2.0	-128.74	313.04	9.43	-119.31
COC1=CC=C2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275092	0	41	-2.0	-123.52	335.48	9.06	-114.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2CCCCC2)=N1	REAL300005275093	0	42	-2.0	-125.97	346.99	9.86	-116.11
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2CCCCC2)=N1	REAL300005275094	0	45	-2.0	-115.87	361.20	9.49	-106.38
COC1=CC=C2ON=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275095	0	39	-2.0	-134.17	335.28	7.39	-126.78
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275096	0	44	-2.0	-128.36	377.98	6.78	-121.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC=C1N1CCOCC1	REAL300005275097	0	49	-2.0	-126.88	389.12	9.02	-117.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(O)C1=CC=C(Cl)C=C1	REAL300005275098	0	37	-2.0	-124.19	327.16	7.64	-116.55
CC1(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005275099	0	44	-2.0	-120.86	351.67	9.55	-111.31
COCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275100	0	36	-2.0	-129.12	312.98	4.85	-124.27
COC1=CC=CC(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)=C1	REAL300005275101	0	40	-2.0	-128.43	341.97	7.53	-120.90
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300005275102	0	42	-2.0	-127.38	339.92	10.55	-116.83
CNC1=NC=NC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005275103	0	39	-2.0	-135.13	327.71	7.93	-127.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC(Br)=CC=C2O1	REAL300005275104	0	35	-2.0	-120.89	312.47	8.73	-112.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275105	0	40	-3.0	-231.74	350.35	8.64	-223.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NCC2=CSC=C2)C=C1	REAL300005275106	0	42	-2.0	-129.59	358.15	9.24	-120.35
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCSCC1	REAL300005275107	0	39	-2.0	-124.81	315.61	6.54	-118.27
CC(C)CC1=CC=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275108	0	51	-2.0	-124.68	406.43	13.08	-111.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NCC2CC2)N=C1	REAL300005275109	0	41	-2.0	-128.79	334.86	7.82	-120.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005275110	0	37	-3.0	-237.48	328.74	7.77	-229.71
CC(C)(C)SC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300005275111	0	42	-2.0	-124.40	343.25	10.00	-114.40
COC1=CC=C(COCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275112	0	47	-2.0	-126.16	388.82	8.98	-117.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=NC=CN2)=C1	REAL300005275114	0	36	-2.0	-129.72	312.49	6.37	-123.35
CN(CCC1=CC=CC=C1)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275115	1	44	-2.0	-124.50	355.56	8.67	-115.83
CC1=CN(C2CCOCC2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275117	0	44	-2.0	-127.65	351.17	7.79	-119.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NC2=C1CCCC2	REAL300005275118	0	39	-2.0	-122.06	321.38	7.27	-114.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CN2C=CN=C12	REAL300005275120	0	32	-2.0	-134.96	278.81	7.93	-127.03
COCCOCCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300005275121	0	44	-2.0	-127.05	370.57	6.20	-120.85
COCCOCCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300005275121	1	44	-2.0	-115.49	368.45	5.81	-109.68
CC1=NC(C2CC2)=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275122	0	39	-2.0	-117.05	320.11	8.61	-108.44
NS(=O)(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275123	0	40	-2.0	-122.45	332.67	1.95	-120.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNS(=O)(=O)C1=CC=CN=C1	REAL300005275124	0	40	-2.0	-123.61	353.51	3.34	-120.27
CN(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275125	0	37	-2.0	-130.84	300.60	7.40	-123.44
CC1=NNC(C)=C1C(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275127	0	39	-2.0	-122.89	308.80	6.40	-116.49
COC1=CC(C)=CN=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275129	0	36	-2.0	-131.60	300.83	7.97	-123.63
CC(C)(C)C1=CN=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275130	0	44	-2.0	-125.61	362.27	7.05	-118.56
CSC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275131	0	37	-2.0	-130.34	320.38	9.74	-120.60
CCC1=NN(C)C(CC)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275132	0	45	-2.0	-128.05	362.17	8.86	-119.19
CCSC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275133	0	40	-2.0	-126.06	344.08	10.68	-115.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC=CC(O)=C21	REAL300005275134	0	37	-2.0	-125.68	309.45	8.21	-117.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300005275135	0	36	-2.0	-130.67	305.92	7.66	-123.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005275135	1	35	-3.0	-237.49	302.35	8.67	-228.82
CC1=CC=CC(Cl)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275136	0	36	-2.0	-126.68	313.42	9.69	-116.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2OCCCN2N=C1	REAL300005275137	0	35	-2.0	-128.54	288.24	4.85	-123.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CN=CN2C=C1	REAL300005275138	0	33	-2.0	-122.80	288.26	9.26	-113.54
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300005275139	0	34	-2.0	-126.80	302.55	5.23	-121.57
CC(C)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275140	0	38	-2.0	-126.74	308.99	8.92	-117.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC(F)F)C=N1	REAL300005275141	0	33	-2.0	-124.65	291.40	6.76	-117.89
CCC1=CC=CC=C1N1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275142	0	42	-2.0	-128.01	346.97	9.71	-118.30
CC1=CC(F)=CC=C1N1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275143	0	39	-2.0	-121.69	336.06	8.92	-112.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=COC2=CC(F)=CC=C12	REAL300005275144	0	36	-2.0	-119.44	316.62	9.21	-110.23
CN(C)S(=O)(=O)N(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275145	0	39	-2.0	-136.57	333.59	3.64	-132.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300005275146	0	44	-2.0	-135.94	368.97	8.49	-127.45
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275147	0	42	-2.0	-139.37	357.11	6.74	-132.63
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CC=C2C)=N1	REAL300005275148	0	42	-2.0	-121.53	353.21	10.36	-111.17
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275149	0	41	-2.0	-111.76	347.58	8.14	-103.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300005275150	0	38	-2.0	-118.59	334.01	10.45	-108.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1	REAL300005275151	0	46	-2.0	-128.31	386.41	10.37	-117.94
CC(OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300005275152	0	47	-2.0	-129.93	386.68	11.78	-118.15
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275153	0	55	-2.0	-124.66	430.00	12.28	-112.38
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCSC1	REAL300005275154	1	39	-2.0	-120.10	316.96	6.61	-113.49
CC(C)CN1C=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300005275155	0	46	-2.0	-131.61	358.14	11.32	-120.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300005275156	0	37	-2.0	-127.55	352.47	10.82	-116.73
CC1=CC=CC=C1N1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275157	0	39	-2.0	-126.86	329.66	8.84	-118.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300005275158	0	40	-2.0	-139.92	350.64	11.46	-128.46
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C(C)C)O1	REAL300005275159	0	38	-2.0	-122.67	316.02	6.84	-115.83
CC(OCC1=CC=NC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275160	0	39	-2.0	-122.52	326.46	7.15	-115.37
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275161	0	37	-2.0	-118.37	313.89	9.36	-109.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC(O)CO)N=C1	REAL300005275162	0	38	-2.0	-133.13	321.60	0.59	-132.54
CCC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005275163	0	38	-2.0	-134.74	318.75	8.54	-126.20
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=C1CCCC2	REAL300005275164	0	40	-2.0	-132.97	320.89	8.65	-124.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CO)=N1	REAL300005275165	0	30	-2.0	-126.41	275.62	3.29	-123.12
CCON1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275166	0	45	-2.0	-121.03	347.56	7.05	-113.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300005275167	0	36	-2.0	-116.26	305.41	8.38	-107.88
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275171	0	47	-2.0	-128.42	367.84	10.20	-118.22
CC1=NN(C)C2=NC(C)=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005275173	0	41	-2.0	-115.86	342.38	8.10	-107.76
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=NC=CC(C)=C12	REAL300005275174	0	38	-2.0	-126.36	314.02	8.34	-118.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC1=CC=CC(Cl)=C1	REAL300005275176	0	35	-2.0	-118.29	312.02	7.58	-110.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300005275178	0	36	-2.0	-116.26	320.54	9.49	-106.77
CC(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275180	0	38	-2.0	-130.03	323.69	9.22	-120.81
CN1C=C(S(=O)(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275181	0	38	-2.0	-121.55	341.01	2.17	-119.38
CN1C=C(C2=CN=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300005275182	0	39	-2.0	-123.40	330.76	7.35	-116.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC2=CC=CNC2=N1	REAL300005275183	0	38	-2.0	-155.36	323.90	7.77	-147.59
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCC2=CC=CC=C2C1	REAL300005275184	0	45	-2.0	-127.29	344.94	8.26	-119.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CN2C=CN=C12	REAL300005275185	0	32	-2.0	-134.96	278.81	7.93	-127.03
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCN(C2=CC=C(F)C=C2)CC1	REAL300005275186	0	50	-2.0	-128.17	390.55	7.62	-120.55
CC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1C	REAL300005275187	0	37	-2.0	-123.16	307.44	6.47	-116.69
CC1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300005275188	0	38	-2.0	-129.97	318.90	10.02	-119.95
CC1=CN=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275189	0	38	-2.0	-125.32	320.08	8.48	-116.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CN=CC=C2S1	REAL300005275190	0	31	-2.0	-119.70	285.46	6.67	-113.03
COC1=CC=C2OC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275191	0	37	-2.0	-135.31	309.68	7.51	-127.80
CC1=CN=C(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275192	0	36	-2.0	-128.45	314.27	4.36	-124.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC2=NNN=C21	REAL300005275193	0	31	-2.0	-122.65	267.37	4.33	-118.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCCOC2=C1	REAL300005275194	0	35	-2.0	-126.91	293.99	5.37	-121.54
CC1(C)COC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300005275195	0	41	-2.0	-128.86	328.80	8.65	-120.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC12CCOC1=CC=CC=C12	REAL300005275196	0	42	-2.0	-120.20	334.27	9.14	-111.06
CC1=CC(Br)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275197	0	33	-2.0	-124.88	294.78	8.94	-115.94
COC(CC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275198	0	40	-2.0	-128.73	324.80	8.81	-119.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300005275199	0	43	-2.0	-131.21	364.96	9.96	-121.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300005275200	0	49	-2.0	-132.01	394.23	12.77	-119.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300005275201	0	45	-2.0	-138.44	371.88	11.99	-126.45
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300005275202	0	47	-2.0	-131.80	376.96	9.61	-122.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300005275203	0	36	-2.0	-117.96	328.87	9.33	-108.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300005275204	0	36	-2.0	-115.23	325.25	9.20	-106.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2N=CC(Br)=CN2N=C1	REAL300005275205	0	32	-2.0	-125.94	297.07	7.21	-118.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300005275206	0	41	-2.0	-118.32	350.06	9.28	-109.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2N=CSC2=CC=C1	REAL300005275208	0	32	-2.0	-128.34	285.04	7.27	-121.07
COCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300005275209	0	40	-2.0	-114.37	329.98	5.87	-108.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300005275210	0	42	-2.0	-116.16	360.88	7.84	-108.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2CSCC(C1)C2=O	REAL300005275211	0	40	-2.0	-119.57	308.73	7.98	-111.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CS(=O)(=O)C1CC1	REAL300005275212	0	33	-2.0	-134.10	294.56	4.55	-129.55
CC1=CC=C(C(C)C(O)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275213	0	43	-2.0	-124.55	339.83	8.29	-116.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(CC2=CC=CC=C2)C=C1	REAL300005275214	0	40	-2.0	-130.75	343.53	10.09	-120.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2CCCCC2)C=C1	REAL300005275215	0	43	-2.0	-130.28	342.03	9.59	-120.69
NS(=O)(=O)C1=CC=C(NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(F)=C1	REAL300005275216	0	40	-2.0	-124.00	354.96	2.07	-121.93
CN(C)C1=CN=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275217	0	36	-2.0	-122.02	301.94	6.98	-115.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300005275218	0	39	-2.0	-117.67	340.19	7.32	-110.35
CC(C)OC1=CN=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275219	0	38	-2.0	-115.44	321.10	5.70	-109.74
CCC1=NC=CN1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275222	0	42	-2.0	-115.15	340.72	9.18	-105.97
CON1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275223	0	39	-2.0	-120.11	307.87	5.36	-114.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(NC2CCC2)=C1	REAL300005275224	0	41	-2.0	-127.45	334.56	7.77	-119.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=NC2=CN=C1	REAL300005275225	0	32	-2.0	-116.09	274.88	5.60	-110.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC=C2N=CN=C21	REAL300005275225	1	32	-2.0	-133.16	264.52	6.49	-126.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN2C=C(C(F)(F)F)N=C12	REAL300005275226	0	40	-2.0	-129.95	340.98	9.55	-120.40
CN1CCCC1C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300005275227	0	42	-2.0	-124.67	341.72	5.46	-119.21
CN1CCCC1C1=NNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275227	1	42	-2.0	-115.06	333.64	5.39	-109.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(N2C=CN=C2)C=C1	REAL300005275228	0	40	-2.0	-124.11	338.36	11.19	-112.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL300005275229	0	35	-2.0	-133.28	302.40	6.53	-126.75
CN1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005275230	0	42	-2.0	-121.72	335.85	8.34	-113.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300005275231	0	40	-2.0	-126.38	337.12	9.77	-116.61
CC1CN(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275232	0	39	-2.0	-125.29	301.84	4.63	-120.66
CN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)NC1=O	REAL300005275233	0	33	-2.0	-116.80	276.19	5.01	-111.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=CNC1=O	REAL300005275234	0	33	-2.0	-133.70	297.51	5.93	-127.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NN2C=CC=NC2=N1	REAL300005275235	0	34	-2.0	-142.44	299.60	8.69	-133.75
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=NC2=NN1	REAL300005275237	0	35	-2.0	-134.56	295.13	6.06	-128.50
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275238	0	43	-2.0	-117.49	360.08	7.17	-110.32
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300005275238	1	43	-2.0	-125.11	362.67	7.38	-117.73
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCOCC1	REAL300005275239	0	39	-2.0	-109.80	297.81	3.74	-106.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=C1CCCCC2	REAL300005275240	0	40	-2.0	-136.90	314.15	7.82	-129.08
CC(CN1CCOCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275241	0	42	-2.0	-125.26	331.53	5.18	-120.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1CCN(C2=CC=CC=N2)CC1	REAL300005275242	1	49	-2.0	-125.65	385.92	6.99	-118.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC=CC=C2C=C1	REAL300005275243	0	35	-2.0	-134.05	298.29	8.05	-126.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2C=CC=NC2=C1	REAL300005275244	0	32	-2.0	-131.92	281.34	7.31	-124.61
CC1=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005275245	0	38	-2.0	-131.39	314.72	8.62	-122.77
COC1=CC(Cl)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275246	0	34	-2.0	-124.46	303.25	7.48	-116.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=NC2=CC=C1	REAL300005275247	0	33	-2.0	-117.37	276.17	7.43	-109.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2N=CNC2=CC=C1	REAL300005275247	1	33	-2.0	-135.05	280.10	7.46	-127.59
CC1=NC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=CS1	REAL300005275248	0	39	-2.0	-131.30	341.36	9.09	-122.21
COC1=CC=CC(C2=NNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300005275249	0	41	-2.0	-117.78	343.73	7.70	-110.08
COC1=CC=CC(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NN2)=C1	REAL300005275249	1	41	-2.0	-125.25	345.90	7.80	-117.45
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC2=CN=CC=C21	REAL300005275311	0	38	-2.0	-128.56	320.73	9.19	-119.37
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CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])OC2=C(F)C=C1	REAL300005275313	0	36	-2.0	-128.08	313.94	9.76	-118.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300005275314	0	34	-2.0	-124.59	294.46	6.98	-117.61
CC1=C(C)N2N=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300005275315	0	39	-2.0	-132.06	317.94	8.52	-123.54
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)NC(C2=CC=NC=C2)=N1	REAL300005275316	0	44	-2.0	-144.38	370.93	7.39	-136.99
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005275316	1	43	-3.0	-234.01	369.78	6.43	-227.58
CN1CCN(CC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)CC1	REAL300005275317	1	50	-2.0	-132.80	391.06	6.62	-126.18
CN1CCN(CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300005275318	1	50	-2.0	-127.53	391.62	6.69	-120.84
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275320	0	44	-2.0	-120.29	359.85	9.44	-110.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCSCC1=CC=CC=N1	REAL300005275321	0	39	-2.0	-124.65	343.47	9.14	-115.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(N2C=CN=C2)=C1	REAL300005275322	0	36	-2.0	-121.37	310.09	9.39	-111.98
CC(C)(C)NS(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275323	0	40	-2.0	-128.94	326.23	3.48	-125.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2NC=CC=C12	REAL300005275324	0	33	-2.0	-138.62	287.09	7.35	-131.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(NC2CC2)N=C1	REAL300005275325	0	38	-2.0	-129.22	312.68	7.09	-122.13
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1=CC=C(F)C=C1	REAL300005275327	0	42	-2.0	-125.59	359.78	9.17	-116.42
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CNC=N2)C=C1	REAL300005275332	0	37	-2.0	-137.83	315.82	8.95	-128.88
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1C=NC2=CC=CC=C21	REAL300005275333	0	39	-2.0	-124.37	324.30	9.48	-114.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NNC=N2)C=C1	REAL300005275334	0	36	-2.0	-132.43	312.74	8.59	-123.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NN=CN2)C=C1	REAL300005275334	1	36	-2.0	-128.33	305.44	8.89	-119.44
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C(F)(F)F)=C1	REAL300005275336	0	32	-2.0	-118.24	292.39	7.04	-111.20
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CN1N=C2C=CC=CC2=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275338	0	36	-2.0	-119.14	304.95	7.71	-111.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(CN2C=CN=C2)=C1	REAL300005275339	0	40	-2.0	-133.55	340.31	10.93	-122.62
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(N2CCCCC2)=N1	REAL300005275341	0	41	-2.0	-125.57	339.71	8.48	-117.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2SC=CC2=CC=C1	REAL300005275342	0	33	-2.0	-124.78	286.92	8.98	-115.80
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CC1=NC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2N1	REAL300005275344	0	36	-2.0	-118.29	301.49	7.31	-110.98
CC1=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2N1	REAL300005275344	1	36	-2.0	-135.68	298.37	7.33	-128.35
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CCC(C)OC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275348	0	43	-2.0	-129.09	348.64	9.53	-119.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1CCOCC1	REAL300005275349	0	38	-2.0	-120.06	297.22	3.70	-116.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2CCCCC21	REAL300005275350	0	46	-2.0	-118.46	335.87	10.13	-108.33
CS(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275351	0	38	-2.0	-142.35	334.61	7.40	-134.95
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC2=CC=CC=C21	REAL300005275352	0	39	-2.0	-127.81	325.97	10.41	-117.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC(C2CCCCC2)=N1	REAL300005275353	0	42	-2.0	-122.08	340.05	7.97	-114.11
CC(C)(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275354	0	40	-2.0	-122.59	324.04	7.59	-115.00
CCOC1=CN=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275355	0	35	-2.0	-114.53	300.98	4.78	-109.75
COCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275356	0	33	-2.0	-115.41	293.85	4.78	-110.63
CC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275357	0	36	-2.0	-122.39	315.88	9.48	-112.91
CC(C)(C)SCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275358	0	42	-2.0	-123.83	344.94	9.82	-114.01
COC1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275359	0	43	-2.0	-127.52	332.59	8.11	-119.41
CS(=O)C1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275360	0	38	-2.0	-138.11	317.10	8.83	-129.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005275361	0	30	-3.0	-193.04	281.70	6.22	-186.82
CC(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(=O)N1	REAL300005275362	0	39	-2.0	-126.47	317.86	6.60	-119.87
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300005275363	0	39	-2.0	-126.84	331.33	9.94	-116.90
CC1=CC=CC2=C1OC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300005275364	0	38	-2.0	-131.77	313.90	9.09	-122.68
NS(=O)(=O)CCCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275365	0	40	-2.0	-132.20	343.59	3.17	-129.03
CC(C)OC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300005275366	0	39	-2.0	-123.79	326.07	6.28	-117.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=NNC=C2C1	REAL300005275367	0	37	-2.0	-123.46	297.27	5.94	-117.52
COC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(=O)NC1=O	REAL300005275368	0	34	-2.0	-102.99	300.82	2.71	-100.28
COC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005275368	1	33	-3.0	-185.78	298.82	0.72	-185.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CC2)S1	REAL300005275369	0	34	-2.0	-119.94	295.03	9.17	-110.77
CCCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300005275370	0	39	-2.0	-122.66	333.98	10.25	-112.41
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1C	REAL300005275371	0	36	-2.0	-119.75	300.11	9.28	-110.47
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCCC1	REAL300005275372	0	48	-2.0	-122.78	345.00	10.21	-112.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2CCC2)=C1	REAL300005275373	0	40	-2.0	-130.42	322.76	10.25	-120.17
CC1CCC(C)(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1(C)C	REAL300005275374	0	49	-2.0	-130.89	363.16	10.69	-120.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=CC=C2N=C1	REAL300005275375	0	33	-2.0	-141.48	278.54	5.86	-135.62
CCCC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275376	0	38	-2.0	-115.68	317.53	6.16	-109.52
CC(OC1=CC=CC=N1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275377	0	36	-2.0	-128.84	301.34	6.01	-122.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C2COCC2=C1	REAL300005275378	0	38	-2.0	-125.36	318.35	8.08	-117.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CO)C(F)=C1	REAL300005275379	0	34	-2.0	-126.35	294.13	5.28	-121.07
CCCCS(=O)(=O)NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275380	0	40	-2.0	-130.70	343.31	3.75	-126.95
CN1N=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300005275381	0	35	-2.0	-121.87	300.19	6.25	-115.62
CC1=C(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300005275382	0	39	-2.0	-123.39	334.06	10.04	-113.35
CNC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005275383	0	35	-2.0	-126.23	292.34	6.57	-119.66
CC(OCC1=CC=C(F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275384	0	40	-2.0	-121.30	338.00	8.99	-112.31
CC(C)C1=CC=C2OC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275385	0	42	-2.0	-125.51	340.83	10.09	-115.42
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(CC2CC2)=N1	REAL300005275386	0	39	-2.0	-125.29	329.26	6.90	-118.39
CCOCC1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275387	0	39	-2.0	-116.59	332.63	6.25	-110.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300005275388	0	40	-2.0	-119.86	339.56	7.46	-112.40
COC1=C(S(N)(=O)=O)SC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275389	0	36	-2.0	-114.82	327.73	1.67	-113.15
CC1=NC2=CC=CC=C2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275390	0	38	-2.0	-120.86	316.72	8.73	-112.13
CC(C)(C)OC1=CC=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275391	0	48	-2.0	-123.74	381.90	9.76	-113.98
CCN1N=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)N=C21	REAL300005275392	0	41	-2.0	-115.61	340.48	8.38	-107.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C2=CC=CC=C2)N=CO1	REAL300005275393	0	36	-2.0	-120.60	309.51	6.73	-113.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300005275394	0	41	-2.0	-121.27	348.68	7.74	-113.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC(C(F)F)=N1	REAL300005275395	0	33	-2.0	-126.34	297.66	6.99	-119.35
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1N=NN=C1C(C)(C)C	REAL300005275396	0	43	-2.0	-115.71	334.53	6.57	-109.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CC=CC=C2S1	REAL300005275397	0	32	-2.0	-126.84	290.72	8.42	-118.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300005275398	0	39	-2.0	-121.76	351.88	9.58	-112.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=NC2=CC=CC=C21	REAL300005275399	0	36	-2.0	-122.58	310.09	9.83	-112.75
CCC1=NC2=CC=CC=C2N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275400	0	42	-2.0	-128.46	351.73	10.22	-118.24
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1CCC2=CC=CC=C21	REAL300005275401	0	42	-2.0	-126.86	323.13	7.90	-118.96
CN(C)C1=NOC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275402	0	39	-2.0	-121.41	331.92	7.39	-114.02
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275403	0	37	-2.0	-113.99	314.27	7.83	-106.16
CC(C)(C)C1=CC=C(CSCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275404	0	49	-2.0	-125.55	403.03	12.52	-113.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2)=CC=N1	REAL300005275405	0	39	-2.0	-127.20	326.75	10.67	-116.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CN2C=N1	REAL300005275406	0	33	-2.0	-125.91	284.06	10.50	-115.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCOC1=CC=C(Cl)C=C1Cl	REAL300005275407	0	40	-2.0	-122.00	366.51	10.27	-111.73
CCN(CC)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275408	0	44	-2.0	-131.93	346.86	9.99	-121.94
CN(C)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275409	0	38	-2.0	-130.68	303.13	8.05	-122.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300005275410	0	45	-2.0	-129.85	379.48	6.87	-122.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300005275411	0	44	-2.0	-135.27	371.87	10.30	-124.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1O	REAL300005275412	0	35	-2.0	-130.12	302.06	6.02	-124.10
CC1=CC=C(S(=O)(=O)NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275413	0	41	-2.0	-129.63	357.87	5.17	-124.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2N=CSC2=C1	REAL300005275414	0	32	-2.0	-127.27	283.16	7.05	-120.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCS(=O)(=O)N1CCCC1	REAL300005275415	0	44	-2.0	-128.77	368.07	5.77	-123.00
CC1=NN=C2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300005275417	0	39	-2.0	-116.82	318.31	8.56	-108.26
CCN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005275418	0	41	-2.0	-125.08	334.79	9.97	-115.11
CN(C)C1=NC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)S1	REAL300005275419	0	37	-2.0	-123.42	331.95	8.21	-115.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(N2CCCCC2)=N1	REAL300005275422	0	43	-2.0	-123.41	343.57	9.87	-113.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCC2)N1	REAL300005275423	0	38	-2.0	-121.10	304.65	8.71	-112.39
CC1=CC=C(NC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)N=N1	REAL300005275424	0	43	-2.0	-135.52	362.32	9.34	-126.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC2=CN=CN21	REAL300005275425	0	30	-2.0	-111.51	278.20	7.96	-103.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1CCOCC1	REAL300005275426	0	38	-2.0	-126.36	309.84	6.05	-120.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2CCC(O)CC2)C=C1	REAL300005275427	0	46	-2.0	-129.63	360.87	5.60	-124.03
CC(OCCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275428	0	43	-2.0	-129.31	353.83	10.09	-119.22
CC1(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300005275429	0	41	-2.0	-124.94	320.76	7.47	-117.47
CC1=CC(F)=CC(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)=C1	REAL300005275430	0	39	-2.0	-122.66	340.29	8.96	-113.70
COC(C)(C)C1=NC(C)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275431	0	42	-2.0	-119.13	344.47	6.44	-112.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=NC(C2=CC=CC=C2)=N1	REAL300005275432	0	39	-2.0	-136.80	338.48	10.48	-126.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(N2CCOCC2)=NC=N1	REAL300005275433	0	41	-2.0	-116.44	334.35	7.04	-109.40
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCC(C)CC1	REAL300005275434	0	48	-2.0	-123.38	341.99	9.50	-113.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)(F)F)C=NN1	REAL300005275435	0	30	-2.0	-108.32	270.63	5.80	-102.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC=C1C(F)(F)F	REAL300005275435	1	30	-2.0	-121.80	273.97	5.96	-115.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(=O)NC(C2CC2)=C1	REAL300005275436	0	37	-2.0	-122.58	315.77	6.98	-115.60
CC(=O)C1=CN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275437	0	34	-2.0	-125.05	302.99	5.23	-119.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(C(F)(F)F)CC1	REAL300005275438	0	33	-2.0	-108.72	287.42	8.10	-100.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC2=CC=NN21	REAL300005275439	0	32	-2.0	-116.15	264.52	7.28	-108.87
CC1=CC2=C(C)C=CN=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275440	0	41	-2.0	-135.34	329.61	9.66	-125.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CN=C2)N=C1	REAL300005275441	0	36	-2.0	-128.07	308.06	7.11	-120.96
CC(O)C1=CN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275442	0	36	-2.0	-129.49	309.79	2.90	-126.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC(C2=CC=CC=C2)=CS1	REAL300005275443	0	36	-2.0	-124.24	318.50	8.49	-115.75
CC1=C(C(C)C)N=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275444	0	41	-2.0	-125.50	351.13	8.58	-116.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NC=CS1	REAL300005275445	0	35	-2.0	-121.97	310.07	7.49	-114.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(N2CCOCC2)=N1	REAL300005275446	0	42	-2.0	-133.22	355.23	5.59	-127.63
CCCCCCCCC(O)CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275447	0	54	-2.0	-122.30	425.44	9.59	-112.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NC(C2=CC=CC=C2)=CS1	REAL300005275448	0	39	-2.0	-125.09	345.39	9.52	-115.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CC=C2C1	REAL300005275449	0	37	-2.0	-117.24	302.93	9.76	-107.48
CN1C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN=C1C1=CC=CC=C1	REAL300005275450	0	42	-2.0	-139.40	352.33	10.13	-129.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC(O)C1=CC=CC=C1	REAL300005275451	0	43	-2.0	-124.99	354.06	8.01	-116.98
CC1=C(C2=CC=CO2)N=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275452	0	39	-2.0	-125.54	348.97	8.36	-117.18
CCCOC1=CC=NC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275453	0	41	-2.0	-131.57	348.03	6.01	-125.56
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CN1CCOCC1	REAL300005275454	0	43	-2.0	-123.00	340.02	5.40	-117.60
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C12	REAL300005275455	0	38	-2.0	-135.69	308.07	9.00	-126.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=COC2=C(F)C=C1	REAL300005275456	0	33	-2.0	-116.61	287.34	8.18	-108.43
C=CC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCCCC1	REAL300005275457	0	43	-2.0	-113.44	316.76	9.38	-104.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=COC2=C(Cl)C=C1	REAL300005275458	0	33	-2.0	-117.49	297.69	8.63	-108.86
CC1=CC=CC=C1NCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275459	0	41	-2.0	-121.20	335.21	8.50	-112.70
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)O1	REAL300005275460	0	45	-2.0	-130.78	379.62	10.75	-120.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(O)C=C1	REAL300005275461	0	35	-2.0	-127.68	304.13	6.48	-121.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005275462	0	30	-3.0	-196.27	275.49	6.15	-190.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(O)C(Cl)=C1	REAL300005275462	1	31	-2.0	-122.30	284.66	5.45	-116.85
CC(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(O)C(C(C)C)=C1	REAL300005275463	0	49	-2.0	-123.60	372.45	9.33	-114.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNS(=O)(=O)C1=CC=CS1	REAL300005275464	0	38	-2.0	-126.61	350.46	4.13	-122.48
CCOC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1O	REAL300005275465	0	38	-2.0	-124.01	335.14	6.30	-117.71
CCOC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005275465	1	37	-3.0	-202.17	326.55	7.19	-194.98
CCC1=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2N=C1CC	REAL300005275466	0	46	-2.0	-131.72	372.96	8.58	-123.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21	REAL300005275467	0	42	-2.0	-134.08	368.57	5.10	-128.98
COC1=CC=C(Cl)C=C1NCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275468	0	39	-2.0	-123.69	340.42	6.95	-116.74
C#CCN1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275469	1	40	-2.0	-119.72	318.08	6.00	-113.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300005275470	0	41	-2.0	-136.24	364.67	3.66	-132.58
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COC1=CC=C(N2C=C([O-])C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300005275473	0	41	-3.0	-235.96	351.82	7.01	-228.95
CCC1=NOC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005275474	0	37	-2.0	-118.05	316.80	5.87	-112.18
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C12	REAL300005275475	0	45	-2.0	-129.28	374.41	11.88	-117.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300005275476	0	40	-2.0	-132.69	342.06	8.94	-123.75
CC1=NC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005275477	0	35	-2.0	-124.19	310.03	7.31	-116.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CNC(C1=CC=CC=C1)C(F)(F)F	REAL300005275478	0	41	-2.0	-119.37	352.66	8.08	-111.29
CC(C)C1=NC=CN1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275479	0	42	-2.0	-118.29	346.03	9.20	-109.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL300005275480	0	42	-2.0	-132.18	349.20	10.16	-122.02
CC1(CCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC(=O)NC1=O	REAL300005275481	0	41	-2.0	-119.89	340.21	3.38	-116.51
CC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275482	0	38	-2.0	-128.16	307.19	7.62	-120.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN2C=NC=C2C1	REAL300005275483	0	37	-2.0	-120.57	297.80	8.08	-112.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=C(Cl)C(F)=C1	REAL300005275484	0	34	-2.0	-119.77	313.90	8.91	-110.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2=NN=CN2)C=C1	REAL300005275485	0	39	-2.0	-136.75	328.77	9.55	-127.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2=NNC=N2)C=C1	REAL300005275485	1	39	-2.0	-133.46	329.39	9.15	-124.31
NS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300005275486	0	32	-2.0	-119.87	291.21	0.72	-119.15
CNS(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300005275487	0	35	-2.0	-121.22	313.64	1.93	-119.29
C[N-]S(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300005275487	1	34	-3.0	-197.03	310.63	1.48	-195.55
CC(O)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275488	0	33	-2.0	-116.35	292.46	3.05	-113.30
COCC1=NN(C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275489	0	37	-2.0	-119.29	309.78	5.03	-114.26
CCC1=NN=C(C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275490	0	37	-2.0	-112.50	308.20	6.77	-105.73
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300005275491	0	38	-2.0	-123.48	323.77	8.45	-115.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CC=CC=C2F)C1	REAL300005275492	0	42	-2.0	-131.45	345.08	8.66	-122.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CC=CC=C2Cl)C1	REAL300005275493	0	42	-2.0	-129.29	354.82	9.34	-119.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC(F)(F)F)C=N1	REAL300005275494	0	36	-2.0	-117.26	323.08	7.90	-109.36
CN1C=NC2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C21	REAL300005275495	0	36	-2.0	-118.13	300.79	8.92	-109.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2OC=CC2=CC(F)=C1	REAL300005275496	0	33	-2.0	-124.49	284.49	8.46	-116.03
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])OC2=CC=C1	REAL300005275497	0	36	-2.0	-125.35	307.53	9.71	-115.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1NC(=O)NC1=O	REAL300005275498	0	35	-2.0	-120.00	301.53	2.08	-117.92
CN(C)C1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275499	0	42	-2.0	-131.70	343.96	9.70	-122.00
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275500	0	38	-2.0	-118.11	329.45	3.35	-114.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CSCCS1	REAL300005275501	0	32	-2.0	-123.27	286.02	7.75	-115.52
CC1=NNC(C)=C1CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275502	0	39	-2.0	-121.32	324.26	7.15	-114.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(C2=CC=CC=N2)=N1	REAL300005275503	0	38	-2.0	-148.41	341.46	7.86	-140.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(N2CCOCC2)=CC=N1	REAL300005275504	0	42	-2.0	-123.38	336.45	6.07	-117.31
NS(=O)(=O)C1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275505	0	41	-2.0	-127.16	358.02	4.55	-122.61
COC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300005275506	0	39	-2.0	-128.84	324.38	6.74	-122.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL300005275508	0	40	-2.0	-121.75	352.52	9.36	-112.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(NC2=CC=CC=N2)=N1	REAL300005275509	0	37	-2.0	-128.28	329.87	9.51	-118.77
CCC(CC)N1C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275510	0	42	-2.0	-130.72	338.03	9.02	-121.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(=O)C2=CC=CC=C21	REAL300005275511	0	39	-2.0	-120.58	318.83	8.90	-111.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=CC=C(O)C(F)=C1	REAL300005275512	0	40	-2.0	-121.91	342.52	7.60	-114.31
COC(=CC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275513	0	38	-2.0	-128.65	312.87	9.63	-119.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=NNN=C21	REAL300005275514	0	32	-2.0	-122.98	273.19	5.02	-117.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1CCCC2	REAL300005275515	0	40	-2.0	-124.25	316.17	10.19	-114.06
CC1=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C	REAL300005275516	0	37	-2.0	-130.88	314.38	7.56	-123.32
CC1=CC=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005275517	0	38	-2.0	-130.84	316.88	8.64	-122.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CN2N=NN=C12	REAL300005275518	0	31	-2.0	-130.16	266.41	5.15	-125.01
CC1=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C	REAL300005275519	0	39	-2.0	-122.09	324.34	7.79	-114.30
COC1=NOC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275520	0	36	-2.0	-116.36	311.71	5.17	-111.19
COC1=CC=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NN=C21	REAL300005275521	0	37	-2.0	-121.34	309.35	6.33	-115.01
CC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1O	REAL300005275522	0	37	-2.0	-126.44	313.48	6.68	-119.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC2=NC=NC2=C1	REAL300005275523	0	32	-2.0	-122.87	272.40	6.51	-116.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=NC=CN=C2C=C1	REAL300005275524	0	33	-2.0	-130.09	288.27	6.51	-123.58
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(CC2CC2)=N1	REAL300005275525	0	39	-2.0	-115.78	332.47	8.52	-107.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCN(CC(F)F)CC1	REAL300005275526	0	44	-2.0	-125.07	347.45	7.64	-117.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=N2)=NO1	REAL300005275527	0	35	-2.0	-121.56	310.60	7.70	-113.86
CCNC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275528	0	34	-2.0	-116.36	297.20	5.87	-110.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CNC2=CC=CC(Cl)=C12	REAL300005275529	0	37	-2.0	-128.57	326.95	9.20	-119.37
CC1=CC(C)=NC(=O)N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275530	0	38	-2.0	-127.03	321.15	6.31	-120.72
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005275531	0	39	-2.0	-116.45	336.85	10.13	-106.32
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=C1	REAL300005275532	0	46	-2.0	-131.24	387.57	11.09	-120.15
CCCCOC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005275533	0	43	-2.0	-114.97	362.09	10.03	-104.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Br)C(O)=C1	REAL300005275534	0	34	-2.0	-123.99	313.82	6.60	-117.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CSC(C2=CC=CC=C2O)=N1	REAL300005275535	0	39	-2.0	-130.77	339.81	5.30	-125.47
CCCC1CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300005275536	0	43	-2.0	-119.69	334.11	7.39	-112.30
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N2C=C(Br)C=CC2=N1	REAL300005275537	0	36	-2.0	-126.49	327.71	9.32	-117.17
CN1CCC2=C(C1)C1=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C1N2	REAL300005275538	0	46	-2.0	-135.34	357.86	7.13	-128.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300005275539	0	33	-2.0	-123.90	319.08	10.35	-113.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300005275540	0	42	-2.0	-129.43	348.93	11.50	-117.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=NSN=C1N1CCOCC1	REAL300005275541	0	42	-2.0	-119.66	359.14	3.34	-116.32
CS(=O)(=O)C1=CC=C(NCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275542	0	41	-2.0	-124.72	355.97	4.58	-120.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300005275543	0	37	-2.0	-112.68	325.39	9.53	-103.15
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275544	0	40	-2.0	-121.12	342.27	9.63	-111.49
COC1=CC=C(C2=NNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1OC	REAL300005275545	0	45	-2.0	-115.53	372.92	7.61	-107.92
COC1=CC=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NN2)C=C1OC	REAL300005275545	1	45	-2.0	-124.19	375.07	7.72	-116.47
CC1=CC=C(OCCCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005275546	0	46	-2.0	-124.97	375.23	10.62	-114.35
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275547	0	43	-2.0	-126.05	350.49	9.77	-116.28
CC1=CC=C(C2=NNC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1C	REAL300005275548	0	43	-2.0	-124.58	352.17	9.70	-114.88
CC1=CC=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NN2)C=C1C	REAL300005275548	1	43	-2.0	-125.15	354.78	9.70	-115.45
CC1=NNC(C)=C1C(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275549	0	42	-2.0	-122.93	331.24	7.27	-115.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(N2CCCC2)=N1	REAL300005275550	0	40	-2.0	-121.93	322.27	8.48	-113.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCN(CC(F)(F)F)C1	REAL300005275551	0	41	-2.0	-123.09	336.64	7.04	-116.05
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275552	0	37	-2.0	-112.98	319.95	9.20	-103.78
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275553	0	40	-2.0	-134.05	333.95	10.26	-123.79
CC1=NN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300005275554	0	43	-2.0	-133.00	364.50	10.38	-122.62
CC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005275555	0	42	-2.0	-124.29	341.07	10.26	-114.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C(=C1)CCCCC2=O	REAL300005275556	0	42	-2.0	-125.85	340.63	9.89	-115.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=NC=CN2C1	REAL300005275557	0	37	-2.0	-119.58	303.42	8.10	-111.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(CC2=CC=CC=C2)=NN1	REAL300005275558	0	40	-2.0	-121.37	337.39	9.27	-112.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=CC=C(O)C=C1)C1CC1	REAL300005275559	0	44	-2.0	-115.95	359.23	7.83	-108.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN2C=CN=C2C1	REAL300005275560	0	37	-2.0	-114.37	303.45	8.24	-106.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CN=CN2C1	REAL300005275561	0	37	-2.0	-119.47	303.32	8.82	-110.65
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275562	0	43	-2.0	-104.87	340.68	6.90	-97.97
NS(=O)(=O)CCCCCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275563	0	43	-2.0	-130.38	365.08	3.92	-126.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OCC(F)F)N=C1	REAL300005275564	0	36	-2.0	-124.09	314.09	5.56	-118.53
CC(C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(F)(F)F	REAL300005275565	0	39	-2.0	-124.21	331.99	9.85	-114.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(OCC(F)F)C=N1	REAL300005275566	0	35	-2.0	-116.71	313.99	5.10	-111.61
CC(C)(O)C1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275567	0	46	-2.0	-128.08	344.39	5.99	-122.09
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=CC=C12	REAL300005275568	0	40	-2.0	-125.11	348.35	3.08	-122.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CS(=O)(=O)C1	REAL300005275569	0	33	-2.0	-123.80	289.18	3.75	-120.05
CC(C)N1C=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275570	0	39	-2.0	-138.34	324.60	7.91	-130.43
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1N=C1C=CC=CN1C2=O	REAL300005275571	0	42	-2.0	-138.74	348.87	10.04	-128.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC2=CC=CC=C2C=C1	REAL300005275572	0	41	-2.0	-129.09	344.23	9.96	-119.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NC2=CC=CC=C2N1	REAL300005275573	0	39	-2.0	-124.79	330.02	8.28	-116.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(F)C=C2S1	REAL300005275574	0	33	-2.0	-117.18	296.75	9.31	-107.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCC1=NC2=CC=CC=C2S1	REAL300005275575	0	39	-2.0	-130.07	348.52	8.24	-121.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(N2CCCC2)=CC=N1	REAL300005275576	0	41	-2.0	-123.56	329.99	7.76	-115.80
COC1=CC=C(C2=NC(C)=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C=C1	REAL300005275577	0	43	-2.0	-118.39	364.34	8.59	-109.80
CN(C)C1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275578	0	44	-2.0	-126.97	354.97	10.01	-116.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300005275579	0	40	-2.0	-134.22	348.89	3.97	-130.25
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2C(=N1)ON=C2C(C)C	REAL300005275580	0	43	-2.0	-111.26	354.99	6.57	-104.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CC=N2)=N1	REAL300005275581	0	35	-2.0	-134.09	317.01	7.95	-126.14
CCN(CC)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275582	1	44	-2.0	-121.56	352.89	8.08	-113.48
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300005275584	0	38	-2.0	-124.12	312.98	9.03	-115.09
CC1=CC=C(N2CCC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2)N=C1	REAL300005275585	0	47	-2.0	-129.62	371.87	9.17	-120.45
CN(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300005275586	0	41	-2.0	-125.25	333.21	7.82	-117.43
CN(C)C1=CC=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275587	0	37	-2.0	-125.90	305.04	7.67	-118.23
CCCCN(CC)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275588	0	50	-2.0	-132.01	394.97	11.51	-120.50
CCCCN(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275589	0	47	-2.0	-131.73	373.16	10.58	-121.15
CCCN(CC)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005275591	0	46	-2.0	-132.24	365.72	10.06	-122.18
CC(=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005275592	0	37	-2.0	-125.08	329.96	10.49	-114.59
CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=NN2C=C1	REAL300005275593	0	36	-2.0	-132.30	300.44	8.04	-124.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CNC2=NC=CC2=C1	REAL300005275594	0	33	-2.0	-116.23	283.77	7.06	-109.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2NC=CC2=C1	REAL300005275594	1	33	-2.0	-134.17	278.47	6.84	-127.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NNC=C2)S1	REAL300005275595	0	34	-2.0	-121.55	305.21	7.07	-114.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1CC(F)(F)F	REAL300005275596	0	33	-2.0	-110.60	291.17	6.70	-103.90
CC(C)CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])N1C=CN=C1	REAL300005275597	0	42	-2.0	-112.06	335.94	9.31	-102.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCCCC2=C1	REAL300005275598	0	37	-2.0	-130.55	302.65	7.94	-122.61
CCC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275599	0	45	-2.0	-128.38	347.37	10.46	-117.92
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1OC	REAL300005275600	0	41	-2.0	-117.54	336.52	7.77	-109.77
COCCN1N=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275601	0	37	-2.0	-114.22	308.49	5.35	-108.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=NC=C2)N=C1	REAL300005275602	0	36	-2.0	-124.56	307.50	7.02	-117.54
CC(CC1=CC=C(Br)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275603	0	39	-2.0	-122.42	341.37	10.52	-111.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300005275604	0	45	-2.0	-119.56	356.17	7.15	-112.41
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CN(C)N=C1	REAL300005275605	0	44	-2.0	-129.24	361.40	9.45	-119.79
CCOC1=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CNC2=CC=C1	REAL300005275606	0	44	-2.0	-132.82	364.29	9.09	-123.73
NC1=C(Cl)C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005275607	0	32	-2.0	-112.43	294.88	6.73	-105.70
CCCC1=NOC2=NC(CC)=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005275608	0	46	-2.0	-110.09	373.87	7.55	-102.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CC2)N=N1	REAL300005275609	0	36	-2.0	-123.75	309.14	7.27	-116.48
CC1=NC(CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)=NO1	REAL300005275610	0	37	-2.0	-127.91	329.25	4.21	-123.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CCOC2)N=N1	REAL300005275611	0	40	-2.0	-124.85	334.06	5.82	-119.03
CC1=CC(CN2N=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C)=NO1	REAL300005275612	0	41	-2.0	-129.95	350.11	7.29	-122.66
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1CCCC1	REAL300005275613	0	45	-2.0	-128.18	358.39	8.81	-119.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005275614	0	33	-3.0	-176.69	298.08	5.58	-171.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005275614	1	33	-3.0	-176.69	298.14	5.59	-171.10
CC(CC1=CN(C)N=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275615	0	39	-2.0	-122.06	323.74	7.66	-114.40
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CN(C)N=C2)O1	REAL300005275616	0	39	-2.0	-128.77	336.42	6.30	-122.47
CC1=NC2=CC=NN2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275617	0	35	-2.0	-111.71	299.66	7.26	-104.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(OCC(F)F)=C1	REAL300005275618	0	36	-2.0	-129.45	318.96	5.66	-123.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC(F)F)=N1	REAL300005275619	0	36	-2.0	-118.19	314.14	5.67	-112.52
CC(=O)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300005275620	0	38	-2.0	-122.12	314.55	8.78	-113.34
CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=CN2C=C1	REAL300005275621	0	36	-2.0	-139.71	304.38	10.84	-128.87
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1CCCCC1	REAL300005275622	0	46	-2.0	-133.46	360.35	10.13	-123.33
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C(C)C1CC1	REAL300005275623	0	43	-2.0	-132.67	351.81	9.83	-122.84
CN(C)CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005275624	0	37	-2.0	-122.77	312.00	5.49	-117.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300005275625	0	38	-2.0	-130.16	336.10	6.88	-123.28
CN(C)C1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N(C)C2=NC=N1	REAL300005275626	0	43	-2.0	-118.12	344.24	8.48	-109.64
CCC(CC)N1N=C(C)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275627	0	45	-2.0	-118.68	354.74	9.10	-109.58
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(OCC(F)F)=CC=N1	REAL300005275628	0	36	-2.0	-128.55	316.75	7.80	-120.75
COC1=CC=CN2N=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300005275630	0	37	-2.0	-135.04	305.31	7.53	-127.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2CCC2)N=C1	REAL300005275631	0	37	-2.0	-128.24	302.43	7.46	-120.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC=CC=C2O1	REAL300005275632	0	32	-2.0	-122.19	281.40	7.24	-114.95
COCCCOC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005275633	0	47	-2.0	-122.72	380.91	8.55	-114.17
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300005275634	0	40	-2.0	-121.72	316.84	7.11	-114.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1C1CCC1	REAL300005275635	0	37	-2.0	-115.52	299.38	7.62	-107.90
CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(C3=CC=CO3)N=C2C=C1	REAL300005275636	0	45	-2.0	-132.23	380.59	10.58	-121.65
CC1=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC=N1	REAL300005275637	0	33	-2.0	-123.75	297.35	7.07	-116.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Cl)C=C1	REAL300005275638	0	34	-2.0	-122.08	309.31	9.81	-112.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1OCC2	REAL300005275639	0	35	-2.0	-128.97	292.39	7.67	-121.30
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300005275640	0	42	-2.0	-126.88	332.14	9.18	-117.70
CCOC1=CC2=C(C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])OC(C)C2	REAL300005275641	0	49	-2.0	-139.55	400.36	10.19	-129.36
CC(C)(C)C1=NC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275642	0	42	-2.0	-126.32	359.03	9.05	-117.27
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300005275643	0	41	-2.0	-130.72	367.75	12.14	-118.58
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275644	0	42	-2.0	-132.73	365.81	5.99	-126.74
CCC(C)OC1=CC=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275645	0	47	-2.0	-134.89	381.55	11.01	-123.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=NC2=CC(Cl)=CC=C2C=C1	REAL300005275646	0	39	-2.0	-136.15	353.05	10.41	-125.74
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C2CC2)OC(C2CC2)=C1	REAL300005275647	0	41	-2.0	-123.75	338.01	10.50	-113.25
CC1=CC=CC=C1C(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275648	0	39	-2.0	-124.70	311.69	9.60	-115.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(OC2CCCC2)=C1	REAL300005275649	0	48	-2.0	-127.45	387.83	11.52	-115.93
CCC1=CC=C(Br)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275650	0	36	-2.0	-117.15	316.76	9.67	-107.48
COC1=CC(Br)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275651	0	34	-2.0	-124.48	307.82	7.58	-116.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C(Br)=CC=CN2N=C1	REAL300005275653	0	33	-2.0	-126.64	300.95	8.04	-118.60
CN1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC(Br)=CN=C21	REAL300005275654	0	36	-2.0	-114.09	319.84	8.99	-105.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)O1	REAL300005275655	0	30	-2.0	-112.98	280.76	7.87	-105.11
CCC1=NOC(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275656	0	38	-2.0	-124.50	329.92	5.03	-119.47
COC1=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)N=C2C=C1	REAL300005275657	0	42	-2.0	-121.66	346.95	8.02	-113.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=CC=CO2)=C1	REAL300005275658	0	36	-2.0	-130.37	313.65	7.70	-122.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(C(F)(F)F)=N1	REAL300005275659	0	31	-2.0	-111.61	281.97	6.11	-105.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2	REAL300005275660	0	43	-2.0	-120.77	367.36	9.49	-111.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=CC=CC=N2)=N1	REAL300005275661	0	37	-2.0	-129.56	318.69	8.72	-120.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=COC2=CC=N1	REAL300005275662	0	32	-2.0	-126.14	277.14	7.55	-118.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300005275663	0	47	-2.0	-118.65	356.86	5.02	-113.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300005275665	0	41	-2.0	-120.78	360.46	10.80	-109.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2CCCCC2=N1	REAL300005275666	0	37	-2.0	-132.08	302.43	9.06	-123.02
CC1=NN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C12	REAL300005275667	0	38	-2.0	-141.30	327.92	8.14	-133.16
CCCOC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1C	REAL300005275668	0	46	-2.0	-123.29	368.78	10.21	-113.08
CN1N=C(C2CC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275669	0	37	-2.0	-122.48	303.87	7.56	-114.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2CCCCC2)O1	REAL300005275670	1	45	-2.0	-121.49	358.30	8.41	-113.08
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275671	0	45	-2.0	-117.82	365.84	10.65	-107.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=C(F)C=C(F)C=C2C1	REAL300005275672	0	38	-2.0	-119.93	327.23	8.80	-111.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2CC2)S1	REAL300005275673	0	37	-2.0	-119.56	318.13	10.00	-109.56
COC1=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1	REAL300005275674	0	41	-2.0	-130.74	341.40	7.39	-123.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2=CC=CC=C2)=N1	REAL300005275675	0	39	-2.0	-129.50	320.04	10.54	-118.96
CC1=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1[N+](=O)[O-]	REAL300005275676	0	39	-2.0	-110.85	331.09	9.59	-101.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(Br)C=C(F)C=C2N1	REAL300005275677	0	34	-2.0	-110.22	313.62	9.18	-101.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300005275678	0	52	-2.0	-130.89	412.83	14.27	-116.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCCCCCC1CC1	REAL300005275679	0	51	-2.0	-122.37	404.48	12.84	-109.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=C1NN=C2	REAL300005275680	0	37	-2.0	-117.25	301.89	6.80	-110.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=CNN=C21	REAL300005275680	1	37	-2.0	-134.15	301.94	6.70	-127.45
COC1=C2C=CSC2=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275681	0	37	-2.0	-123.66	322.35	8.42	-115.24
CC1(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)CC1	REAL300005275682	0	40	-2.0	-131.55	324.07	10.20	-121.35
CC1CCN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C1	REAL300005275683	0	45	-2.0	-127.78	351.74	8.65	-119.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300005275684	0	37	-2.0	-136.23	316.44	5.54	-130.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(C2CCC2)=C1	REAL300005275685	0	36	-2.0	-122.23	304.21	8.71	-113.52
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300005275686	0	36	-2.0	-113.70	304.11	8.52	-105.18
CC(CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300005275687	0	42	-2.0	-121.68	360.86	11.38	-110.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCC1=CC=C(C(F)(F)F)C=C1	REAL300005275688	0	40	-2.0	-123.38	355.39	9.83	-113.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Cl)C=C2S1	REAL300005275689	0	33	-2.0	-117.30	307.07	9.75	-107.55
COC1=CC=CC(N2C=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300005275690	0	41	-2.0	-138.72	344.25	8.93	-129.79
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300005275691	0	37	-2.0	-119.56	314.62	8.17	-111.39
COC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(Cl)=C1	REAL300005275692	0	38	-2.0	-116.54	332.50	8.34	-108.20
CC1(C)CC2(CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2)C1	REAL300005275693	0	43	-2.0	-122.91	333.35	9.81	-113.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300005275694	0	39	-2.0	-125.48	326.48	10.63	-114.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CCCO2)N=N1	REAL300005275695	0	40	-2.0	-127.72	334.61	5.96	-121.76
C[C@@H]1C[C@H](C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300005275696	0	45	-2.0	-124.41	334.02	9.24	-115.17
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(OC)=N1	REAL300005275697	0	37	-2.0	-118.99	309.49	3.97	-115.02
CC1(C)C2CCC(C2)C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275698	0	43	-2.0	-122.61	306.15	9.02	-113.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300005275699	0	34	-2.0	-131.80	316.65	10.05	-121.75
COCC1CCN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)C1	REAL300005275700	0	49	-2.0	-128.91	385.21	7.74	-121.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300005275701	0	37	-2.0	-119.64	342.05	7.86	-111.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=CC2=C1OCC2	REAL300005275702	0	39	-2.0	-137.54	320.66	6.07	-131.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(CC(F)(F)F)C=C1	REAL300005275703	0	33	-2.0	-127.33	300.20	7.67	-119.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300005275704	0	41	-2.0	-116.89	353.56	9.83	-107.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2C=N1	REAL300005275705	0	35	-2.0	-129.13	298.30	9.52	-119.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1CC(F)(F)C1	REAL300005275706	0	36	-2.0	-118.25	305.32	8.82	-109.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC(Cl)=CC=C2C1	REAL300005275707	0	38	-2.0	-122.01	331.30	9.17	-112.84
CC1(C)COCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275708	0	41	-2.0	-117.57	324.72	6.88	-110.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC(F)(F)F	REAL300005275709	0	35	-2.0	-118.39	304.99	8.51	-109.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1C[C@@H](OC(F)F)C1	REAL300005275710	0	34	-2.0	-123.61	295.40	6.41	-117.20
CC(C)(C)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275711	0	41	-2.0	-127.72	327.81	8.44	-119.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(N2C=NC=N2)=N1	REAL300005275712	0	35	-2.0	-118.43	299.87	10.29	-108.14
COC1=CC=CC=C1C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275713	0	40	-2.0	-125.02	346.50	8.47	-116.55
CC1=NC2=C(CCCC2CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005275714	0	42	-2.0	-127.55	336.51	7.47	-120.08
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CN=CC=C12	REAL300005275715	0	39	-2.0	-123.58	324.43	7.58	-116.00
CCCCCC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275716	0	48	-2.0	-128.59	389.76	12.56	-116.03
CCCCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275717	0	38	-2.0	-118.43	324.96	7.92	-110.51
CC(C)(C)OCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275718	0	42	-2.0	-114.22	350.18	6.88	-107.34
COC1=CC(F)=CC(N2C=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300005275719	0	41	-2.0	-130.03	351.64	9.03	-121.00
CC(=O)N1CSC[C@@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275720	0	35	-2.0	-137.60	297.84	6.56	-131.04
CN(C)C1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=CC=C1	REAL300005275721	0	41	-2.0	-126.09	344.78	8.72	-117.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC1(C1=CC=NC=C1)CC2	REAL300005275722	0	43	-2.0	-120.03	342.12	9.64	-110.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL300005275723	0	37	-2.0	-115.28	319.78	9.57	-105.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1CCCCCCC1	REAL300005275724	0	46	-2.0	-125.07	327.86	7.43	-117.64
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2CCCCC2=N1	REAL300005275725	0	42	-2.0	-117.96	325.44	8.87	-109.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(O)(C2=CC=CC=C2)C1	REAL300005275726	0	44	-2.0	-117.31	345.23	7.66	-109.65
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=C(F)C=C1	REAL300005275727	0	40	-2.0	-127.00	341.87	9.49	-117.51
COC1=CC=C(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300005275728	0	40	-2.0	-124.76	341.90	7.53	-117.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NN=C1C1=CC=CC=C1	REAL300005275729	0	38	-2.0	-130.14	326.02	7.64	-122.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1	REAL300005275730	0	41	-2.0	-114.27	357.31	9.99	-104.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300005275731	0	37	-2.0	-128.33	317.30	7.03	-121.30
COC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005275732	0	40	-2.0	-126.34	329.17	8.61	-117.73
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)F	REAL300005275733	0	33	-2.0	-121.52	293.02	7.03	-114.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300005275734	0	39	-2.0	-111.33	330.32	10.45	-100.88
CS(=O)(=O)C1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275735	0	42	-2.0	-131.59	364.48	7.14	-124.45
CC(C)CC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275736	0	38	-2.0	-119.44	321.62	7.83	-111.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2CCCCC2)=C1	REAL300005275737	0	43	-2.0	-128.22	348.45	10.81	-117.41
CC(C)(C)CC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275738	0	41	-2.0	-120.93	336.96	8.18	-112.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NOC(C2CC2)=C1	REAL300005275739	0	36	-2.0	-134.41	310.19	8.54	-125.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1Cl	REAL300005275740	0	34	-2.0	-128.31	307.40	9.74	-118.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC(F)=C1	REAL300005275741	0	34	-2.0	-123.27	299.59	9.38	-113.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Br)O1	REAL300005275742	0	31	-2.0	-125.50	296.88	8.19	-117.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2SC=NC2=C1	REAL300005275743	0	32	-2.0	-129.54	283.06	7.02	-122.52
CSC1=CC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275744	0	40	-2.0	-123.70	343.99	10.61	-113.09
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275745	0	35	-2.0	-115.16	309.89	9.05	-106.11
CP(C)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275746	0	39	-2.0	-130.21	337.05	7.25	-122.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL300005275747	0	33	-2.0	-127.21	307.42	9.26	-117.95
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C(Br)C=C1	REAL300005275748	0	37	-2.0	-118.88	328.54	9.76	-109.12
COC1=CC(=O)NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275749	0	34	-2.0	-107.93	276.76	5.33	-102.60
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300005275750	0	38	-2.0	-118.97	320.29	10.79	-108.18
CCCCS(=O)(=O)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275751	0	38	-2.0	-135.53	328.37	5.29	-130.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1CCCCCC1	REAL300005275752	0	43	-2.0	-125.28	330.34	8.88	-116.40
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=C1CCCCC2	REAL300005275753	0	43	-2.0	-124.46	329.41	10.60	-113.86
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=NN(CC(F)(F)F)C=C1	REAL300005275754	0	36	-2.0	-130.88	323.55	7.95	-122.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CC2=C(Br)C=CC=C21	REAL300005275755	0	35	-2.0	-120.14	317.53	8.62	-111.52
CC1(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300005275756	0	40	-2.0	-128.74	324.05	10.21	-118.53
CC(C)CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275757	0	39	-2.0	-127.28	325.66	9.72	-117.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C2OCCCC2=C1	REAL300005275758	0	44	-2.0	-126.20	357.49	10.25	-115.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300005275759	0	40	-2.0	-119.69	338.22	9.62	-110.07
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275760	0	40	-2.0	-113.09	338.14	9.08	-104.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2CC2)C=C1	REAL300005275761	0	38	-2.0	-127.00	312.58	8.65	-118.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CC2=NC=NC=C21	REAL300005275762	0	33	-2.0	-114.03	282.84	7.23	-106.80
COC1=C(Cl)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275763	0	34	-2.0	-117.02	303.80	8.18	-108.84
CC(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C(C)C)N1	REAL300005275764	0	46	-2.0	-128.23	360.05	9.31	-118.92
CCCOC1=CC=C2NC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275765	0	47	-2.0	-146.77	387.01	9.90	-136.87
CC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2CCCCN12	REAL300005275766	0	40	-2.0	-134.84	319.52	9.52	-125.32
CS(=O)(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005275767	0	38	-2.0	-115.62	341.14	4.73	-110.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2CCOCC2=C1	REAL300005275768	0	36	-2.0	-132.83	294.56	6.66	-126.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(CC1=CC=CC=C1)C1CC1	REAL300005275769	0	43	-2.0	-114.64	331.45	10.77	-103.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=CC=C1C1=CC=CC=C1	REAL300005275770	0	40	-2.0	-137.74	335.17	9.21	-128.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(C2=CC=CN=C2)=N1	REAL300005275771	0	35	-2.0	-128.31	313.07	7.82	-120.49
CC1=CN=C2C(=C1)C=NN2CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275772	0	38	-2.0	-140.11	327.38	8.19	-131.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC2CCCCO2)N=C1	REAL300005275773	0	44	-2.0	-129.00	352.93	7.31	-121.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC2=C1CCCCCC2	REAL300005275774	0	43	-2.0	-131.42	333.92	10.14	-121.28
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CC=CN2C=N1	REAL300005275775	0	33	-2.0	-138.20	282.93	10.19	-128.01
CC1=CC=CN2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300005275776	0	36	-2.0	-134.31	307.21	8.82	-125.49
CC1(C)CCC2=C(C1)SC=C2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275777	0	43	-2.0	-122.47	338.56	10.23	-112.24
CC1=CC2=CC=NC=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275778	0	38	-2.0	-126.60	317.34	8.87	-117.73
CC(C)(C)OCCOCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275779	0	46	-2.0	-123.47	367.68	7.24	-116.23
CC(C)C1CCC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)C1	REAL300005275780	0	46	-2.0	-121.42	364.71	11.16	-110.26
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(Br)=C1	REAL300005275781	0	37	-2.0	-115.34	329.79	9.68	-105.66
CN1N=CC2=NC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300005275782	0	35	-2.0	-124.54	296.24	5.60	-118.94
CCOCCOCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275783	0	40	-2.0	-122.92	333.38	6.09	-116.83
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275784	0	40	-2.0	-115.03	337.11	9.43	-105.60
CC1(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300005275785	0	41	-2.0	-125.59	322.65	6.49	-119.10
CC1=CC=CN2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C12	REAL300005275786	0	39	-2.0	-128.63	330.33	9.76	-118.87
CS(=O)(=O)C1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275787	0	39	-2.0	-133.50	343.08	6.31	-127.19
CC1=C(CC(F)(F)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2N1	REAL300005275788	0	43	-2.0	-125.72	362.56	10.23	-115.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300005275789	0	48	-2.0	-128.24	404.32	12.60	-115.64
COCCOC1=CC=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275790	0	45	-2.0	-130.27	378.10	8.80	-121.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=CC=C1N1C=CC=N1	REAL300005275791	0	41	-2.0	-141.32	350.71	10.79	-130.53
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275792	0	41	-2.0	-124.75	359.60	9.65	-115.10
COC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300005275793	0	41	-2.0	-121.17	360.02	9.70	-111.47
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275794	0	40	-2.0	-122.50	349.71	10.85	-111.65
CC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300005275795	0	40	-2.0	-122.06	347.46	10.82	-111.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(C2CC2)C=C1	REAL300005275796	0	41	-2.0	-127.73	341.77	11.40	-116.33
CCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005275797	0	44	-2.0	-127.46	364.46	10.29	-117.17
CC1=CC(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300005275798	0	47	-2.0	-127.92	382.35	10.91	-117.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2COCCN2C(C2=CC=CC=C2)=N1	REAL300005275799	0	45	-2.0	-135.79	366.36	9.81	-125.98
C=CCCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275800	0	43	-2.0	-127.80	350.67	11.25	-116.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300005275801	0	40	-2.0	-123.86	349.93	10.30	-113.56
CCCCCCCSC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275802	0	52	-2.0	-125.30	426.08	13.46	-111.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=CC2=NSN=C21	REAL300005275803	0	34	-2.0	-125.43	306.65	7.10	-118.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CCCC2(CC2)S1(=O)=O	REAL300005275804	0	42	-2.0	-150.60	351.00	5.89	-144.71
NS(=O)(=O)CCCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275805	0	34	-2.0	-130.21	300.74	1.59	-128.62
CC1=CC(C)=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=N1	REAL300005275807	0	38	-2.0	-125.51	326.33	8.55	-116.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(F)C=C1F	REAL300005275808	0	34	-2.0	-122.40	305.06	9.42	-112.98
COC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300005275809	0	37	-2.0	-127.19	306.52	7.73	-119.46
CN(C)S(=O)(=O)N1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005275810	0	46	-2.0	-122.44	374.03	4.99	-117.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CN=CC(Br)=C1	REAL300005275811	0	35	-2.0	-118.52	319.95	8.41	-110.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(F)=CC(OC(F)F)=C1	REAL300005275812	0	34	-2.0	-124.34	297.74	7.32	-117.02
CCCCCCCCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275813	0	54	-2.0	-127.68	423.85	13.81	-113.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC1(C1=CC=CN=C1)CC2	REAL300005275814	0	43	-2.0	-131.12	340.44	9.53	-121.59
COCC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCCC1	REAL300005275815	0	43	-2.0	-114.98	326.85	8.87	-106.11
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275816	0	40	-2.0	-139.80	333.58	10.30	-129.50
CN1N=C(C2CCOCC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275817	0	44	-2.0	-115.74	346.43	6.77	-108.97
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1F	REAL300005275818	0	40	-2.0	-138.94	343.47	10.17	-128.77
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(S(N)(=O)=O)S1	REAL300005275819	0	35	-2.0	-115.80	317.14	2.33	-113.47
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300005275820	0	37	-2.0	-135.65	316.34	7.98	-127.67
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=CC=C21	REAL300005275821	0	39	-2.0	-125.47	326.34	10.49	-114.98
C[C@H](CC1CCCCC1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275822	0	45	-2.0	-115.52	333.13	9.97	-105.55
CN1N=CC2=CC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005275823	0	39	-2.0	-127.06	331.74	8.76	-118.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC2=CC(Br)=CC=C21	REAL300005275824	0	37	-2.0	-119.89	337.45	10.90	-108.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2C=CC=C(Br)C2=N1	REAL300005275825	0	32	-2.0	-134.97	302.63	8.49	-126.48
CC1=CC(COCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300005275826	0	36	-2.0	-124.86	312.85	7.00	-117.86
CC1=CC=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C12	REAL300005275827	0	38	-2.0	-132.98	313.48	8.77	-124.21
CCCN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300005275828	0	39	-2.0	-115.28	317.60	7.60	-107.68
CCCN1N=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005275829	0	39	-2.0	-121.16	315.14	7.47	-113.69
COC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005275830	0	41	-2.0	-126.83	339.51	9.11	-117.72
CC1=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC(Br)=C1	REAL300005275831	0	37	-2.0	-114.13	328.85	9.78	-104.35
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NN=C1C(F)(F)F	REAL300005275832	0	33	-2.0	-105.19	292.25	6.38	-98.81
CC1=C(C(F)(F)F)NN=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275832	1	33	-2.0	-113.40	295.32	6.52	-106.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1CCC(CO)CC1	REAL300005275833	1	42	-2.0	-118.19	329.52	3.49	-114.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2(C1)CC1(CCC1)C2	REAL300005275834	0	44	-2.0	-114.57	345.61	10.82	-103.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2CC2)=NC2=CC=NN21	REAL300005275835	0	39	-2.0	-120.75	325.10	9.19	-111.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2SC=CC2=NC=C1	REAL300005275836	0	32	-2.0	-117.64	282.36	7.16	-110.48
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1N	REAL300005275837	0	38	-2.0	-120.95	325.69	5.96	-114.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(Cl)C2=CC=CN=C12	REAL300005275838	0	38	-2.0	-129.78	337.36	9.78	-120.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CCC2)N=C1	REAL300005275839	0	39	-2.0	-128.34	312.91	8.30	-120.04
CC1=CN2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=N1	REAL300005275840	0	33	-2.0	-122.42	293.73	8.41	-114.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=CC(Cl)=C1	REAL300005275841	0	34	-2.0	-122.86	294.33	6.44	-116.42
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005275842	0	39	-2.0	-120.13	332.66	10.25	-109.88
CC1=CC=C2SC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CC2=C1	REAL300005275843	0	38	-2.0	-119.73	325.81	10.30	-109.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(C2CCC2)C=C1	REAL300005275844	0	43	-2.0	-127.15	348.16	11.40	-115.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=CC=CC=C2)=N1	REAL300005275845	0	38	-2.0	-123.05	317.38	9.95	-113.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL300005275846	0	36	-2.0	-124.18	324.45	8.41	-115.77
CC1=CC(C2CC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275847	0	39	-2.0	-118.41	319.99	8.59	-109.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC1(C1=CC=CC=N1)CC2	REAL300005275848	0	43	-2.0	-139.46	339.11	10.15	-129.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL300005275849	0	36	-2.0	-112.12	309.36	8.49	-103.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2C=C(Br)C=CC2=N1	REAL300005275850	0	32	-2.0	-127.62	302.54	8.95	-118.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(COC2=CC=CC=C2)=N1	REAL300005275851	0	40	-2.0	-128.81	354.08	9.24	-119.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Br)C(F)=C2N1	REAL300005275852	0	34	-2.0	-116.09	314.69	9.07	-107.02
CC1=C(C)C2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2)O1	REAL300005275853	0	37	-2.0	-120.34	309.56	7.93	-112.41
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COCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)[N-]1	REAL300005275856	1	35	-3.0	-214.01	304.17	3.15	-210.86
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=C(C(F)(F)F)C2=C1CCC2	REAL300005275864	0	40	-2.0	-120.35	350.90	8.98	-111.37
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COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCOC1	REAL300005275869	0	41	-2.0	-114.99	317.47	5.93	-109.06
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CC1=CC=C([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275874	0	40	-2.0	-116.06	335.73	10.92	-105.14
CC1=C(C)C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N=N1	REAL300005275875	0	40	-2.0	-125.51	323.53	7.97	-117.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCNS1(=O)=O	REAL300005275876	0	35	-2.0	-122.10	300.04	2.31	-119.79
CC1OC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C1C	REAL300005275877	0	41	-2.0	-128.35	329.78	8.90	-119.45
COC1=CC=C2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CNC2=C1	REAL300005275878	0	41	-2.0	-134.27	343.54	8.17	-126.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300005275879	0	43	-2.0	-128.17	366.63	10.44	-117.73
CCCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300005275880	0	39	-2.0	-119.36	317.90	8.92	-110.44
CN1C=CC2=CC=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C21	REAL300005275881	0	36	-2.0	-124.15	300.03	7.52	-116.63
CC(C)(C)C1=CN=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275882	0	41	-2.0	-127.12	328.90	8.17	-118.95
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275883	0	37	-2.0	-113.35	320.72	8.22	-105.13
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300005275884	0	39	-2.0	-121.31	334.93	10.07	-111.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC12CCOCC2	REAL300005275885	0	44	-2.0	-121.96	317.83	7.42	-114.54
COC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300005275886	0	36	-2.0	-117.93	316.88	5.40	-112.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC=CC=C2N=C1	REAL300005275887	0	34	-2.0	-133.29	293.90	6.16	-127.13
COCCC1=NC(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NO1	REAL300005275888	0	45	-2.0	-127.00	385.03	6.89	-120.11
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CC1(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1(F)F	REAL300005275891	0	40	-2.0	-130.28	329.80	10.30	-119.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=CC=CN=C2C=C1	REAL300005275892	0	38	-2.0	-127.18	323.50	9.15	-118.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CCC2)NC1=O	REAL300005275893	0	39	-2.0	-124.52	314.68	7.83	-116.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005275893	1	38	-3.0	-217.16	311.30	6.79	-210.37
CN1N=C(C2CCC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275894	0	40	-2.0	-115.94	320.88	7.98	-107.96
CC1CCCN2C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C12	REAL300005275895	0	43	-2.0	-126.99	345.63	9.31	-117.68
CC1=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CN2C(C)=C1	REAL300005275896	0	39	-2.0	-144.19	323.17	9.66	-134.53
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300005275897	0	36	-2.0	-117.27	300.93	8.46	-108.81
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(O)CCCOC1	REAL300005275899	0	38	-2.0	-120.74	298.53	4.53	-116.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Cl)C=C2OC1	REAL300005275900	0	36	-2.0	-119.33	315.67	7.77	-111.56
CCOC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300005275901	0	39	-2.0	-132.49	327.25	7.32	-125.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(C2CC2)C=C1	REAL300005275902	0	41	-2.0	-124.32	328.83	8.01	-116.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300005275903	0	38	-2.0	-134.07	333.21	7.94	-126.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=NC=NN2C=C1	REAL300005275904	0	32	-2.0	-116.40	283.17	8.24	-108.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(F)C(Br)=CC=C2N1	REAL300005275905	0	34	-2.0	-113.17	314.77	9.10	-104.07
COC1=CC(C)=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300005275906	0	41	-2.0	-122.11	337.88	8.36	-113.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300005275907	0	34	-2.0	-116.63	310.29	8.98	-107.65
CN1N=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=CN=C21	REAL300005275908	0	34	-2.0	-113.21	293.83	7.85	-105.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=CC2=CC=C(Br)C=C21	REAL300005275909	0	37	-2.0	-120.92	336.72	10.85	-110.07
CC1=C(Cl)C2=NC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300005275910	0	38	-2.0	-117.66	330.13	9.29	-108.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCOC2(CCOCC2)C1	REAL300005275911	0	45	-2.0	-120.71	336.43	5.77	-114.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(SC=C2)S1	REAL300005275912	0	30	-2.0	-118.85	280.73	8.31	-110.54
CC1=CC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275913	0	33	-2.0	-118.51	289.26	8.87	-109.64
COC1=NN2C(=NN=C2CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005275914	0	41	-2.0	-133.19	353.24	6.35	-126.84
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275915	0	40	-2.0	-113.51	348.46	9.52	-103.99
COC1=CC(C)=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])OC2=C1	REAL300005275916	0	40	-2.0	-123.60	336.90	9.00	-114.60
CCC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300005275917	0	45	-2.0	-122.23	347.34	11.04	-111.19
CC(C)=CCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300005275918	0	44	-2.0	-128.78	357.69	8.42	-120.36
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2SC=CN12	REAL300005275919	0	30	-2.0	-131.17	268.91	7.22	-123.95
CC1=NC=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275920	0	35	-2.0	-121.88	310.49	7.56	-114.32
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C(Cl)=C1	REAL300005275921	0	36	-2.0	-115.34	318.45	9.61	-105.73
CC1=CC=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=CC=C12	REAL300005275922	0	38	-2.0	-129.10	316.84	8.64	-120.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300005275923	0	34	-2.0	-117.39	304.27	7.54	-109.85
CCC(C)N1N=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275924	0	39	-2.0	-115.11	311.97	7.62	-107.49
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NN=C(C2CC2)N1C1=CC=CC=C1	REAL300005275925	0	49	-2.0	-122.27	409.88	13.24	-109.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC2=CC=C(F)C=C21	REAL300005275926	0	35	-2.0	-136.56	294.78	8.01	-128.55
COC1=C(Br)C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275927	0	34	-2.0	-116.89	308.07	8.28	-108.61
CC1=C(O)C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300005275928	0	37	-2.0	-119.06	304.87	6.16	-112.90
CCC(=O)N1CSC[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275929	0	38	-2.0	-123.96	313.75	7.63	-116.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL300005275930	0	34	-2.0	-104.84	286.09	8.21	-96.63
CC(C)OC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005275931	0	40	-2.0	-126.26	334.63	9.05	-117.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300005275932	0	44	-2.0	-133.65	365.82	11.24	-122.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(CCCC2)O1	REAL300005275933	0	37	-2.0	-123.29	303.12	9.32	-113.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CNN=C2)C=C1	REAL300005275934	0	37	-2.0	-129.83	308.99	7.66	-122.17
CC1=CC(F)=CC=C1C(O)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275935	0	37	-2.0	-120.67	306.26	6.58	-114.09
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)C1=CC=CN=C1	REAL300005275936	0	32	-2.0	-127.33	281.08	6.85	-120.48
COCC1(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300005275937	0	44	-2.0	-113.20	334.62	5.98	-107.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2CCCC2=N1	REAL300005275938	0	36	-2.0	-128.15	297.67	9.05	-119.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300005275939	0	40	-2.0	-130.30	338.29	8.07	-122.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=C1CCCC2	REAL300005275940	0	37	-2.0	-122.64	296.83	8.47	-114.17
CC(C)(C)C1=NOC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275941	0	38	-2.0	-116.86	316.74	8.32	-108.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=C1Cl)OCO2	REAL300005275942	0	33	-2.0	-114.19	296.94	6.81	-107.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300005275943	0	38	-2.0	-117.92	322.22	8.82	-109.10
CC(C)C1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C2CCCCN21	REAL300005275944	0	46	-2.0	-137.39	351.27	10.45	-126.94
CC1=NC2=NC=NN2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275945	0	34	-2.0	-116.91	282.00	9.81	-107.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300005275946	0	36	-2.0	-136.83	305.64	8.29	-128.54
CC1=CC(C2CCC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275947	0	42	-2.0	-118.98	337.05	9.08	-109.90
COC1=CC=CC2=C1CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CO2	REAL300005275948	0	42	-2.0	-120.70	339.68	7.93	-112.77
CC(C)[C@@H]1C[C@H](CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300005275949	0	49	-2.0	-126.78	374.26	11.70	-115.08
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1F	REAL300005275950	0	37	-2.0	-113.92	313.75	9.10	-104.82
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(COC2=CC=CC=C2)=N1	REAL300005275951	0	43	-2.0	-118.30	367.00	8.83	-109.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCNC(=O)C2=C1	REAL300005275952	0	35	-2.0	-127.24	299.51	3.93	-123.31
CC1=CC2=NC=CN=C2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275953	0	37	-2.0	-124.48	313.55	6.82	-117.66
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1Cl	REAL300005275954	0	37	-2.0	-114.63	322.45	9.50	-105.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL300005275955	0	41	-2.0	-117.53	347.13	9.02	-108.51
CC1=CC=C(N2N=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=O)C=C1	REAL300005275956	0	44	-2.0	-124.35	365.76	9.76	-114.59
CC1=C(C)OC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275957	0	38	-2.0	-127.16	321.82	5.71	-121.45
COCCOCCN1C=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275958	0	44	-2.0	-127.70	371.37	6.45	-121.25
COCCOCCN1N=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275959	0	44	-2.0	-118.04	362.56	5.57	-112.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300005275960	0	46	-2.0	-128.04	381.32	12.92	-115.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CSC=C2)N=C1	REAL300005275961	0	36	-2.0	-130.56	314.59	8.35	-122.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C[C@@H]1CCC[C@H](C2CC2)O1	REAL300005275962	0	44	-2.0	-120.76	347.21	9.82	-110.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(CC1CCCCC1)C1=CC=CC=C1	REAL300005275963	0	52	-2.0	-127.66	396.09	12.18	-115.48
CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005275964	0	42	-2.0	-113.44	338.74	9.79	-103.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2CCC2)C=C1	REAL300005275965	0	43	-2.0	-129.96	348.09	11.19	-118.77
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC2=CC=CN=C2C=C1	REAL300005275966	0	39	-2.0	-130.73	334.29	9.68	-121.05
CC1(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)O1	REAL300005275967	0	46	-2.0	-115.05	349.67	8.54	-106.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC(O)=CC(Br)=C1	REAL300005275968	0	34	-2.0	-123.59	314.70	6.55	-117.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCCC1=CC=CC(O)=C1	REAL300005275969	0	43	-2.0	-125.10	357.80	8.30	-116.80
CCC1=NC=C(Cl)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005275970	0	34	-2.0	-114.66	300.11	7.89	-106.77
CC1=CC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2)S1	REAL300005275971	0	34	-2.0	-119.13	299.72	8.32	-110.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=C1CSC2	REAL300005275972	0	32	-2.0	-115.82	281.50	7.48	-108.34
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005275973	0	51	-2.0	-124.97	392.70	11.41	-113.56
CN1N=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=C(Cl)C=C1	REAL300005275974	0	40	-2.0	-126.99	352.20	9.95	-117.04
CC1=CC=C2OC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300005275975	0	36	-2.0	-132.53	301.62	8.89	-123.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2SCCCC2=C1	REAL300005275976	0	38	-2.0	-130.04	314.63	9.86	-120.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2SCCCCC2=C1	REAL300005275977	0	41	-2.0	-129.00	337.32	10.52	-118.48
CC(C)=CCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300005275978	0	43	-2.0	-122.71	354.24	11.05	-111.66
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=C(Cl)S2)N1	REAL300005275979	0	31	-2.0	-112.33	294.89	8.13	-104.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300005275980	0	37	-2.0	-124.06	312.45	8.09	-115.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC2=CC=CC=C2N=C1	REAL300005275981	0	38	-2.0	-126.45	323.56	9.14	-117.31
CC1=CC=C2C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300005275982	0	36	-2.0	-123.62	303.09	8.85	-114.77
CC(C)(C)C1=NN(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300005275983	0	40	-2.0	-124.70	336.43	6.40	-118.30
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=CS2)N1CC1CC1	REAL300005275984	0	41	-2.0	-124.58	344.76	10.69	-113.89
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300005275985	0	40	-2.0	-127.53	342.85	11.61	-115.92
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=C(Br)S2)N1	REAL300005275986	0	31	-2.0	-112.35	299.53	8.24	-104.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN(C2CC2(F)F)C=C1	REAL300005275987	0	34	-2.0	-134.91	303.76	8.04	-126.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300005275988	0	44	-2.0	-121.74	357.49	11.64	-110.10
CCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005275989	0	36	-2.0	-124.90	312.10	9.56	-115.34
CCCC1=C(Br)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300005275990	0	36	-2.0	-113.38	327.49	9.76	-103.62
CSC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005275991	0	34	-2.0	-122.56	316.38	9.23	-113.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(N1)C(Br)=CS2	REAL300005275992	0	31	-2.0	-115.70	298.00	8.20	-107.50
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O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=CC(F)=CC(F)=C12	REAL300005275994	0	33	-2.0	-117.77	290.49	8.23	-109.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CCCF)N=N1	REAL300005275995	0	35	-2.0	-124.89	305.87	6.61	-118.28
CCN1C=C(OC2=CN=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=N2)C=N1	REAL300005275996	0	42	-2.0	-121.35	358.78	6.77	-114.58
CN1N=CC2=C1SC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300005275997	0	33	-2.0	-116.25	292.74	6.94	-109.31
COC1=CC=CC=C1N1C=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005275998	0	41	-2.0	-132.79	347.80	10.72	-122.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C(C2CCOCC2)N=C1	REAL300005275999	0	42	-2.0	-122.49	337.79	6.33	-116.16
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(Br)=C1C	REAL300005276000	0	36	-2.0	-127.39	308.52	9.38	-118.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2C=CCC(C2)C1	REAL300005276001	0	41	-2.0	-116.81	312.41	9.55	-107.26
CC(C)CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300005276002	0	49	-2.0	-134.88	397.44	11.91	-122.97
CC1CCN(C2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300005276003	0	48	-2.0	-127.27	370.62	9.54	-117.73
COC1=CC=C(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005276006	0	40	-2.0	-119.94	329.73	7.68	-112.26
COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CC(F)(F)C1	REAL300005276007	0	37	-2.0	-116.91	309.33	7.65	-109.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1CCCOC1	REAL300005276008	0	38	-2.0	-124.91	309.73	6.06	-118.85
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276009	0	40	-2.0	-121.80	353.16	8.43	-113.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COCC1=NC(C2CC2)=NO1	REAL300005276010	0	39	-2.0	-127.72	339.62	5.94	-121.78
CN1CCC2=CC(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005276011	0	42	-2.0	-127.38	343.16	8.62	-118.76
CC(C)(C)C1(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005276012	0	45	-2.0	-125.62	326.67	9.16	-116.46
CC1=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300005276013	0	39	-2.0	-128.95	326.12	7.73	-121.22
CCS(=O)(=O)NC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276014	0	41	-2.0	-126.36	355.40	5.18	-121.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300005276015	0	33	-2.0	-121.46	310.35	9.81	-111.65
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300005276016	0	37	-2.0	-120.72	321.72	7.11	-113.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=CC=C1C(F)(F)F	REAL300005276017	0	37	-2.0	-131.93	313.07	6.85	-125.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300005276018	0	34	-2.0	-117.69	309.52	6.90	-110.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CN=C2)=NO1	REAL300005276019	0	35	-2.0	-116.72	309.12	7.65	-109.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1CCCCCC1	REAL300005276020	0	43	-2.0	-121.08	316.03	6.39	-114.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC(F)=CC(F)=C1	REAL300005276021	0	34	-2.0	-116.72	294.89	5.85	-110.87
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=CC=CC=C1)C(F)F	REAL300005276022	0	39	-2.0	-118.56	326.25	10.13	-108.43
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2CCOCC2=C1	REAL300005276023	0	38	-2.0	-129.45	305.80	7.74	-121.71
CCOCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005276024	0	36	-2.0	-126.81	319.72	6.66	-120.15
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1CCOC1	REAL300005276025	0	40	-2.0	-128.18	327.72	5.57	-122.61
CC1=NN=C(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N1C	REAL300005276026	0	38	-2.0	-132.92	319.14	8.42	-124.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=NN=NN2C1	REAL300005276027	0	35	-2.0	-102.68	292.81	5.82	-96.86
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(Cl)=C1	REAL300005276028	0	37	-2.0	-115.59	325.23	9.57	-106.02
CC1=C(C)NC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005276029	0	39	-2.0	-124.41	324.84	7.38	-117.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NN=C1C1CC1	REAL300005276030	0	35	-2.0	-113.65	304.64	6.70	-106.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(N2C=NN=N2)CCSCC1	REAL300005276031	0	42	-2.0	-100.95	337.58	8.13	-92.82
NC(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005276032	0	34	-2.0	-122.80	304.64	5.02	-117.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=NC2=CC=CC=C2N=C1	REAL300005276033	0	38	-2.0	-132.63	331.97	8.01	-124.62
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276034	0	43	-2.0	-129.43	364.89	8.25	-121.18
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276035	0	49	-2.0	-131.07	408.80	10.01	-121.06
CC1=CC=C(C(=O)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276036	0	35	-2.0	-129.28	298.00	9.11	-120.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(=O)C1=CC=C(Cl)C=C1	REAL300005276037	0	32	-2.0	-130.27	299.68	9.27	-121.00
CCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C2C(=N1)ON=C2C(C)C	REAL300005276038	0	46	-2.0	-111.11	375.61	7.43	-103.68
CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1CCOCC1	REAL300005276039	0	43	-2.0	-123.11	321.29	7.03	-116.08
CC(C)(C)OC1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C12CCC2	REAL300005276040	0	53	-2.0	-120.18	403.95	10.70	-109.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=C(F)C=C(F)C=C12	REAL300005276041	0	33	-2.0	-113.30	293.49	8.31	-104.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC(CC(F)(F)F)=N1	REAL300005276042	0	32	-2.0	-121.34	298.43	7.67	-113.67
CCC1=CC=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=C21	REAL300005276043	0	41	-2.0	-131.69	335.96	9.56	-122.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300005276044	0	40	-2.0	-124.01	337.57	10.40	-113.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300005276045	0	39	-2.0	-119.49	352.05	11.44	-108.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)CC1CCCC1	REAL300005276046	0	39	-2.0	-124.49	311.68	9.12	-115.37
CC1(C)CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1C(F)(F)F	REAL300005276047	0	39	-2.0	-110.38	319.59	8.93	-101.45
C[C@@H](CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300005276048	0	42	-2.0	-118.78	355.96	10.93	-107.85
C[C@@H](CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCOC2=C1	REAL300005276049	0	42	-2.0	-120.29	343.25	8.57	-111.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCC2(CCC2)O1	REAL300005276050	0	44	-2.0	-121.18	341.30	9.19	-111.99
COC1C[C@@H]2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C[C@H]12	REAL300005276051	0	41	-2.0	-118.33	317.18	6.92	-111.41
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1COCCN1CC(F)(F)F	REAL300005276052	0	42	-2.0	-109.30	340.04	5.28	-104.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC=C1Br	REAL300005276053	0	34	-2.0	-123.86	320.09	9.82	-114.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1CCC2=CC=CC=C21	REAL300005276054	0	37	-2.0	-128.38	301.51	9.58	-118.80
CC1(C)C2CCC1(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005276055	0	46	-2.0	-117.96	336.41	10.01	-107.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1C=C(C2CCOC2)C=N1	REAL300005276056	0	41	-2.0	-131.95	339.51	6.80	-125.15
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CN=C2NC=C1	REAL300005276057	0	33	-2.0	-122.21	275.70	7.07	-115.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CNC2=NC=C1	REAL300005276057	1	33	-2.0	-122.67	275.91	6.97	-115.70
CC1=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2O1	REAL300005276058	0	36	-2.0	-123.44	298.35	8.83	-114.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2(CCC2)CC1	REAL300005276059	0	43	-2.0	-125.42	328.41	9.85	-115.57
CCC1=CC2=C(OCC2)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276060	0	41	-2.0	-130.54	329.04	9.48	-121.06
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=CSC2=CC=C1	REAL300005276061	0	33	-2.0	-122.20	291.82	9.04	-113.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300005276062	0	40	-2.0	-129.78	357.88	9.84	-119.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(F)(F)F)=CS1	REAL300005276063	0	30	-2.0	-109.43	283.21	7.88	-101.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300005276064	0	50	-2.0	-125.25	415.04	12.88	-112.37
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(OCC2CC2)=C1	REAL300005276065	0	41	-2.0	-130.12	335.09	9.47	-120.65
CSC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005276066	0	34	-2.0	-115.43	307.91	9.22	-106.21
CC(F)(F)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276067	0	36	-2.0	-127.71	305.27	9.19	-118.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=CSC2=C1	REAL300005276068	0	33	-2.0	-129.57	288.95	9.03	-120.54
CC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005276069	0	33	-2.0	-120.83	305.55	9.27	-111.56
CC1=NC=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300005276070	0	41	-2.0	-119.75	329.07	7.53	-112.22
CC1=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300005276071	0	36	-2.0	-120.44	322.21	8.52	-111.92
COC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=N1	REAL300005276072	0	36	-2.0	-126.31	301.19	5.04	-121.27
CC1=CN(CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2)N=C1	REAL300005276073	0	43	-2.0	-131.65	362.69	10.00	-121.65
CCC1=NC=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300005276074	0	44	-2.0	-120.05	350.55	8.14	-111.91
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C(Br)S1	REAL300005276075	0	33	-2.0	-117.49	315.68	9.41	-108.08
COCCC(C)(C)CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276076	0	42	-2.0	-121.40	323.44	7.07	-114.33
CC(C)(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(C)(F)F	REAL300005276077	0	38	-2.0	-122.37	299.30	8.07	-114.30
CC1=CC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N2CC2CC2)S1	REAL300005276078	0	44	-2.0	-125.51	366.98	11.51	-114.00
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC=CBr	REAL300005276079	0	30	-2.0	-117.14	278.15	7.84	-109.30
CN1C=CC(C23CC(CC2)C3C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005276080	0	44	-2.0	-139.97	349.53	9.35	-130.62
CC1=CC(F)=CC(C(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276081	0	39	-2.0	-120.57	321.86	9.04	-111.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300005276082	0	37	-2.0	-120.77	333.83	9.59	-111.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC(C1=CC=CC=C1F)C(F)F	REAL300005276083	0	39	-2.0	-121.12	331.13	10.09	-111.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2=CC=NN21	REAL300005276084	0	37	-2.0	-128.43	298.10	7.32	-121.11
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276085	0	36	-2.0	-121.90	309.79	6.88	-115.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300005276086	0	37	-2.0	-135.05	311.97	9.84	-125.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2CCCC2=C1	REAL300005276087	0	36	-2.0	-131.33	292.67	7.65	-123.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)COC1=CC=CC=C1C(F)F	REAL300005276088	0	37	-2.0	-136.35	323.88	9.30	-127.05
CCOC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=NC=C1	REAL300005276089	0	39	-2.0	-126.81	336.55	7.60	-119.21
CC1=NC(C2CC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276090	0	38	-2.0	-113.42	317.65	7.98	-105.44
CCC1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300005276091	0	37	-2.0	-111.79	308.33	6.90	-104.89
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276092	0	45	-2.0	-113.12	360.69	7.00	-106.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2CC1C1C2C1(F)F	REAL300005276093	0	38	-2.0	-111.87	303.32	9.17	-102.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C2CC1(C1=CN=CS1)CC2	REAL300005276094	0	40	-2.0	-114.13	330.14	8.69	-105.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2(CC1)COCCO2	REAL300005276095	0	45	-2.0	-122.94	333.68	6.19	-116.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300005276096	0	41	-2.0	-131.88	336.80	10.33	-121.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NN2CCNS(=O)(=O)C2=C1	REAL300005276097	0	36	-2.0	-130.55	316.13	1.71	-128.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300005276098	0	37	-2.0	-111.53	297.56	8.85	-102.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC2=CC=C(F)C=C21	REAL300005276099	0	33	-2.0	-125.87	290.18	7.25	-118.62
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=C(F)C=CC2=NN1	REAL300005276099	1	33	-2.0	-124.10	285.83	7.18	-116.92
CCC1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005276100	0	36	-2.0	-123.54	323.89	7.61	-115.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC(F)=C1	REAL300005276101	0	34	-2.0	-120.87	307.33	9.36	-111.51
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(C=C(Br)O2)N1	REAL300005276102	0	31	-2.0	-110.61	288.54	7.31	-103.30
CC1=C(Cl)C=C(Br)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276103	0	33	-2.0	-110.12	310.06	9.42	-100.70
CC1=CC(C)=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300005276104	0	40	-2.0	-120.44	328.97	9.84	-110.60
CC1=NC2=C(NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)S1	REAL300005276105	0	33	-2.0	-116.88	293.16	6.43	-110.45
CC1(C)OCC2=C1NN=C2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276106	0	38	-2.0	-132.56	317.30	5.63	-126.93
CC1(C)OCC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NN=C21	REAL300005276106	1	38	-2.0	-113.12	311.92	5.45	-107.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2CCOCC2)=NN1	REAL300005276107	0	41	-2.0	-114.33	330.50	6.12	-108.21
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2CCCC2)N=C1	REAL300005276108	0	40	-2.0	-127.98	317.67	7.93	-120.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC2=C1CC(F)(F)CC2	REAL300005276109	0	36	-2.0	-124.96	308.84	8.49	-116.47
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCN1C=CC2=CC=CN=C21	REAL300005276110	0	39	-2.0	-133.75	331.51	9.95	-123.80
CCCC1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300005276111	0	35	-2.0	-123.90	305.69	8.13	-115.77
CC1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300005276112	0	33	-2.0	-111.90	296.59	6.63	-105.27
CC(C)(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300005276113	0	40	-2.0	-118.97	319.00	8.62	-110.35
COC1=CC=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=N1	REAL300005276114	0	37	-2.0	-119.43	313.11	6.28	-113.15
CC(C)(C)C1=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300005276115	0	39	-2.0	-128.29	316.90	7.93	-120.36
CC(C)(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300005276115	1	39	-2.0	-114.63	316.91	7.75	-106.88
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1CCC2=CC=CC=C21	REAL300005276116	0	37	-2.0	-128.95	297.96	8.98	-119.97
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2CCOC2=C1	REAL300005276117	0	35	-2.0	-133.19	292.95	7.51	-125.68
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276118	0	43	-2.0	-121.50	357.97	11.48	-110.02
COC1=CC=C(C(C)=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276119	0	41	-2.0	-126.21	341.60	9.27	-116.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CSC1=CC=CC(Cl)=C1	REAL300005276120	0	34	-2.0	-121.15	317.65	9.81	-111.34
COCC1=CN=C(OC)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276121	0	40	-2.0	-121.53	330.93	4.89	-116.64
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NC(C2CC2)=N1	REAL300005276122	0	35	-2.0	-123.18	306.14	6.30	-116.88
COC1=CC2=C(OCC2)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276123	0	39	-2.0	-125.90	308.37	7.15	-118.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005276124	0	30	-3.0	-209.11	292.92	7.62	-201.49
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(F)C=C12	REAL300005276125	0	37	-2.0	-114.45	311.93	9.09	-105.36
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276126	0	37	-2.0	-115.14	310.26	9.39	-105.75
C[C@H](C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCOC2=C1	REAL300005276127	0	39	-2.0	-113.38	322.28	7.87	-105.51
CS(=O)(=O)N1CCC(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005276128	0	45	-2.0	-128.20	373.49	4.89	-123.31
CC1=CN(C2=CC=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2)N=C1	REAL300005276129	0	40	-2.0	-140.39	337.31	9.53	-130.86
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276130	0	39	-2.0	-112.42	325.66	9.17	-103.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC(F)=CC=C21	REAL300005276131	0	36	-2.0	-120.64	307.45	10.08	-110.56
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2OC=CC2=C1	REAL300005276132	0	32	-2.0	-129.69	274.45	4.85	-124.84
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CSC(Br)=C1	REAL300005276133	0	33	-2.0	-121.33	315.44	9.28	-112.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1C1CC1(F)F	REAL300005276134	0	34	-2.0	-116.74	298.14	7.31	-109.43
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C(CC2=CC=CC=C2)N1	REAL300005276135	0	47	-2.0	-128.78	382.26	11.19	-117.59
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300005276136	0	43	-2.0	-115.18	338.39	8.14	-107.04
CCOC1=CC=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300005276137	0	44	-2.0	-119.16	356.90	9.23	-109.93
CCC1=CC=C2NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300005276138	0	43	-2.0	-120.86	348.37	10.46	-110.40
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(C)=CC(C)=C21	REAL300005276139	0	43	-2.0	-122.20	339.76	10.23	-111.97
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(C(C)C)C=C21	REAL300005276140	0	46	-2.0	-120.50	365.56	10.93	-109.57
CC1=NC=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276141	0	36	-2.0	-124.76	305.86	8.05	-116.71
CC1=CN=CC=C1C=CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276142	0	36	-2.0	-123.92	306.01	8.07	-115.85
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=NC2=CC=CC=C12	REAL300005276143	0	39	-2.0	-126.07	331.90	9.61	-116.46
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276144	0	37	-2.0	-115.14	310.26	9.39	-105.75
CC(=CC1=CC=CS1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276145	0	34	-2.0	-126.82	290.11	8.41	-118.41
NS(=O)(=O)C1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005276146	0	41	-2.0	-130.35	325.93	2.22	-128.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=C2F)=NO1	REAL300005276147	0	36	-2.0	-122.17	317.39	9.39	-112.78
COC1=CSC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1OC	REAL300005276148	0	35	-2.0	-120.42	304.95	6.30	-114.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(Br)C2=CC=CN=C12	REAL300005276149	0	35	-2.0	-125.66	308.78	8.97	-116.69
CSC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300005276150	0	37	-2.0	-125.58	333.00	10.03	-115.55
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CC1CCC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1C	REAL300005276202	0	45	-2.0	-115.32	331.07	9.73	-105.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC=CC2=NC=CC=C21	REAL300005276203	0	34	-2.0	-123.02	290.79	7.01	-116.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)CCN1C=CN=N1	REAL300005276204	0	35	-2.0	-120.00	305.12	5.63	-114.37
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276205	0	36	-2.0	-115.85	302.23	8.95	-106.90
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(F)(F)CCN1C=CC=N1	REAL300005276206	0	36	-2.0	-122.30	310.83	7.49	-114.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CSC2=CN=CN21	REAL300005276207	0	30	-2.0	-111.51	278.20	7.96	-103.55
CC1=CC=C(C=CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276208	0	40	-2.0	-125.05	334.83	10.80	-114.25
COC1=CC=C(CN2N=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=C2C)C=C1	REAL300005276209	0	46	-2.0	-127.83	382.87	8.41	-119.42
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1=CC=NC=C1	REAL300005276210	0	41	-2.0	-126.60	348.38	7.35	-119.25
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=C(Br)SC=C1	REAL300005276211	0	33	-2.0	-120.38	312.80	9.16	-111.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(CC(F)(F)F)C=N1	REAL300005276212	0	33	-2.0	-126.18	301.27	9.47	-116.71
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC2=C(Cl)C=CC=C12	REAL300005276213	0	35	-2.0	-119.74	306.83	8.51	-111.23
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276214	0	44	-2.0	-129.02	351.04	11.24	-117.78
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276215	0	44	-2.0	-127.53	349.88	11.20	-116.33
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300005276216	0	43	-2.0	-117.14	358.68	7.55	-109.59
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300005276216	1	43	-2.0	-125.12	360.90	7.66	-117.46
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276217	0	44	-2.0	-122.05	372.02	8.83	-113.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300005276218	0	44	-2.0	-129.86	361.03	11.42	-118.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300005276219	0	32	-2.0	-119.46	309.67	9.49	-109.97
NS(=O)(=O)C1=CSC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276220	0	32	-2.0	-118.59	298.91	1.76	-116.83
CC(C)(C)C1=NC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300005276221	0	38	-2.0	-120.10	313.29	5.29	-114.81
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2C(=O)NC=CC2=C1	REAL300005276222	0	35	-2.0	-135.18	303.85	5.12	-130.06
CC1=CC(Cl)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300005276223	0	33	-2.0	-114.91	307.28	9.39	-105.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2C1	REAL300005276224	0	35	-2.0	-131.08	290.50	9.56	-121.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300005276225	0	37	-2.0	-118.88	330.76	10.65	-108.23
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300005276226	0	43	-2.0	-120.35	363.19	9.71	-110.64
CCC(C)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300005276227	0	42	-2.0	-138.39	337.26	7.75	-130.64
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276228	0	52	-2.0	-127.73	400.08	11.58	-116.15
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276229	0	40	-2.0	-113.96	339.91	9.91	-104.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1COC2=CC=C(Br)C=C2C1	REAL300005276230	0	38	-2.0	-123.80	335.98	9.27	-114.53
CC1=CC=C(OC(C)C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300005276231	0	43	-2.0	-130.60	345.62	10.08	-120.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=CC(Cl)=CC=C21	REAL300005276232	0	36	-2.0	-121.58	317.75	10.51	-111.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2=CC(Br)=CC=C21	REAL300005276233	0	40	-2.0	-113.16	340.87	11.06	-102.10
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCN2N=CN=C2C1	REAL300005276234	0	36	-2.0	-108.43	298.89	8.09	-100.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300005276235	0	39	-2.0	-125.57	332.75	9.28	-116.29
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=NNC=N2)S1	REAL300005276236	0	35	-2.0	-130.73	317.14	7.56	-123.17
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(CC2=CC=CC=C2)=CN1	REAL300005276237	0	41	-2.0	-118.05	342.85	10.84	-107.21
C=CCCC(CC(C)C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276238	0	45	-2.0	-125.08	340.39	9.90	-115.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300005276239	0	43	-2.0	-135.25	362.34	10.23	-125.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CSC=C2)C=C1	REAL300005276240	0	37	-2.0	-129.10	316.99	10.11	-118.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC(Br)=CN=C2C1	REAL300005276241	0	36	-2.0	-116.32	315.64	7.57	-108.75
CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=CC2=NN1	REAL300005276242	0	35	-2.0	-128.91	300.19	6.57	-122.34
CC(C)CC(CC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276243	0	48	-2.0	-131.07	373.51	11.74	-119.33
CC1=CC2=CC=CN=C2C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276244	0	38	-2.0	-135.40	311.07	9.07	-126.33
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CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCC1	REAL300005276264	0	40	-2.0	-122.73	319.92	8.06	-114.67
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CC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])SC2=C(C)S1	REAL300005276275	0	36	-2.0	-125.58	324.69	9.85	-115.73
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COC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CN=C1	REAL300005276277	0	36	-2.0	-122.36	298.80	6.21	-116.15
CCSC1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005276278	0	43	-2.0	-121.69	335.04	9.20	-112.49
CC1=CC(CCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=N1	REAL300005276279	0	41	-2.0	-123.01	341.89	9.07	-113.94
CC1=NN(C2CCC2)C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276280	0	40	-2.0	-119.13	319.87	7.95	-111.18
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300005276281	0	37	-2.0	-126.88	318.75	8.84	-118.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NC2=C1CCC2	REAL300005276282	0	36	-2.0	-117.34	289.88	7.74	-109.60
CCC1=C(C)SC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276283	0	36	-2.0	-126.10	300.68	8.78	-117.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC(OC(F)(F)F)C1	REAL300005276284	0	34	-2.0	-121.29	301.22	6.63	-114.66
CC1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005276285	0	39	-2.0	-132.09	319.45	10.55	-121.54
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C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276290	0	45	-2.0	-123.77	387.63	7.10	-116.67
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276291	0	45	-2.0	-137.84	386.46	7.14	-130.70
CCC1=CC=C(N2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300005276292	0	42	-2.0	-125.35	355.31	9.67	-115.68
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCC(F)(F)C1	REAL300005276293	0	39	-2.0	-111.84	313.65	9.14	-102.70
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276294	0	51	-2.0	-122.79	384.38	12.03	-110.76
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CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276296	0	41	-2.0	-113.16	338.45	9.34	-103.82
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276297	0	38	-2.0	-126.56	333.24	7.95	-118.61
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CC=C(N2CCOCC2)C=C1	REAL300005276298	0	46	-2.0	-126.56	366.38	7.62	-118.94
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300005276299	0	43	-2.0	-120.26	352.32	8.64	-111.62
CCC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300005276300	0	36	-2.0	-124.70	308.65	9.50	-115.20
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276301	0	44	-2.0	-121.30	350.62	7.96	-113.34
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(CC2CC2)C=C1	REAL300005276302	0	40	-2.0	-127.71	332.09	10.73	-116.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NSC2=CC(Br)=CC=C21	REAL300005276303	0	32	-2.0	-118.19	306.65	9.16	-109.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2CCCCC2=C1	REAL300005276304	0	39	-2.0	-128.34	314.81	8.36	-119.98
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276305	0	38	-2.0	-116.85	323.32	9.72	-107.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC1C1=CC=CC=C1Cl	REAL300005276306	0	40	-2.0	-109.28	317.13	10.26	-99.02
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Br)=C2OC=CC2=C1	REAL300005276307	0	33	-2.0	-126.72	305.63	8.63	-118.09
COCCN1C=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005276308	0	44	-2.0	-134.55	366.36	9.37	-125.18
CC(C)N1C=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300005276309	0	43	-2.0	-137.06	350.74	10.80	-126.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=NN1CC1CC1	REAL300005276310	0	37	-2.0	-113.97	304.93	7.83	-106.14
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=NN=CN21	REAL300005276311	0	32	-2.0	-114.71	280.09	8.78	-105.93
C=CCOCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C(C)(C)C	REAL300005276312	0	46	-2.0	-123.13	354.55	8.79	-114.34
CC12CCCN1S(=O)(=O)C(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300005276313	0	42	-2.0	-134.72	330.22	4.69	-130.03
CN1N=CC(C(F)F)=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276314	0	33	-2.0	-117.27	289.59	6.47	-110.80
CC1=NN(C2CCC2)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276315	0	40	-2.0	-125.15	321.15	8.26	-116.89
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276316	0	41	-2.0	-132.28	353.79	10.05	-122.23
CC1(C)CCCOC1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276317	0	43	-2.0	-119.05	325.99	8.36	-110.69
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C=CC1=CC=C(Cl)C=C1F	REAL300005276318	0	34	-2.0	-122.98	315.37	9.87	-113.11
COC1=CC2=CC=C(CC(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005276319	0	43	-2.0	-128.57	357.84	10.33	-118.24
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276320	0	36	-2.0	-112.51	329.72	7.44	-105.07
CCCCOC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276321	0	47	-2.0	-125.36	386.85	11.10	-114.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2C=COC2=C1	REAL300005276322	0	33	-2.0	-132.63	285.01	8.06	-124.57
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300005276323	0	36	-2.0	-114.61	317.39	8.12	-106.49
CC1=C(C)NC(=O)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276324	0	36	-2.0	-132.76	290.56	7.08	-125.68
CC(C)(C)N1C=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300005276325	0	42	-2.0	-124.63	345.16	8.59	-116.04
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300005276326	0	39	-2.0	-116.05	330.03	10.07	-105.98
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NNC=N2)=N1	REAL300005276327	0	38	-2.0	-123.49	333.26	7.10	-116.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2NC=NC2=CC(Br)=C1	REAL300005276328	0	33	-2.0	-112.90	296.27	8.08	-104.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300005276329	0	43	-2.0	-137.64	369.43	10.35	-127.29
CC1=NNC2=C1CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005276330	0	40	-2.0	-125.85	323.94	7.26	-118.59
CC1=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=NN1	REAL300005276330	1	40	-2.0	-120.88	312.79	6.05	-114.83
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=C(Br)C=CS1	REAL300005276331	0	33	-2.0	-122.85	313.45	9.22	-113.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300005276332	0	40	-2.0	-133.72	334.75	8.71	-125.01
NS(=O)(=O)C1=COC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276333	0	32	-2.0	-118.29	296.11	1.53	-116.76
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300005276334	0	40	-2.0	-113.90	339.09	8.29	-105.61
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276335	0	39	-2.0	-121.11	338.74	10.33	-110.78
CSC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005276336	0	36	-2.0	-115.72	315.83	9.20	-106.52
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2N=NC=C2C=C1	REAL300005276337	0	32	-2.0	-118.52	273.73	6.16	-112.36
C[C@@H]1CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NN=C2[C@H](C)O1	REAL300005276338	0	41	-2.0	-114.29	329.55	6.34	-107.95
C[C@@H]1CC2=C(NN=C2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])[C@H](C)O1	REAL300005276338	1	41	-2.0	-131.39	333.15	6.35	-125.04
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCNC1=CN=CN=C1	REAL300005276339	0	36	-2.0	-118.52	307.30	5.80	-112.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C(Br)C=C2N=CNC2=C1	REAL300005276340	0	36	-2.0	-127.37	325.16	8.87	-118.50
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=C(Br)C=C2NC=NC2=C1	REAL300005276340	1	36	-2.0	-126.69	324.94	8.87	-117.82
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C[C@@H](O)C1=CC=CC=C1	REAL300005276341	0	37	-2.0	-127.07	310.68	7.02	-120.05
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC(F)(F)CC1	REAL300005276342	0	39	-2.0	-109.89	305.38	8.67	-101.22
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2=CC=NN2C1	REAL300005276343	0	37	-2.0	-112.91	304.19	7.36	-105.55
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2C=NSC2=CC=C1	REAL300005276344	0	32	-2.0	-115.78	286.76	7.74	-108.04
CS(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300005276345	0	36	-2.0	-117.98	328.48	5.74	-112.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC(C2CC2)=NC=C1Cl	REAL300005276346	0	35	-2.0	-116.64	312.05	9.08	-107.56
CN1N=CC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C21	REAL300005276347	0	42	-2.0	-115.94	342.02	8.75	-107.19
COC1=CC=C(C=CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1OC	REAL300005276348	0	46	-2.0	-128.38	387.04	8.58	-119.80
CC=CC1=CC=C(OCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1	REAL300005276349	0	45	-2.0	-132.85	373.31	10.06	-122.79
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(OC2=CC=CC=C2)CC1	REAL300005276350	0	47	-2.0	-121.10	361.93	9.98	-111.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2=CC=CN=C2C1	REAL300005276351	0	36	-2.0	-124.11	295.10	7.57	-116.54
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=C(Br)C=CC=C2C=C1	REAL300005276352	0	36	-2.0	-134.43	321.64	10.45	-123.98
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300005276353	0	42	-2.0	-120.43	348.08	11.44	-108.99
CC1=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C(F)=C1	REAL300005276354	0	38	-2.0	-129.16	325.94	8.79	-120.37
CN1C=C(C2=NC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CO2)C=N1	REAL300005276355	0	36	-2.0	-127.32	318.98	5.52	-121.80
COC1=C2C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])NC2=C(C)C=C1	REAL300005276356	0	41	-2.0	-123.92	337.05	8.48	-115.44
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005276357	0	47	-2.0	-137.97	388.18	7.90	-130.07
COC1=NC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005276358	0	39	-2.0	-127.75	325.26	6.52	-121.23
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300005276359	0	40	-2.0	-120.67	352.29	9.29	-111.38
CCCCOC1=CC=C(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276360	0	46	-2.0	-124.13	376.73	10.59	-113.54
CC(C)(C)C1=CC=NC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276361	0	41	-2.0	-133.67	330.31	9.65	-124.02
CC1=CN2C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C2S1	REAL300005276362	0	33	-2.0	-124.06	291.19	8.02	-116.04
CCCC(CCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276363	0	48	-2.0	-125.54	375.01	11.16	-114.38
CCC(C)(C)C1CCC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300005276364	0	51	-2.0	-122.73	355.07	9.76	-112.97
COC1CC2(C1)CCC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005276365	0	47	-2.0	-122.83	357.29	8.08	-114.75
CC1=CC2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C=C1	REAL300005276366	0	38	-2.0	-130.03	320.27	8.69	-121.34
CCC(CCC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276367	0	45	-2.0	-124.98	353.62	10.40	-114.58
CN1C=C(C2=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=NO2)N=N1	REAL300005276368	0	35	-2.0	-126.43	312.40	6.14	-120.29
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=C2CCOCC2=C1	REAL300005276369	0	44	-2.0	-127.15	357.50	9.70	-117.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC12CCC(F)(F)CC2	REAL300005276370	0	40	-2.0	-111.49	319.78	9.54	-101.95
CN(C)C1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300005276371	0	40	-2.0	-117.92	338.36	9.01	-108.91
CC(C)(C)C1=CN=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276372	0	41	-2.0	-127.12	328.90	8.17	-118.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300005276373	0	38	-2.0	-123.85	340.85	10.00	-113.85
COC1CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1(C)C	REAL300005276374	0	43	-2.0	-115.66	338.52	8.05	-107.61
CC(C)(C)C1=CC=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=NN21	REAL300005276375	0	44	-2.0	-137.81	349.82	9.09	-128.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2(CC2(F)F)C1	REAL300005276376	0	37	-2.0	-109.08	310.99	9.15	-99.93
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCCC2C1C2(F)F	REAL300005276377	0	37	-2.0	-120.67	300.94	8.86	-111.81
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276378	0	41	-2.0	-121.87	336.16	9.79	-112.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=CC=CC(Br)=C1F	REAL300005276379	0	36	-2.0	-130.25	329.83	10.22	-120.03
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C(C(F)F)=NN1C	REAL300005276380	0	36	-2.0	-124.58	310.35	6.73	-117.85
COC1=CC(Br)=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300005276381	0	34	-2.0	-113.12	310.52	7.66	-105.46
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2CCCC2)=NN1	REAL300005276382	0	40	-2.0	-122.50	318.71	8.01	-114.49
COC1=CC=CC=C1OC(C)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276383	0	41	-2.0	-131.46	333.08	8.29	-123.17
CC1=C(Cl)C=NN1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276384	0	33	-2.0	-116.83	299.84	7.13	-109.70
CC1=CC=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1S(=O)(=O)N(C)C	REAL300005276385	0	44	-2.0	-140.40	360.14	6.13	-134.27
CCC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])N2C=C(C)SC2=N1	REAL300005276386	0	39	-2.0	-119.75	341.27	9.74	-110.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(C2CCCO2)O1	REAL300005276387	0	42	-2.0	-122.45	330.32	7.24	-115.21
CN1N=NC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300005276388	0	35	-2.0	-135.55	295.34	6.31	-129.24
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2OCCCC2=C1	REAL300005276389	0	37	-2.0	-128.63	305.65	5.21	-123.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=NC=C2)=NO1	REAL300005276390	0	35	-2.0	-114.74	309.35	7.66	-107.08
CC1=CC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])S2)S1	REAL300005276391	0	33	-2.0	-120.26	302.36	9.14	-111.12
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC=CC2=CC=CC=C21	REAL300005276392	0	38	-2.0	-128.05	311.98	10.10	-117.95
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CS1	REAL300005276393	0	27	-2.0	-111.38	262.05	7.31	-104.07
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300005276394	0	36	-2.0	-115.49	328.99	10.23	-105.26
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN2C=NN=C2C=N1	REAL300005276395	0	31	-2.0	-111.94	272.46	8.56	-103.38
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276396	0	41	-2.0	-133.85	353.94	4.32	-129.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300005276397	0	43	-2.0	-110.51	366.70	11.55	-98.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CC2=NC=CC=C12	REAL300005276398	0	35	-2.0	-121.46	295.47	8.08	-113.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=C2SC=CC2=CN=C1	REAL300005276399	0	32	-2.0	-123.54	281.06	7.18	-116.36
COC1CC2(C1)CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300005276400	0	41	-2.0	-112.65	329.44	7.86	-104.79
CC1=CC2=C(OCC2)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276401	0	38	-2.0	-129.79	307.01	8.72	-121.07
CC(C)OCC1=CC=CC=C1CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276402	0	46	-2.0	-126.98	374.27	10.31	-116.67
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300005276403	0	37	-2.0	-126.19	334.01	10.75	-115.44
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C2=CC=CC=N2)=NN1	REAL300005276404	0	36	-2.0	-119.11	310.86	6.69	-112.42
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NNC(C2=CC=CC=N2)=C1	REAL300005276404	1	36	-2.0	-129.00	313.06	6.80	-122.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC=N2)S1	REAL300005276405	0	36	-2.0	-121.69	318.46	8.87	-112.82
NS(=O)(=O)C1=CC=C(SCC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300005276406	0	39	-2.0	-126.63	355.05	4.23	-122.40
CN(C)C1=CC2=CC=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300005276407	0	44	-2.0	-134.42	348.99	10.26	-124.16
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1C(F)(F)C12CCC2	REAL300005276408	0	34	-2.0	-116.25	291.80	8.60	-107.65
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])OC(S(N)(=O)=O)=C1	REAL300005276409	0	35	-2.0	-124.68	314.28	2.23	-122.45
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300005276410	0	37	-2.0	-126.70	313.43	9.92	-116.78
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC2(CC2(F)F)CC1	REAL300005276411	0	40	-2.0	-119.00	313.45	8.68	-110.32
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CC2(CC2(F)F)C1	REAL300005276412	0	34	-2.0	-122.78	295.79	8.65	-114.13
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL300005276414	0	47	-2.0	-120.60	367.53	9.41	-111.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CN1N=NC2=CC=CC=C21	REAL300005276415	0	35	-2.0	-125.32	305.71	6.84	-118.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=NC2=CC=CNC2=C1	REAL300005276416	0	33	-2.0	-155.58	285.10	7.06	-148.52
CN1C=NC2=C1CCCC2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276417	0	40	-2.0	-138.51	321.82	9.37	-129.14
COC1=C(Cl)C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C21	REAL300005276418	0	39	-2.0	-127.88	339.24	8.53	-119.35
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=CN2N=NC=C12	REAL300005276419	0	32	-2.0	-118.00	282.04	6.33	-111.67
CC(C)(C)C1CCC2=C(C=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C(=O)N2)C1	REAL300005276421	0	52	-2.0	-134.08	386.12	9.42	-124.66
CC1=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)C(C)C	REAL300005276422	0	45	-2.0	-122.98	352.23	8.81	-114.17
CCCSC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276423	0	40	-2.0	-131.91	340.78	10.38	-121.53
COC1=CC=C2C(=C1)CCCC2C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276424	0	44	-2.0	-123.82	351.09	9.51	-114.31
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300005276425	0	39	-2.0	-125.28	343.20	11.15	-114.13
CCCCSC1=CC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276426	0	43	-2.0	-131.64	362.28	11.16	-120.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C(O)C1=CC=C(Cl)C=C1Cl	REAL300005276427	0	34	-2.0	-120.98	314.89	6.81	-114.17
CC1=NC=NC2=C1CC(C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300005276428	0	41	-2.0	-118.43	324.71	8.05	-110.38
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=COC2=CC=C(Br)C=C12	REAL300005276429	0	33	-2.0	-119.32	301.97	8.80	-110.52
COC1=CC=CC(CC(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005276430	0	36	-2.0	-133.92	308.04	5.72	-128.20
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1CCC(OC(F)(F)F)CC1	REAL300005276431	0	40	-2.0	-118.72	326.18	7.09	-111.63
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1=CSC(Cl)=C1	REAL300005276432	0	30	-2.0	-117.86	289.40	8.33	-109.53
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC2=CC=C(Br)C=C2O1	REAL300005276433	0	33	-2.0	-119.12	307.82	9.67	-109.45
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276434	0	39	-2.0	-113.25	344.87	10.02	-103.23
CC(CC(=O)N1C(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300005276435	0	35	-2.0	-119.27	295.29	8.08	-111.19
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCC2(CCCC2)CC1	REAL300005276436	0	49	-2.0	-123.84	359.96	11.07	-112.77
CC1COC2=C(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300005276437	0	38	-2.0	-129.32	312.99	8.29	-121.03
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2CCOCC2=C1	REAL300005276438	0	37	-2.0	-124.34	305.84	5.86	-118.48
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1COCC2=CC=CC=C21	REAL300005276439	0	41	-2.0	-117.01	328.88	8.57	-108.44
CC1=NN=C2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300005276440	0	36	-2.0	-115.78	298.17	8.06	-107.72
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CC1CCCCCC1(F)F	REAL300005276441	0	42	-2.0	-114.43	320.33	9.44	-104.99
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC(C(=O)C2=CC=CC=C2)=CC=C1	REAL300005276442	0	42	-2.0	-132.48	355.46	11.07	-121.41
CC1CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])CCS1(=O)=O	REAL300005276443	0	39	-2.0	-116.33	311.27	3.98	-112.35
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CC(C)CC1=NC=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300005276517	0	40	-2.0	-118.70	326.36	8.94	-109.76
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CCCC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300005276530	0	39	-2.0	-127.86	323.06	8.30	-119.56
CCCC1=NN(C)C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276531	0	39	-2.0	-114.11	317.01	7.54	-106.57
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CC1=NC=C2C=CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])=CN21	REAL300005276537	1	36	-2.0	-121.43	299.94	8.91	-112.52
CC1=CN2CC(C(=O)N3C(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300005276538	0	40	-2.0	-118.31	319.87	7.92	-110.39
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CN=C2COCCC2=C1	REAL300005276539	0	37	-2.0	-124.41	305.78	5.95	-118.46
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276540	0	38	-2.0	-106.14	318.49	9.63	-96.51
CC1=CC(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=NN1CC(F)(F)F	REAL300005276541	0	36	-2.0	-125.13	320.17	8.03	-117.10
CN1C=C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC(Cl)=C21	REAL300005276542	0	37	-2.0	-122.40	317.62	9.70	-112.70
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CCC(=CC1=CC=CC=C1)C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276588	0	40	-2.0	-129.66	317.95	9.97	-119.69
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CC1C(C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])C1C1=CC=CC=C1	REAL300005276595	0	40	-2.0	-120.76	323.56	10.42	-110.34
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CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300005276597	0	43	-2.0	-119.13	347.99	11.39	-107.74
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300005276602	0	41	-2.0	-120.43	337.32	8.78	-111.65
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CC1=C(CCC(=O)NC(C)C=CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005277941	1	48	-2.0	-101.59	396.60	5.64	-95.95
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C=CC(=O)[O-])=C1	REAL300005278255	0	38	-2.0	-99.40	338.77	3.47	-95.93
CC(C=CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005278502	1	42	-2.0	-96.19	384.53	5.73	-90.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C=CC(=O)[O-]	REAL300005278545	0	38	-2.0	-100.42	338.84	3.69	-96.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)C=CC(=O)[O-])C=C1	REAL300005278583	1	40	-2.0	-109.12	360.80	8.60	-100.52
CC(C=CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005278633	1	42	-2.0	-92.06	384.33	5.76	-86.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C=CC(=O)[O-])C=C1	REAL300005278635	1	45	-2.0	-94.33	398.00	6.45	-87.88
CC(C=CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005278750	1	42	-2.0	-98.61	377.93	5.69	-92.92
CC(C=CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005278751	1	42	-2.0	-100.89	378.10	5.68	-95.21
CC1=CC(C(=O)NC(C)C=CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005278762	0	38	-2.0	-83.52	359.34	3.87	-79.65
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C=CC(=O)[O-])C=C2)C=C1	REAL300005278882	1	45	-2.0	-94.87	399.50	6.36	-88.51
CC(C=CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005278964	0	39	-2.0	-97.63	369.84	4.70	-92.93
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005278981	1	41	-2.0	-92.58	365.27	1.89	-90.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C=CC(=O)[O-])O1	REAL300005278982	1	32	-2.0	-91.80	309.82	-0.51	-92.31
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C=CC(=O)[O-])=C2)C=C1	REAL300005279091	1	45	-2.0	-102.82	399.51	6.34	-96.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C=CC(=O)[O-])=C2)=C1	REAL300005279128	1	45	-2.0	-103.31	399.51	6.35	-96.96
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C=CC(=O)[O-])=C1	REAL300005279199	0	42	-2.0	-106.40	373.46	1.68	-104.72
CC(C=CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005279247	0	35	-2.0	-99.05	317.38	2.79	-96.26
CC(C=CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005279256	0	39	-2.0	-99.22	370.03	4.69	-94.53
CC(C=CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005279257	0	42	-2.0	-104.60	394.68	5.35	-99.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)C=CC(=O)[O-])=CS1	REAL300005279559	1	39	-2.0	-98.48	351.55	3.89	-94.59
CC(C=CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005279732	0	35	-2.0	-93.58	323.79	2.84	-90.74
CC1=C(CC(=O)NC(C)C=CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005279741	1	41	-2.0	-102.84	362.41	4.08	-98.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C=CC(=O)[O-]	REAL300005279746	0	41	-2.0	-100.83	360.33	4.47	-96.36
CC1=C(C(=O)NC(C)C=CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005279796	1	41	-2.0	-97.89	341.39	4.30	-93.59
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005279902	1	42	-2.0	-94.37	378.08	5.68	-88.69
CC(C=CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005280318	0	41	-2.0	-103.77	363.25	5.05	-98.72
CC(C=CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005280399	0	28	-2.0	-85.60	297.75	5.00	-80.60
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005280452	1	31	-2.0	-99.23	293.50	6.25	-92.98
CC(C=CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005280528	0	34	-2.0	-95.82	318.42	1.82	-94.00
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005280581	1	41	-2.0	-90.59	373.13	3.91	-86.68
CC(C)C1=CC(N2C=C([O-])C(C(=O)NC(C)C=CC(=O)[O-])=N2)=CC=C1	REAL300005280596	0	44	-2.0	-112.53	378.01	6.85	-105.68
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)C=CC(=O)[O-])=N2)C=C1	REAL300005280597	0	44	-2.0	-111.06	377.94	6.85	-104.21
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C=CC(=O)[O-])=N1	REAL300005280651	0	38	-2.0	-107.81	345.48	5.95	-101.86
CC(C=CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005280654	0	35	-2.0	-108.81	324.16	5.00	-103.81
CC(C=CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005280682	0	35	-2.0	-85.57	339.64	3.10	-82.47
CC(C=CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005280713	0	27	-2.0	-89.02	278.88	2.83	-86.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C=CC(=O)[O-])=N2)=C1	REAL300005280749	0	38	-2.0	-115.21	342.50	5.59	-109.62
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CCOC1=CC(C(=O)NC(C)C=CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005280842	1	35	-2.0	-93.56	324.04	5.27	-88.29
CC(C=CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005280846	0	38	-2.0	-116.10	347.65	6.37	-109.73
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C=CC(=O)[O-])=N2)C=C1	REAL300005280852	0	39	-2.0	-111.13	347.23	4.23	-106.90
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C=CC(=O)[O-])=CO1	REAL300005280867	1	32	-2.0	-93.71	308.96	-0.55	-94.26
CC(C=CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005281307	0	28	-2.0	-95.82	287.59	6.29	-89.53
CC1=C(C(=O)NC(C)C=CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005281477	0	36	-2.0	-101.02	321.62	3.36	-97.66
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=C1	REAL300005282433	1	44	-2.0	-129.37	375.33	9.29	-120.08
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)CC1=O	REAL300005282794	1	45	-2.0	-97.38	376.00	2.52	-94.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])O1	REAL300005282795	1	36	-2.0	-97.25	320.64	0.15	-97.10
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(=O)N(C)CC2C(=O)[O-])=CS1	REAL300005283284	1	43	-2.0	-120.40	365.77	4.61	-115.79
CC1=C(CC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005283481	1	45	-2.0	-126.34	375.75	4.84	-121.50
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1=O	REAL300005284361	1	35	-2.0	-118.58	313.03	5.14	-113.44
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1=O	REAL300005284446	0	38	-2.0	-109.43	336.20	2.33	-107.10
CN1CC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1=O	REAL300005284468	1	37	-2.0	-116.14	317.57	3.58	-112.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])=N2)=C1	REAL300005284520	0	48	-2.0	-136.67	388.24	7.50	-129.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])=N2)C=C1	REAL300005284521	0	48	-2.0	-135.15	388.15	7.50	-127.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300005284583	0	42	-2.0	-130.42	358.52	6.36	-124.06
CN1CC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1=O	REAL300005284588	0	39	-2.0	-132.84	334.39	5.64	-127.20
CN1CC(C(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1=O	REAL300005284612	1	37	-2.0	-138.32	308.59	6.45	-131.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])=N2)=C1	REAL300005284738	0	42	-2.0	-140.52	352.63	6.29	-134.23
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300005284739	0	45	-2.0	-138.17	364.97	6.71	-131.46
CC1=C(CC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005284789	1	45	-2.0	-127.21	375.89	4.73	-122.48
CN1CC(C(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1=O	REAL300005284834	0	32	-2.0	-99.35	294.65	4.68	-94.67
COC1=C(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005284841	1	35	-2.0	-99.22	305.00	-1.55	-100.77
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1=O	REAL300005284935	0	32	-2.0	-99.81	292.57	4.83	-94.98
CCOC1=CC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005284938	1	39	-2.0	-104.42	334.86	5.54	-98.88
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(=O)N(C)CC3C(=O)[O-])=N2)C=C1	REAL300005284946	0	43	-2.0	-134.94	357.46	4.87	-130.07
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=CO1	REAL300005284960	1	36	-2.0	-104.16	324.55	0.08	-104.08
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300005285087	0	35	-2.0	-91.21	303.00	3.30	-87.91
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300005285087	1	35	-2.0	-91.21	303.07	3.31	-87.90
COCC1=NC=C(C(=O)N2CC(=O)N(C)CC2C(=O)[O-])C(=O)[N-]1	REAL300005285332	1	37	-2.0	-114.95	319.43	1.23	-113.72
CN1CC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1=O	REAL300005285369	1	40	-2.0	-116.86	333.33	4.18	-112.68
CN1CC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1=O	REAL300005285600	0	32	-2.0	-114.63	307.21	5.20	-109.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300005286861	0	43	-2.0	-108.06	382.43	2.52	-105.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CN(CC(=O)[O-])N=N1	REAL300005287154	0	43	-2.0	-109.10	382.50	2.74	-106.36
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)O1	REAL300005287602	1	46	-2.0	-93.55	408.93	0.95	-92.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)O1	REAL300005287603	1	37	-2.0	-93.20	353.48	-1.47	-94.67
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CN(CC(=O)[O-])N=N1	REAL300005287863	0	40	-2.0	-107.76	361.03	1.84	-105.92
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=CN(CC(=O)[O-])N=N2)=CS1	REAL300005288204	1	44	-2.0	-108.44	395.22	2.94	-105.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=CN(CC(=O)[O-])N=N1	REAL300005288433	0	40	-2.0	-101.07	367.44	1.91	-99.16
CC1=C(CC(=O)NCCC2=CN(CC(=O)[O-])N=N2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005288435	1	46	-2.0	-111.51	405.16	3.10	-108.41
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CN(CC(=O)[O-])N=N1	REAL300005288438	0	46	-2.0	-109.55	404.00	3.53	-106.02
CC1=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005288521	1	46	-2.0	-95.57	385.12	3.33	-92.24
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C([O-])C(F)=C2)N=N1	REAL300005289574	1	33	-2.0	-98.12	306.85	2.78	-95.34
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N=N1	REAL300005289586	1	36	-2.0	-109.03	337.17	5.32	-103.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)C=N1	REAL300005289694	0	39	-2.0	-99.20	362.08	0.87	-98.33
O=C([O-])CN1C=C(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)N=N1	REAL300005289730	1	38	-2.0	-95.00	339.90	2.27	-92.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=CN(CC(=O)[O-])N=N3)=N2)=C1	REAL300005289787	0	49	-2.0	-118.07	421.68	5.92	-112.15
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CN(CC(=O)[O-])N=N3)=N2)C=C1	REAL300005289788	0	49	-2.0	-117.20	421.61	5.91	-111.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)=N1	REAL300005289883	0	43	-2.0	-114.43	389.17	5.02	-109.41
O=C([O-])CN1C=C(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])N=N1	REAL300005289888	0	40	-2.0	-116.09	367.83	4.06	-112.03
O=C([O-])CN1C=C(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=N1	REAL300005289929	1	38	-2.0	-116.47	340.99	4.94	-111.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=CN(CC(=O)[O-])N=N3)=N2)=C1	REAL300005290092	0	43	-2.0	-121.98	386.17	4.65	-117.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)=N1	REAL300005290093	0	46	-2.0	-120.04	402.67	5.73	-114.31
CC1=C(CC(=O)NCCC2=CN(CC(=O)[O-])N=N2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005290170	1	46	-2.0	-110.09	405.34	3.09	-107.00
O=C([O-])CN1C=C(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=N1	REAL300005290232	0	33	-2.0	-96.11	322.85	3.33	-92.78
COC1=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)NC(=O)[N-]C1=O	REAL300005290249	1	36	-2.0	-97.90	329.00	-1.59	-99.49
O=C([O-])CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL300005290348	0	36	-2.0	-104.39	325.79	1.62	-102.77
O=C([O-])CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL300005290348	1	36	-2.0	-104.44	325.85	1.64	-102.80
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)N=N1	REAL300005290385	0	33	-2.0	-95.03	316.65	3.26	-91.77
CCOC1=CC(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)=CC(Cl)=C1[O-]	REAL300005290389	1	40	-2.0	-99.14	367.69	4.30	-94.84
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CN(CC(=O)[O-])N=N3)=N2)C=C1	REAL300005290399	0	44	-2.0	-117.20	390.90	3.31	-113.89
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)=CO1	REAL300005290423	1	37	-2.0	-103.56	352.62	-1.49	-105.05
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300005290586	0	36	-2.0	-89.77	336.39	1.42	-88.35
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300005290586	1	36	-2.0	-89.75	336.45	1.43	-88.32
COCC1=NC=C(C(=O)NCCC2=CN(CC(=O)[O-])N=N2)C(=O)[N-]1	REAL300005290919	1	38	-2.0	-94.55	341.74	-0.09	-94.64
O=C([O-])CN1C=C(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)N=N1	REAL300005290967	1	41	-2.0	-94.97	355.65	2.82	-92.15
O=C([O-])CN1C=C(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N=N1	REAL300005291288	0	33	-2.0	-104.48	331.25	5.36	-99.12
CS(=O)(=NC(=O)C1=CC2=C([N-]1)C(C(=O)[O-])=CO2)C1=CC=C(N)C=C1	REAL300005292171	1	35	-2.0	-142.75	329.27	1.53	-141.22
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292185	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292185	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292186	0	39	-2.0	-102.56	357.06	4.93	-97.63
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292186	1	39	-2.0	-102.56	357.11	4.95	-97.61
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292187	0	35	-2.0	-106.23	325.98	4.66	-101.57
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292187	1	35	-2.0	-106.21	326.04	4.68	-101.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300005292188	0	32	-2.0	-91.16	320.27	3.81	-87.35
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300005292188	1	32	-2.0	-91.19	320.32	3.83	-87.36
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300005292189	0	34	-2.0	-99.69	324.09	2.93	-96.76
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300005292189	1	34	-2.0	-99.71	324.15	2.94	-96.77
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=N[N-]N=N1	REAL300005292190	0	42	-2.0	-113.38	378.72	6.43	-106.95
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=NN=N[N-]1	REAL300005292190	1	42	-2.0	-113.36	378.78	6.44	-106.92
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300005292191	0	46	-2.0	-97.07	408.05	5.61	-91.46
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300005292191	1	46	-2.0	-97.11	408.10	5.63	-91.48
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292192	0	41	-2.0	-97.19	372.05	6.14	-91.05
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292192	1	41	-2.0	-97.15	372.10	6.15	-91.00
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292193	0	34	-2.0	-105.41	322.06	2.89	-102.52
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292193	1	34	-2.0	-105.35	322.12	2.90	-102.45
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292194	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292194	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292195	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292195	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292196	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292196	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300005292197	0	42	-2.0	-102.25	374.75	5.99	-96.26
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300005292197	1	42	-2.0	-102.24	374.69	5.98	-96.26
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292198	0	32	-2.0	-91.67	312.41	3.05	-88.62
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292198	1	32	-2.0	-91.66	312.47	3.06	-88.60
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300005292199	0	41	-2.0	-119.24	363.44	5.87	-113.37
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300005292199	1	41	-2.0	-119.19	363.50	5.89	-113.30
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300005292200	0	45	-2.0	-93.98	398.76	6.40	-87.58
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300005292200	1	45	-2.0	-93.96	398.82	6.41	-87.55
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292201	0	38	-2.0	-117.00	350.65	5.32	-111.68
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292201	1	38	-2.0	-117.02	350.71	5.33	-111.69
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292202	0	41	-2.0	-106.66	351.60	4.86	-101.80
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292202	1	41	-2.0	-106.64	351.65	4.88	-101.76
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300005292203	0	34	-2.0	-93.55	321.85	2.86	-90.69
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300005292203	1	34	-2.0	-93.54	321.91	2.88	-90.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300005292204	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300005292204	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300005292205	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300005292205	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300005292206	0	35	-2.0	-93.39	330.50	4.73	-88.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300005292206	1	35	-2.0	-93.38	330.56	4.75	-88.63
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300005292207	0	33	-2.0	-88.91	319.02	1.08	-87.83
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300005292207	1	33	-2.0	-88.90	318.96	1.06	-87.84
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300005292208	0	41	-2.0	-94.14	350.79	4.86	-89.28
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300005292208	1	41	-2.0	-94.18	350.84	4.88	-89.30
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300005292209	0	41	-2.0	-96.51	352.10	4.89	-91.62
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300005292209	1	41	-2.0	-96.45	352.16	4.90	-91.55
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292210	0	38	-2.0	-105.73	350.64	5.33	-100.40
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292210	1	38	-2.0	-105.70	350.70	5.35	-100.35
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=NN=N[N-]1	REAL300005292211	0	34	-2.0	-108.65	327.85	1.33	-107.32
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=N[N-]N=N1	REAL300005292211	1	34	-2.0	-108.70	327.80	1.31	-107.39
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=N[N-]N=N1	REAL300005292212	0	37	-2.0	-90.01	343.31	3.54	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=NN=N[N-]1	REAL300005292212	1	37	-2.0	-90.02	343.37	3.55	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292213	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292213	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292214	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292214	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292215	0	38	-2.0	-106.40	348.16	5.41	-100.99
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292215	1	38	-2.0	-106.36	348.22	5.43	-100.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300005292216	0	45	-2.0	-137.95	392.02	8.02	-129.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300005292216	1	45	-2.0	-137.93	392.08	8.03	-129.90
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=N[N-]N=N1	REAL300005292217	0	35	-2.0	-117.48	328.43	3.56	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=NN=N[N-]1	REAL300005292217	1	35	-2.0	-117.50	328.49	3.58	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=N[N-]N=N1	REAL300005292218	0	38	-2.0	-117.47	355.28	4.18	-113.29
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=NN=N[N-]1	REAL300005292218	1	38	-2.0	-117.48	355.34	4.19	-113.29
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NN=N[N-]1	REAL300005292219	0	34	-2.0	-99.25	323.63	2.95	-96.30
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=N[N-]N=N1	REAL300005292219	1	34	-2.0	-99.27	323.57	2.94	-96.33
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL300005292220	0	36	-2.0	-94.64	329.41	4.22	-90.42
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=NN=N[N-]1	REAL300005292220	1	36	-2.0	-94.63	329.47	4.23	-90.40
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300005292221	0	44	-2.0	-103.30	370.78	5.59	-97.71
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300005292221	1	44	-2.0	-103.26	370.84	5.61	-97.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=N[N-]N=N1	REAL300005292222	0	42	-2.0	-102.00	359.79	5.03	-96.97
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=NN=N[N-]1	REAL300005292222	1	42	-2.0	-102.04	359.85	5.04	-97.00
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300005292223	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300005292223	1	45	-2.0	-94.83	369.60	5.56	-89.27
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300005292224	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300005292224	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300005292225	0	37	-2.0	-102.50	325.38	3.71	-98.79
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300005292225	1	37	-2.0	-102.55	325.44	3.72	-98.83
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=NN=N[N-]1	REAL300005292226	0	37	-2.0	-101.87	347.90	3.97	-97.90
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=N[N-]N=N1	REAL300005292226	1	37	-2.0	-101.89	347.84	3.95	-97.94
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300005292227	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300005292227	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292228	0	31	-2.0	-87.22	306.90	2.25	-84.97
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292228	1	31	-2.0	-87.20	306.85	2.23	-84.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=N[N-]N=N1	REAL300005292229	0	38	-2.0	-93.60	330.19	4.31	-89.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=NN=N[N-]1	REAL300005292229	1	38	-2.0	-93.62	330.25	4.32	-89.30
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=N[N-]N=N1	REAL300005292230	0	48	-2.0	-96.80	404.88	7.55	-89.25
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=NN=N[N-]1	REAL300005292230	1	48	-2.0	-96.82	404.94	7.56	-89.26
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292231	0	35	-2.0	-93.77	329.11	3.79	-89.98
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292231	1	35	-2.0	-93.80	329.16	3.80	-90.00
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292232	0	35	-2.0	-92.81	330.33	3.63	-89.18
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292232	1	35	-2.0	-92.83	330.39	3.64	-89.19
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300005292233	0	35	-2.0	-106.22	332.78	2.81	-103.41
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300005292233	1	35	-2.0	-106.22	332.73	2.79	-103.43
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292234	0	36	-2.0	-94.66	345.53	4.24	-90.42
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292234	1	36	-2.0	-94.63	345.59	4.25	-90.38
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300005292235	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300005292235	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292236	0	39	-2.0	-93.19	356.98	4.95	-88.24
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292236	1	39	-2.0	-93.18	357.04	4.96	-88.22
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300005292237	0	44	-2.0	-99.93	394.27	5.22	-94.71
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300005292237	1	44	-2.0	-99.95	394.33	5.24	-94.71
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=N[N-]N=N1	REAL300005292238	0	35	-2.0	-93.94	335.81	3.84	-90.10
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=NN=N[N-]1	REAL300005292238	1	35	-2.0	-93.92	335.87	3.86	-90.06
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300005292239	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300005292239	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300005292240	0	35	-2.0	-95.66	328.38	2.33	-93.33
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL300005292240	1	35	-2.0	-95.64	328.32	2.32	-93.32
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292241	0	39	-2.0	-108.80	348.27	4.15	-104.65
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292241	1	39	-2.0	-108.80	348.33	4.17	-104.63
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=N[N-]N=N1	REAL300005292242	0	40	-2.0	-105.06	343.94	4.20	-100.86
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=NN=N[N-]1	REAL300005292242	1	40	-2.0	-105.03	344.00	4.21	-100.82
CSCC[C@H](NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292243	0	38	-2.0	-97.37	348.15	5.42	-91.95
CSCC[C@H](NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292243	1	38	-2.0	-97.35	348.21	5.44	-91.91
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292244	0	39	-2.0	-95.21	358.05	5.96	-89.25
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292244	1	39	-2.0	-95.17	358.11	5.98	-89.19
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=N[N-]N=N1	REAL300005292245	0	36	-2.0	-94.95	345.05	4.11	-90.84
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=NN=N[N-]1	REAL300005292245	1	36	-2.0	-94.93	345.11	4.12	-90.81
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=N[N-]N=N1	REAL300005292246	0	41	-2.0	-118.77	361.36	6.20	-112.57
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=NN=N[N-]1	REAL300005292246	1	41	-2.0	-118.75	361.41	6.22	-112.53
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=NN=N[N-]1	REAL300005292247	0	38	-2.0	-119.46	358.81	0.40	-119.06
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=N[N-]N=N1	REAL300005292247	1	38	-2.0	-119.51	358.75	0.39	-119.12
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292248	0	36	-2.0	-94.82	346.58	4.45	-90.37
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292248	1	36	-2.0	-94.82	346.64	4.47	-90.35
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292249	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292249	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292250	0	38	-2.0	-106.63	341.95	5.20	-101.43
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292250	1	38	-2.0	-106.63	342.00	5.21	-101.42
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292251	0	34	-2.0	-97.12	321.20	2.87	-94.25
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292251	1	34	-2.0	-97.04	321.14	2.85	-94.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300005292252	0	37	-2.0	-91.13	337.42	3.50	-87.63
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300005292252	1	37	-2.0	-91.13	337.47	3.52	-87.61
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300005292253	0	35	-2.0	-116.54	332.11	2.83	-113.71
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300005292253	1	35	-2.0	-116.53	332.06	2.82	-113.71
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300005292254	0	41	-2.0	-115.93	375.72	4.19	-111.74
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300005292254	1	41	-2.0	-115.95	375.66	4.18	-111.77
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292255	0	42	-2.0	-107.50	369.54	4.57	-102.93
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292255	1	42	-2.0	-107.57	369.60	4.58	-102.99
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=N[N-]N=N1	REAL300005292256	0	42	-2.0	-96.22	368.79	3.44	-92.78
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=NN=N[N-]1	REAL300005292256	1	42	-2.0	-96.21	368.85	3.46	-92.75
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300005292257	0	35	-2.0	-92.53	330.21	3.73	-88.80
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300005292257	1	35	-2.0	-92.56	330.27	3.74	-88.82
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300005292258	0	43	-2.0	-103.80	355.66	5.76	-98.04
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300005292258	1	43	-2.0	-103.70	355.73	5.78	-97.92
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300005292259	0	37	-2.0	-106.76	321.42	3.74	-103.02
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300005292259	1	37	-2.0	-106.78	321.48	3.75	-103.03
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300005292260	0	41	-2.0	-123.87	339.36	5.40	-118.47
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300005292260	1	41	-2.0	-123.87	339.42	5.41	-118.46
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292261	1	43	-2.0	-96.80	365.16	2.70	-94.10
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292261	1	43	-2.0	-96.77	365.21	2.71	-94.06
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300005292262	0	42	-2.0	-107.87	375.90	6.59	-101.28
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300005292262	1	42	-2.0	-107.87	375.96	6.60	-101.27
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300005292263	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300005292263	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300005292264	0	42	-2.0	-109.97	383.99	6.77	-103.20
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300005292264	1	42	-2.0	-109.97	384.05	6.79	-103.18
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292265	0	39	-2.0	-98.27	348.36	5.01	-93.26
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292265	1	39	-2.0	-98.24	348.42	5.02	-93.22
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300005292266	0	41	-2.0	-111.11	359.23	5.70	-105.41
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300005292266	1	41	-2.0	-111.08	359.29	5.71	-105.37
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300005292267	0	38	-2.0	-97.87	342.01	5.33	-92.54
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300005292267	1	38	-2.0	-97.89	342.06	5.34	-92.55
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300005292268	0	38	-2.0	-91.69	335.09	4.06	-87.63
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300005292268	1	38	-2.0	-91.66	335.15	4.08	-87.58
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=N[N-]N=N1	REAL300005292269	0	32	-2.0	-117.67	313.76	4.58	-113.09
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=NN=N[N-]1	REAL300005292269	1	32	-2.0	-117.66	313.81	4.59	-113.07
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL300005292270	0	32	-2.0	-96.92	309.84	1.07	-95.85
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL300005292270	1	32	-2.0	-96.89	309.90	1.08	-95.81
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300005292271	0	37	-2.0	-93.57	331.65	3.42	-90.15
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300005292271	1	37	-2.0	-93.57	331.71	3.44	-90.13
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300005292272	0	37	-2.0	-91.89	325.95	4.05	-87.84
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300005292272	1	37	-2.0	-91.88	326.00	4.07	-87.81
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300005292273	0	38	-2.0	-92.86	341.99	5.33	-87.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300005292273	1	38	-2.0	-92.84	342.05	5.35	-87.49
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300005292274	0	35	-2.0	-91.94	338.46	5.17	-86.77
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300005292274	1	35	-2.0	-91.94	338.51	5.18	-86.76
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=N[N-]N=N1	REAL300005292275	0	42	-2.0	-98.24	366.91	5.51	-92.73
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=NN=N[N-]1	REAL300005292275	1	42	-2.0	-98.24	366.96	5.53	-92.71
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300005292276	0	38	-2.0	-97.08	353.83	2.26	-94.82
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300005292276	1	38	-2.0	-97.10	353.88	2.27	-94.83
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=N[N-]N=N1	REAL300005292277	0	36	-2.0	-95.33	328.91	3.86	-91.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=NN=N[N-]1	REAL300005292277	1	36	-2.0	-95.36	328.97	3.87	-91.49
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=N[N-]N=N1	REAL300005292278	0	36	-2.0	-93.15	322.44	4.18	-88.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN=N[N-]1	REAL300005292278	1	36	-2.0	-93.18	322.50	4.19	-88.99
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292279	0	41	-2.0	-93.68	369.55	6.23	-87.45
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292279	1	41	-2.0	-93.70	369.61	6.24	-87.46
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=N[N-]N=N1	REAL300005292280	0	35	-2.0	-109.66	321.53	2.46	-107.20
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=NN=N[N-]1	REAL300005292280	1	35	-2.0	-109.67	321.58	2.47	-107.20
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=N[N-]N=N1	REAL300005292281	0	38	-2.0	-95.18	337.91	4.39	-90.79
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=NN=N[N-]1	REAL300005292281	1	38	-2.0	-95.15	337.96	4.41	-90.74
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=N[N-]N=N1	REAL300005292282	0	39	-2.0	-93.31	360.05	5.16	-88.15
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=NN=N[N-]1	REAL300005292282	1	39	-2.0	-93.33	360.11	5.17	-88.16
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300005292283	0	31	-2.0	-94.20	315.70	1.81	-92.39
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300005292283	1	31	-2.0	-94.17	315.64	1.79	-92.38
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300005292284	0	35	-2.0	-94.95	336.40	4.51	-90.44
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300005292284	1	35	-2.0	-94.95	336.46	4.52	-90.43
CSCC[C@H](NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=N[N-]N=N1	REAL300005292285	0	35	-2.0	-91.80	355.78	5.23	-86.57
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300005292286	0	39	-2.0	-100.31	363.69	4.35	-95.96
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300005292286	1	39	-2.0	-100.30	363.74	4.37	-95.93
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300005292287	0	38	-2.0	-92.89	354.02	5.05	-87.84
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300005292287	1	38	-2.0	-92.93	354.08	5.07	-87.86
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=N[N-]N=N1	REAL300005292288	0	38	-2.0	-110.98	361.15	5.92	-105.06
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=NN=N[N-]1	REAL300005292288	1	38	-2.0	-110.93	361.20	5.94	-104.99
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=N[N-]N=N1	REAL300005292289	0	40	-2.0	-103.89	359.58	4.11	-99.78
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=NN=N[N-]1	REAL300005292289	1	40	-2.0	-103.87	359.64	4.12	-99.75
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=N[N-]N=N1	REAL300005292290	0	37	-2.0	-94.28	336.63	2.13	-92.15
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=NN=N[N-]1	REAL300005292290	1	37	-2.0	-94.29	336.68	2.14	-92.15
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300005292291	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300005292291	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300005292292	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300005292292	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300005292293	0	35	-2.0	-97.23	332.09	2.08	-95.15
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300005292293	1	35	-2.0	-97.21	332.04	2.07	-95.14
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=N[N-]N=N1	REAL300005292294	0	36	-2.0	-95.82	351.14	3.67	-92.15
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=NN=N[N-]1	REAL300005292294	1	36	-2.0	-95.80	351.20	3.69	-92.11
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=N[N-]N=N1	REAL300005292295	0	36	-2.0	-91.33	351.33	3.81	-87.52
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=NN=N[N-]1	REAL300005292295	1	36	-2.0	-91.33	351.39	3.82	-87.51
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=N[N-]N=N1	REAL300005292296	0	36	-2.0	-94.19	342.50	2.81	-91.38
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=NN=N[N-]1	REAL300005292296	1	36	-2.0	-94.26	342.56	2.83	-91.43
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300005292297	0	38	-2.0	-101.36	336.13	5.20	-96.16
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300005292297	1	38	-2.0	-101.36	336.19	5.22	-96.14
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300005292298	0	38	-2.0	-97.60	356.27	4.07	-93.53
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300005292298	1	38	-2.0	-97.60	356.33	4.08	-93.52
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300005292299	0	36	-2.0	-110.13	327.85	3.94	-106.19
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300005292299	1	36	-2.0	-110.15	327.91	3.96	-106.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300005292300	0	32	-2.0	-100.49	319.19	3.67	-96.82
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300005292300	1	32	-2.0	-100.51	319.25	3.68	-96.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300005292301	0	40	-2.0	-109.65	344.32	2.82	-106.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300005292301	1	40	-2.0	-109.60	344.38	2.86	-106.74
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=N[N-]N=N1	REAL300005292302	0	41	-2.0	-95.85	361.98	6.72	-89.13
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=NN=N[N-]1	REAL300005292302	1	41	-2.0	-95.85	362.04	6.74	-89.11
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300005292303	0	41	-2.0	-112.84	354.64	5.59	-107.25
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300005292303	1	41	-2.0	-112.85	354.69	5.61	-107.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300005292304	0	41	-2.0	-106.03	367.36	5.79	-100.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300005292304	1	41	-2.0	-106.05	367.41	5.81	-100.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300005292305	0	35	-2.0	-111.71	342.19	4.47	-107.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300005292305	1	35	-2.0	-111.74	342.25	4.48	-107.26
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300005292306	0	38	-2.0	-106.57	355.19	5.35	-101.22
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300005292306	1	38	-2.0	-106.59	355.25	5.37	-101.22
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=N[N-]N=N1	REAL300005292307	0	38	-2.0	-104.19	332.65	4.19	-100.00
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=NN=N[N-]1	REAL300005292307	1	38	-2.0	-104.14	332.70	4.21	-99.93
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300005292308	0	42	-2.0	-93.82	374.98	6.18	-87.64
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300005292308	1	42	-2.0	-93.85	375.04	6.20	-87.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300005292309	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300005292309	1	45	-2.0	-94.83	369.60	5.56	-89.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)O1	REAL300005293645	1	44	-2.0	-85.58	351.37	2.41	-83.17
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)=CS1	REAL300005294111	1	51	-2.0	-95.13	399.51	7.07	-88.06
CC1=C(CC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005294294	1	53	-2.0	-135.44	407.63	7.85	-127.59
CC1CC(C)N(C(=O)C2=CC=C([O-])C(F)=C2)C(C)C1C(=O)[O-]	REAL300005295183	1	40	-2.0	-99.40	296.90	5.81	-93.59
CC1CC(C)N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C)C1C(=O)[O-]	REAL300005295193	1	43	-2.0	-107.65	334.61	8.42	-99.23
CC1CC(C)N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C)C1C(=O)[O-]	REAL300005295277	0	46	-2.0	-102.74	353.08	3.81	-98.93
CC1CC(C)N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C)C1C(=O)[O-]	REAL300005295302	1	45	-2.0	-92.73	335.05	5.51	-87.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)=N2)=C1	REAL300005295351	0	56	-2.0	-119.22	424.88	10.23	-108.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)=N2)C=C1	REAL300005295352	0	56	-2.0	-118.45	425.48	10.28	-108.17
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)=N1	REAL300005295418	0	50	-2.0	-112.99	388.51	8.67	-104.32
CC1CC(C)N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C)C1C(=O)[O-]	REAL300005295423	0	47	-2.0	-117.33	371.04	8.38	-108.95
CC1CC(C)N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C)C1C(=O)[O-]	REAL300005295452	1	45	-2.0	-110.25	334.38	9.35	-100.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)=N2)=C1	REAL300005295585	0	50	-2.0	-111.47	389.29	8.01	-103.46
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)=N1	REAL300005295586	0	53	-2.0	-122.65	402.32	9.36	-113.29
CC1=C(CC(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005295644	1	53	-2.0	-134.08	407.81	7.84	-126.24
CC1CC(C)N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C)C1C(=O)[O-]	REAL300005295699	0	40	-2.0	-89.28	317.58	6.72	-82.56
COC1=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)NC(=O)[N-]C1=O	REAL300005295710	1	43	-2.0	-100.33	320.80	0.80	-99.53
CC1CC(C)N(C(=O)CCCC2=N[N-]N=N2)C(C)C1C(=O)[O-]	REAL300005295784	0	43	-2.0	-101.71	328.26	6.36	-95.35
CC1CC(C)N(C(=O)CCCC2=NN=N[N-]2)C(C)C1C(=O)[O-]	REAL300005295784	1	43	-2.0	-101.69	328.32	6.37	-95.32
CC1CC(C)N(C(=O)C2=CC=C([O-])C(Cl)=C2)C(C)C1C(=O)[O-]	REAL300005295814	0	40	-2.0	-95.58	306.72	6.29	-89.29
CCOC1=CC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)=CC(Cl)=C1[O-]	REAL300005295818	1	47	-2.0	-93.95	362.42	7.70	-86.25
COC1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CC(C)C(C(=O)[O-])C3C)=N2)C=C1	REAL300005295824	0	51	-2.0	-115.64	392.49	7.22	-108.42
C[N-]S(=O)(=O)C1=CC(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)=CO1	REAL300005295839	1	44	-2.0	-92.02	339.50	1.73	-90.29
CC1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1C(=O)[O-]	REAL300005295973	0	43	-2.0	-94.54	342.72	4.79	-89.75
CC1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1C(=O)[O-]	REAL300005295973	1	43	-2.0	-94.58	342.79	4.79	-89.79
COCC1=NC=C(C(=O)N2C(C)CC(C)C(C(=O)[O-])C2C)C(=O)[N-]1	REAL300005296229	1	45	-2.0	-92.46	336.91	3.16	-89.30
CC1CC(C)N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C)C1C(=O)[O-]	REAL300005296271	1	48	-2.0	-108.81	347.99	6.24	-102.57
CC1CC(C)N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)C1C(=O)[O-]	REAL300005296509	0	40	-2.0	-97.71	329.67	7.05	-90.66
CC1=C(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005297935	1	52	-2.0	-126.76	410.21	8.11	-118.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005298295	0	42	-2.0	-132.29	350.85	5.40	-126.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005298608	0	42	-2.0	-132.88	350.73	5.67	-127.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=C1	REAL300005298657	1	44	-2.0	-119.12	374.43	11.04	-108.08
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)O1	REAL300005299107	1	45	-2.0	-104.63	373.17	4.47	-100.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)O1	REAL300005299108	1	36	-2.0	-103.76	319.55	1.93	-101.83
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=C1	REAL300005299341	0	46	-2.0	-123.21	386.73	3.61	-119.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005299386	0	39	-2.0	-130.56	329.26	4.77	-125.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=CS1	REAL300005299761	1	43	-2.0	-119.84	365.05	6.32	-113.52
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005299995	0	39	-2.0	-113.11	336.43	4.79	-108.32
CC1=C(CC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005300001	1	45	-2.0	-123.87	374.96	6.50	-117.37
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005300006	0	45	-2.0	-133.69	372.23	6.45	-127.24
CC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005300076	1	45	-2.0	-139.81	363.34	6.16	-133.65
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])C2	REAL300005300805	0	45	-2.0	-138.20	375.60	6.98	-131.22
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005300997	1	35	-2.0	-136.12	304.22	7.78	-128.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C=N1	REAL300005301095	0	38	-2.0	-113.32	328.17	3.84	-109.48
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005301125	1	37	-2.0	-137.38	315.62	5.35	-132.03
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=N2)=C1	REAL300005301180	0	48	-2.0	-144.45	387.73	9.47	-134.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=N2)C=C1	REAL300005301181	0	48	-2.0	-143.17	387.72	9.48	-133.69
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=N1	REAL300005301255	0	42	-2.0	-140.07	353.96	8.49	-131.58
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005301259	0	39	-2.0	-140.86	333.94	7.62	-133.24
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005301283	1	37	-2.0	-144.20	306.82	8.72	-135.48
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005301302	0	39	-2.0	-97.41	349.45	5.11	-92.30
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=C(I)C([O-])=C1	REAL300005301351	0	31	-2.0	-105.46	288.67	4.85	-100.61
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=N2)=C1	REAL300005301413	0	42	-2.0	-148.53	352.28	8.20	-140.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=N1	REAL300005301414	0	45	-2.0	-147.55	367.80	9.22	-138.33
CC1=C(CC(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005301471	1	45	-2.0	-121.56	375.15	6.50	-115.06
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005301511	0	32	-2.0	-104.49	289.66	6.32	-98.17
COC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)NC(=O)[N-]C1=O	REAL300005301519	1	35	-2.0	-107.20	294.52	1.55	-105.65
CCOC1=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300005301623	1	39	-2.0	-110.06	334.64	7.29	-102.77
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005301627	0	42	-2.0	-146.96	348.66	8.53	-138.43
COC1=CC=C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@H]3[C@H](C(=O)[O-])C4)=N2)C=C1	REAL300005301635	0	43	-2.0	-142.77	357.01	6.84	-135.93
C[N-]S(=O)(=O)C1=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)=CO1	REAL300005301656	1	36	-2.0	-102.62	316.67	1.59	-101.03
CC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C2=C([N-]C=NC2=O)O1	REAL300005301738	0	36	-2.0	-140.38	311.97	3.37	-137.01
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005301782	0	35	-2.0	-98.04	302.10	5.18	-92.86
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005301782	1	35	-2.0	-98.06	302.17	5.19	-92.87
COCC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]1	REAL300005302048	1	37	-2.0	-117.38	317.75	2.93	-114.45
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005302085	1	40	-2.0	-126.11	325.23	5.76	-120.35
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005302341	0	32	-2.0	-131.10	299.46	8.09	-123.01
CC1=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005302598	0	40	-2.0	-142.87	343.48	5.39	-137.48
CC1=C(CCC(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005303362	1	47	-2.0	-106.29	391.05	5.23	-101.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=C1	REAL300005303707	1	37	-2.0	-112.70	333.21	3.04	-109.66
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=CC(C(=O)[O-])=C1	REAL300005304010	1	37	-2.0	-114.16	333.28	3.27	-110.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300005304060	1	39	-2.0	-125.43	355.46	8.19	-117.24
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)=C1	REAL300005304237	1	41	-2.0	-109.46	372.36	5.25	-104.21
O=C([O-])C1=CN=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300005304238	1	41	-2.0	-111.97	372.79	5.24	-106.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)O1	REAL300005304503	1	40	-2.0	-91.12	359.71	1.48	-89.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)O1	REAL300005304504	1	31	-2.0	-90.48	304.26	-0.93	-91.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=C1	REAL300005304735	0	41	-2.0	-116.34	367.46	1.30	-115.04
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=CC(C(=O)[O-])=C1	REAL300005304781	0	34	-2.0	-112.51	311.82	2.37	-110.14
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CN=CC(C(=O)[O-])=C2)=CS1	REAL300005305148	1	38	-2.0	-118.87	345.98	3.48	-115.39
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CN=CC(C(=O)[O-])=C1	REAL300005305371	0	34	-2.0	-104.91	318.48	2.43	-102.48
CC1=C(CC(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005305378	1	40	-2.0	-122.82	356.86	3.67	-119.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=CC(C(=O)[O-])=C1	REAL300005305383	1	40	-2.0	-114.76	354.78	4.05	-110.71
CC1=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005305445	1	40	-2.0	-96.17	336.24	3.85	-92.32
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)=C1	REAL300005305539	1	41	-2.0	-101.37	372.53	5.25	-96.12
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CN=CC(C(=O)[O-])=C1	REAL300005306129	0	40	-2.0	-118.84	357.95	4.62	-114.22
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300005306306	1	30	-2.0	-116.16	287.96	5.73	-110.43
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)C=N1	REAL300005306405	0	33	-2.0	-99.20	312.86	1.40	-97.80
O=C([O-])C1=CN=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300005306435	1	32	-2.0	-95.33	291.10	2.79	-92.54
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)=C1	REAL300005306473	0	40	-2.0	-98.00	367.59	3.48	-94.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CN=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300005306488	0	43	-2.0	-123.60	372.39	6.42	-117.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=N1	REAL300005306560	0	37	-2.0	-121.33	340.11	5.53	-115.80
O=C([O-])C1=CN=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300005306585	0	32	-2.0	-124.81	292.01	5.37	-119.44
O=C([O-])C1=CN=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300005306604	0	34	-2.0	-97.52	334.33	2.67	-94.85
O=C([O-])C1=CN=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300005306646	0	26	-2.0	-99.59	273.58	2.39	-97.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CN=CC(C(=O)[O-])=C3)=N2)=C1	REAL300005306702	0	37	-2.0	-128.93	337.18	5.16	-123.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=N1	REAL300005306703	0	40	-2.0	-126.77	353.59	6.24	-120.53
CC1=C(CC(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005306757	1	40	-2.0	-123.15	356.35	3.62	-119.53
O=C([O-])C1=CN=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300005306793	0	27	-2.0	-95.67	273.88	3.83	-91.84
CCOC1=CC(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300005306888	1	34	-2.0	-99.24	318.72	4.81	-94.43
O=C([O-])C1=CN=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300005306892	0	37	-2.0	-126.85	342.33	5.93	-120.92
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CN=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300005306898	0	38	-2.0	-123.50	341.67	3.80	-119.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CN=CC(C(=O)[O-])=C2)=CO1	REAL300005306918	1	31	-2.0	-106.22	303.41	-0.95	-107.17
O=C([O-])C1=CN=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300005306985	0	35	-2.0	-108.05	315.31	7.73	-100.32
O=C([O-])C1=CN=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300005306985	1	35	-2.0	-107.91	315.37	7.74	-100.17
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300005307039	0	30	-2.0	-88.42	287.22	1.95	-86.47
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300005307039	1	30	-2.0	-88.64	287.39	1.93	-86.71
COCC1=NC=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300005307290	1	32	-2.0	-95.08	292.94	0.44	-94.64
O=C([O-])C1=CN=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300005307323	1	35	-2.0	-95.24	306.85	3.34	-91.90
O=C([O-])C1=CN=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300005307563	0	27	-2.0	-111.15	282.04	5.77	-105.38
CC1=C(C(=O)NC2=CN=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005307807	0	35	-2.0	-94.37	316.68	2.87	-91.50
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=N1	REAL300005317104	1	36	-2.0	-99.56	323.15	4.02	-95.54
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300005317176	0	36	-2.0	-94.50	322.52	2.52	-91.98
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300005317176	1	36	-2.0	-94.51	322.46	2.50	-92.01
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=N1	REAL300005317259	1	41	-2.0	-104.27	364.31	3.55	-100.72
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=N1	REAL300005317280	1	35	-2.0	-98.70	312.98	2.08	-96.62
O=C([O-])C1=CSC(N2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=N1	REAL300005317400	1	41	-2.0	-111.51	358.64	6.53	-104.98
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=N1	REAL300005317655	0	36	-2.0	-96.68	341.17	4.63	-92.05
COC1=C(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)NC(=O)[N-]C1=O	REAL300005317674	1	39	-2.0	-94.19	353.37	-1.43	-95.62
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300005317761	0	39	-2.0	-98.92	343.98	3.29	-95.63
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300005317761	1	39	-2.0	-98.89	343.92	3.27	-95.62
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=N1	REAL300005317792	0	36	-2.0	-95.86	332.95	4.51	-91.35
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300005317941	0	39	-2.0	-92.64	351.68	3.55	-89.09
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300005317941	1	39	-2.0	-92.68	351.61	3.54	-89.14
O=C([O-])C1=CSC(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=N1	REAL300005318151	0	34	-2.0	-93.73	312.10	2.54	-91.19
COCC1=NC=C(C(=O)N2CCN(C3=NC(C(=O)[O-])=CS3)CC2)C(=O)[N-]1	REAL300005318179	1	41	-2.0	-102.47	366.12	1.12	-101.35
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)=N1	REAL300005318218	1	44	-2.0	-103.84	380.16	4.10	-99.74
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CC(COCC2=CC=CC=C2)C1	REAL300005320693	1	45	-2.0	-110.77	385.53	7.92	-102.85
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC(COCC2=CC=CC=C2)C1	REAL300005320735	0	45	-2.0	-105.04	384.71	6.07	-98.97
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC(COCC2=CC=CC=C2)C1	REAL300005320735	1	45	-2.0	-104.97	384.77	6.08	-98.89
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC(COCC2=CC=CC=C2)C1	REAL300005320789	1	50	-2.0	-115.79	420.64	7.49	-108.30
O=C([O-])C1(NC(=O)C2=CN=CC([O-])=C2)CC(COCC2=CC=CC=C2)C1	REAL300005320801	1	44	-2.0	-115.37	376.00	6.16	-109.21
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC(COCC2=CC=CC=C2)C1	REAL300005321063	0	48	-2.0	-119.43	404.49	6.75	-112.68
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC(COCC2=CC=CC=C2)C1	REAL300005321063	1	48	-2.0	-119.48	404.55	6.76	-112.72
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC(COCC2=CC=CC=C2)C1	REAL300005321081	0	45	-2.0	-108.33	397.05	8.50	-99.83
O=C([O-])C1(NC(=O)C2=C[N-]N=CC2=O)CC(COCC2=CC=CC=C2)C1	REAL300005321280	0	43	-2.0	-108.15	366.68	6.46	-101.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2CCOC2)=C1	REAL300005323802	0	45	-2.0	-102.19	373.94	2.83	-99.36
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005324111	0	45	-2.0	-102.80	374.01	3.05	-99.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C(=O)[O-])C2CCOC2)C=C1	REAL300005324158	1	47	-2.0	-99.55	395.11	8.08	-91.47
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005324594	1	48	-2.0	-95.99	400.44	1.27	-94.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)O1	REAL300005324595	1	39	-2.0	-94.79	344.99	-1.15	-95.94
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005324868	0	42	-2.0	-102.27	357.69	2.07	-100.20
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2CCOC2)=CS1	REAL300005325219	1	46	-2.0	-98.17	390.93	3.10	-95.07
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005325457	0	42	-2.0	-96.03	358.97	2.23	-93.80
CC1=C(CC(=O)NCC(C(=O)[O-])C2CCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005325460	1	48	-2.0	-110.76	395.42	3.52	-107.24
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOC1	REAL300005325463	0	48	-2.0	-104.19	400.66	3.76	-100.43
CC1=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005325544	1	48	-2.0	-109.90	375.67	3.59	-106.31
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOC1	REAL300005326577	1	38	-2.0	-102.28	333.84	5.55	-96.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C=N1	REAL300005326685	0	41	-2.0	-98.70	353.60	1.17	-97.53
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOC1	REAL300005326719	1	40	-2.0	-109.10	336.55	2.50	-106.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOC3)=N2)=C1	REAL300005326778	0	51	-2.0	-121.22	418.34	6.15	-115.07
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOC3)=N2)C=C1	REAL300005326779	0	51	-2.0	-118.67	418.27	6.15	-112.52
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCOC2)=N1	REAL300005326870	0	45	-2.0	-112.33	373.44	5.36	-106.97
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOC1	REAL300005326875	0	42	-2.0	-114.16	359.34	4.38	-109.78
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOC1	REAL300005326907	1	40	-2.0	-119.12	336.70	5.10	-114.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOC3)=N2)=C1	REAL300005327066	0	45	-2.0	-122.40	381.89	4.81	-117.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCOC2)=N1	REAL300005327067	0	48	-2.0	-120.44	392.37	6.10	-114.34
CC1=C(CC(=O)NCC(C(=O)[O-])C2CCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005327138	1	48	-2.0	-109.50	395.60	3.51	-105.99
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOC1	REAL300005327190	0	35	-2.0	-89.67	314.38	3.63	-86.04
COC1=C(C(=O)NCC(C(=O)[O-])C2CCOC2)NC(=O)[N-]C1=O	REAL300005327203	1	38	-2.0	-93.50	325.47	-1.37	-94.87
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOC1	REAL300005327332	0	35	-2.0	-92.13	312.36	3.42	-88.71
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2CCOC2)=CC(Cl)=C1[O-]	REAL300005327335	1	42	-2.0	-94.89	359.22	4.61	-90.28
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOC3)=N2)C=C1	REAL300005327347	0	46	-2.0	-118.51	387.56	3.53	-114.98
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2CCOC2)=CO1	REAL300005327370	1	39	-2.0	-92.07	349.27	-1.26	-93.33
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O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL300005327526	1	38	-2.0	-88.47	332.17	1.58	-86.89
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C(=O)[N-]1	REAL300005327843	1	40	-2.0	-105.42	333.26	0.24	-105.18
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOC1	REAL300005327887	1	43	-2.0	-109.31	352.31	3.05	-106.26
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOC1	REAL300005328189	0	35	-2.0	-99.80	327.90	5.59	-94.21
CC1=C(C(=O)NCC(C(=O)[O-])C2CCOC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005328488	0	43	-2.0	-112.55	355.90	2.68	-109.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])O1	REAL300005331732	1	43	-2.0	-119.95	372.38	4.37	-115.58
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300005332995	1	39	-2.0	-108.22	326.11	8.42	-99.80
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005333007	1	42	-2.0	-113.81	360.08	9.74	-104.07
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300005333049	0	39	-2.0	-102.46	326.26	6.91	-95.55
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300005333049	1	39	-2.0	-102.47	326.32	6.92	-95.55
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005333122	1	44	-2.0	-119.81	367.93	7.86	-111.95
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CN=CC([O-])=C1	REAL300005333145	1	38	-2.0	-123.33	314.72	6.55	-116.78
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005333248	1	44	-2.0	-135.45	359.88	11.27	-124.18
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005333475	0	39	-2.0	-107.99	343.00	8.99	-99.00
COC1=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005333488	1	42	-2.0	-111.03	356.97	2.87	-108.16
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300005333558	0	42	-2.0	-100.03	347.74	7.66	-92.37
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300005333558	1	42	-2.0	-99.99	347.80	7.67	-92.32
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005333586	0	39	-2.0	-106.85	335.91	8.91	-97.94
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=CO1	REAL300005333607	1	43	-2.0	-117.50	368.93	4.22	-113.28
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005333726	0	42	-2.0	-102.42	355.36	7.80	-94.62
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005333726	1	42	-2.0	-102.42	355.42	7.81	-94.61
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300005333923	0	37	-2.0	-110.62	316.11	6.85	-103.77
COCC1=NC=C(C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C(=O)[N-]1	REAL300005333945	1	44	-2.0	-118.93	369.78	5.51	-113.42
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005333981	1	47	-2.0	-134.96	383.67	8.30	-126.66
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005334190	0	39	-2.0	-112.61	354.16	9.78	-102.83
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300005335520	0	36	-2.0	-95.46	331.38	5.15	-90.31
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300005335520	1	36	-2.0	-95.41	331.44	5.17	-90.24
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)C3=CN=CC([O-])=C3)CC2=C1	REAL300005335542	1	35	-2.0	-101.64	323.81	4.92	-96.72
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)C3=C[N-]N=CC3=O)CC2=C1	REAL300005335663	0	34	-2.0	-99.44	320.70	5.19	-94.25
CC1=C(CCC(=O)NCCC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005337205	1	50	-2.0	-98.12	401.52	5.53	-92.59
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(C)C(=O)[O-])=C1	REAL300005337524	0	40	-2.0	-97.60	343.68	3.35	-94.25
CC(CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300005337775	1	44	-2.0	-94.51	388.58	5.57	-88.94
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(C)C(=O)[O-]	REAL300005337816	0	40	-2.0	-98.44	342.88	3.55	-94.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC(C)C(=O)[O-])C=C1	REAL300005337854	1	42	-2.0	-103.90	365.74	8.48	-95.42
CC(CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300005337904	1	44	-2.0	-90.78	390.05	5.64	-85.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C1	REAL300005337906	1	47	-2.0	-92.86	402.91	6.32	-86.54
CC(CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005338021	1	44	-2.0	-97.27	383.66	5.57	-91.70
CC(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005338022	1	44	-2.0	-99.28	383.01	5.54	-93.74
CC1=CC(C(=O)NCCC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005338034	0	40	-2.0	-82.00	364.27	3.73	-78.27
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(C)C(=O)[O-])C=C2)C=C1	REAL300005338160	1	47	-2.0	-94.01	405.22	6.24	-87.77
CC(CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005338244	0	41	-2.0	-96.38	375.58	4.57	-91.81
CC(CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005338261	1	43	-2.0	-90.67	368.35	1.90	-88.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(C)C(=O)[O-])O1	REAL300005338262	1	34	-2.0	-90.74	315.55	-0.61	-91.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(C)C(=O)[O-])=C2)C=C1	REAL300005338374	1	47	-2.0	-101.04	404.43	6.21	-94.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(C)C(=O)[O-])=C2)=C1	REAL300005338413	1	47	-2.0	-101.43	403.56	6.20	-95.23
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(C)C(=O)[O-])=C1	REAL300005338485	0	44	-2.0	-104.19	378.36	1.56	-102.63
CC(CCNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005338533	0	37	-2.0	-97.02	321.41	2.64	-94.38
CC(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005338541	0	41	-2.0	-97.51	374.08	4.54	-92.97
CC(CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005338542	0	44	-2.0	-103.59	399.60	5.24	-98.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC(C)C(=O)[O-])=CS1	REAL300005338856	1	41	-2.0	-97.91	357.30	3.79	-94.12
CC(CCNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005339030	0	37	-2.0	-91.76	328.70	2.73	-89.03
CC1=C(CC(=O)NCCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005339039	1	43	-2.0	-102.87	367.33	3.97	-98.90
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(C)C(=O)[O-]	REAL300005339044	0	43	-2.0	-98.99	365.25	4.35	-94.64
CC1=C(C(=O)NCCC(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005339095	1	43	-2.0	-96.35	345.50	4.14	-92.21
CC(CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005339202	1	44	-2.0	-93.33	383.81	5.57	-87.76
CC(CCNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005339626	0	43	-2.0	-101.87	368.17	4.92	-96.95
CC(CCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300005339709	0	30	-2.0	-84.08	302.67	4.87	-79.21
CC(CCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005339763	1	33	-2.0	-97.89	299.25	6.16	-91.73
CC(CCNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005339839	0	36	-2.0	-94.53	324.15	1.71	-92.82
CC(CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005339893	1	43	-2.0	-89.74	378.86	3.79	-85.95
CC(C)C1=CC(N2C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N2)=CC=C1	REAL300005339908	0	46	-2.0	-110.52	382.06	6.73	-103.79
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N2)C=C1	REAL300005339909	0	46	-2.0	-109.35	382.87	6.74	-102.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N1	REAL300005339963	0	40	-2.0	-106.18	350.40	5.84	-100.34
CC(CCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005339966	0	37	-2.0	-106.76	328.21	4.87	-101.89
CC(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005339994	0	37	-2.0	-83.99	344.56	2.99	-81.00
CC(CCNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005340025	0	29	-2.0	-87.46	283.80	2.71	-84.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N2)=C1	REAL300005340063	0	40	-2.0	-113.13	346.55	5.45	-107.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N1	REAL300005340064	0	43	-2.0	-111.42	363.06	6.53	-104.89
CC1=C(CC(=O)NCCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005340088	1	43	-2.0	-101.91	367.42	3.94	-97.97
CCOC1=CC(C(=O)NCCC(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005340161	1	37	-2.0	-91.96	328.95	5.12	-86.84
CC(CCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005340165	0	40	-2.0	-114.46	352.57	6.26	-108.20
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC(C)C(=O)[O-])=N2)C=C1	REAL300005340171	0	41	-2.0	-109.19	351.28	4.10	-105.09
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC(C)C(=O)[O-])=CO1	REAL300005340186	1	34	-2.0	-92.24	313.87	-0.66	-92.90
CC(CCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005340648	0	30	-2.0	-94.11	292.50	6.18	-87.93
CC1=C(C(=O)NCCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005340825	0	38	-2.0	-99.40	325.73	3.22	-96.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])O1	REAL300005342247	1	44	-2.0	-104.07	374.64	3.12	-100.95
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300005343658	1	40	-2.0	-101.07	327.98	7.35	-93.72
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300005343670	1	43	-2.0	-113.48	360.58	9.66	-103.82
CC(C)(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300005343711	0	40	-2.0	-107.92	323.63	5.90	-102.02
CC(C)(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300005343711	1	40	-2.0	-107.94	323.69	5.92	-102.02
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=CC=C1	REAL300005343774	0	46	-2.0	-114.21	381.41	5.97	-108.24
CC(C)(C(=O)[O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300005343796	1	45	-2.0	-101.05	359.01	6.53	-94.52
CC(C)(C(=O)[O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1	REAL300005343828	1	39	-2.0	-103.36	324.28	5.44	-97.92
CC(C)(C(=O)[O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300005343910	0	47	-2.0	-121.33	387.08	8.25	-113.08
CC(C)(C(=O)[O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300005343942	1	45	-2.0	-154.39	360.31	9.50	-144.89
CC(C)(C(=O)[O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005344179	0	40	-2.0	-94.16	342.26	7.57	-86.59
COC1=C(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005344192	1	43	-2.0	-94.39	348.08	2.49	-91.90
CC(C)(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300005344268	0	43	-2.0	-105.14	345.08	5.82	-99.32
CC(C)(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300005344268	1	43	-2.0	-105.15	345.14	5.84	-99.31
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300005344299	0	40	-2.0	-94.34	334.70	7.38	-86.96
CCOC1=CC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005344303	1	47	-2.0	-97.56	386.94	8.52	-89.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=CO1	REAL300005344324	1	44	-2.0	-101.28	371.95	2.74	-98.54
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300005344460	0	43	-2.0	-86.63	354.12	5.57	-81.06
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300005344460	1	43	-2.0	-86.60	354.19	5.59	-81.01
CC(C)(C(=O)[O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1	REAL300005344681	0	38	-2.0	-93.18	310.38	5.76	-87.42
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CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005363211	1	47	-2.0	-106.50	393.81	6.48	-100.02
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005363212	1	47	-2.0	-108.38	393.98	6.47	-101.91
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CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005363406	0	44	-2.0	-104.54	385.00	5.79	-98.75
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005363424	1	46	-2.0	-99.52	380.46	2.73	-96.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C(C)C)O1	REAL300005363425	1	37	-2.0	-97.94	329.24	0.61	-97.33
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005363650	0	44	-2.0	-107.21	389.46	5.82	-101.39
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C(C)C)=CS1	REAL300005363902	1	44	-2.0	-109.64	370.99	5.00	-104.64
CC1=C(CC(=O)NC(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005364078	1	46	-2.0	-123.13	381.84	5.19	-117.94
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005364208	1	47	-2.0	-98.28	393.97	6.46	-91.82
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005364742	1	36	-2.0	-110.37	309.39	6.94	-103.43
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005364810	0	39	-2.0	-103.00	333.57	2.94	-100.06
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005364856	1	46	-2.0	-93.78	389.01	4.68	-89.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N2)=C1	REAL300005364870	0	49	-2.0	-128.37	393.89	7.65	-120.72
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300005364871	0	49	-2.0	-126.44	393.82	7.63	-118.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N1	REAL300005364917	0	43	-2.0	-121.98	360.64	7.05	-114.93
CC(C)C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005364921	0	40	-2.0	-123.11	340.04	5.78	-117.33
CC(C)C(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005364937	1	38	-2.0	-126.29	313.20	6.57	-119.72
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005364953	0	40	-2.0	-92.22	359.06	4.22	-88.00
CC(C)C(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005364985	0	32	-2.0	-96.79	298.31	3.95	-92.84
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N2)=C1	REAL300005365018	0	43	-2.0	-130.95	358.39	6.37	-124.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N1	REAL300005365019	0	46	-2.0	-129.54	374.90	7.44	-122.10
CC1=C(CC(=O)NC(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005365047	1	46	-2.0	-120.88	377.58	4.82	-116.06
CC(C)C(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005365074	0	33	-2.0	-95.02	295.07	5.08	-89.94
CCOC1=CC(C(=O)NC(CC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300005365134	1	40	-2.0	-100.53	339.91	6.05	-94.48
CC(C)C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005365137	0	43	-2.0	-133.51	367.47	7.39	-126.12
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300005365141	0	44	-2.0	-127.10	367.05	5.26	-121.84
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C(C)C)=CO1	REAL300005365151	1	37	-2.0	-97.49	324.63	0.66	-96.83
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005365246	0	36	-2.0	-89.78	308.40	3.56	-86.22
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005365246	1	36	-2.0	-89.76	308.48	3.58	-86.18
CC(C)C(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005365449	1	41	-2.0	-110.53	327.55	4.58	-105.95
CC(C)C(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005365612	0	33	-2.0	-107.01	303.49	6.98	-100.03
CC1=C(CCC(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005366733	1	51	-2.0	-107.84	401.81	7.20	-100.64
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300005367081	0	41	-2.0	-136.98	336.42	5.79	-131.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300005367391	0	41	-2.0	-138.24	336.50	6.03	-132.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300005367437	1	43	-2.0	-117.13	365.51	10.16	-106.97
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005367619	1	45	-2.0	-100.09	377.87	6.80	-93.29
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005367620	1	45	-2.0	-134.06	375.26	8.13	-125.93
CC1=CC(C(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005367633	0	41	-2.0	-105.90	356.68	6.28	-99.62
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005367865	0	42	-2.0	-98.49	369.81	5.80	-92.69
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2CC(=O)[O-])O1	REAL300005367883	1	44	-2.0	-90.75	367.53	3.50	-87.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2CC(=O)[O-])O1	REAL300005367884	1	35	-2.0	-89.37	311.21	1.07	-88.30
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300005368124	0	45	-2.0	-138.35	374.43	3.90	-134.45
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300005368170	0	38	-2.0	-136.00	315.03	5.12	-130.88
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005368178	0	42	-2.0	-131.86	367.18	7.15	-124.71
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@H]2CC(=O)[O-])=CS1	REAL300005368530	1	42	-2.0	-111.93	356.77	5.45	-106.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300005368738	0	38	-2.0	-126.86	321.44	5.19	-121.67
CC1=C(CC(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005368745	1	44	-2.0	-116.29	366.71	5.60	-110.69
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300005368750	0	44	-2.0	-139.20	358.00	6.82	-132.38
CC1=C(C(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005368812	1	44	-2.0	-140.04	350.79	6.70	-133.34
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005368911	1	45	-2.0	-96.43	377.99	6.81	-89.62
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300005369460	0	44	-2.0	-138.67	362.94	7.15	-131.52
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005369629	1	34	-2.0	-115.01	295.10	7.24	-107.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300005369716	0	37	-2.0	-98.08	319.18	2.89	-95.19
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005369777	1	44	-2.0	-92.87	373.03	5.04	-87.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005369792	0	47	-2.0	-125.61	380.93	8.60	-117.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005369793	0	47	-2.0	-124.21	380.89	8.60	-115.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2CC(=O)[O-])=N1	REAL300005369862	0	41	-2.0	-121.18	347.54	7.71	-113.47
O=C([O-])C[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005369866	0	38	-2.0	-122.39	327.12	6.75	-115.64
O=C([O-])C[C@@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005369887	1	36	-2.0	-126.18	299.86	7.84	-118.34
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005369905	0	38	-2.0	-117.19	336.79	5.58	-111.61
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005369943	0	30	-2.0	-95.88	279.18	3.89	-91.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005369992	0	41	-2.0	-129.22	345.45	7.33	-121.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2CC(=O)[O-])=N1	REAL300005369993	0	44	-2.0	-126.86	347.59	7.94	-118.92
CC1=C(CC(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005370034	1	44	-2.0	-114.81	367.80	5.64	-109.17
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005370066	0	31	-2.0	-94.03	281.31	5.44	-88.59
CCOC1=CC(C(=O)N2CCC[C@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005370150	1	38	-2.0	-118.49	321.18	7.73	-110.76
O=C([O-])C[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005370154	0	41	-2.0	-154.23	333.84	8.49	-145.74
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005370161	0	42	-2.0	-124.62	350.21	5.98	-118.64
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2CC(=O)[O-])=CO1	REAL300005370178	1	35	-2.0	-122.71	304.73	2.08	-120.63
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005370298	0	34	-2.0	-87.30	295.30	4.36	-82.94
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005370298	1	34	-2.0	-87.25	295.37	4.37	-82.88
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005370558	1	39	-2.0	-100.12	313.76	4.85	-95.27
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005370761	0	31	-2.0	-131.07	286.89	7.61	-123.46
CC1=C(C(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005370984	0	39	-2.0	-142.12	331.08	5.78	-136.34
CC1=C(CCC(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300005371391	0	51	-2.0	-105.90	401.71	7.22	-98.68
CC1=C(CCC(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005371391	1	51	-2.0	-105.90	401.71	7.22	-98.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300005371739	0	41	-2.0	-134.90	338.43	5.79	-129.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300005372049	0	41	-2.0	-109.88	340.68	4.71	-105.17
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300005372095	1	43	-2.0	-122.13	367.55	10.12	-112.01
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005372277	1	45	-2.0	-121.90	374.98	8.07	-113.83
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005372278	1	45	-2.0	-133.59	375.14	8.07	-125.52
CC1=CC(C(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005372291	0	41	-2.0	-85.92	359.59	4.97	-80.95
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005372523	0	42	-2.0	-120.18	367.00	7.09	-113.09
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])O1	REAL300005372541	1	44	-2.0	-90.25	365.27	3.63	-86.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])O1	REAL300005372542	1	35	-2.0	-89.40	311.65	1.08	-88.32
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300005372782	0	45	-2.0	-138.55	372.54	3.44	-135.11
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300005372828	0	38	-2.0	-133.78	317.01	5.11	-128.67
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005372836	0	42	-2.0	-131.75	367.09	7.07	-124.68
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H]2CC(=O)[O-])=CS1	REAL300005373188	1	42	-2.0	-113.20	356.70	5.49	-107.71
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300005373396	0	38	-2.0	-103.87	324.42	3.91	-99.96
CC1=C(CC(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005373403	1	44	-2.0	-118.93	366.64	5.66	-113.27
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300005373408	0	44	-2.0	-110.40	362.18	5.50	-104.90
CC1=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005373470	1	44	-2.0	-126.74	341.27	6.94	-119.80
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005373569	1	45	-2.0	-115.99	375.07	8.06	-107.93
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300005374118	0	44	-2.0	-139.64	363.23	7.37	-132.27
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005374287	1	34	-2.0	-115.54	296.88	7.27	-108.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300005374374	0	37	-2.0	-97.17	318.41	2.89	-94.28
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005374435	1	44	-2.0	-111.47	370.15	6.29	-105.18
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H]3CC(=O)[O-])=N2)=C1	REAL300005374450	0	47	-2.0	-125.53	379.87	8.64	-116.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3CC(=O)[O-])=N2)C=C1	REAL300005374451	0	47	-2.0	-124.72	379.81	8.64	-116.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2CC(=O)[O-])=N1	REAL300005374520	0	41	-2.0	-149.24	344.06	8.34	-140.90
O=C([O-])C[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005374524	0	38	-2.0	-123.35	326.02	6.79	-116.56
O=C([O-])C[C@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005374545	1	36	-2.0	-125.56	298.78	7.88	-117.68
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005374563	0	38	-2.0	-116.02	337.24	5.23	-110.79
O=C([O-])C[C@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005374601	0	30	-2.0	-96.58	279.23	3.88	-92.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3CC(=O)[O-])=N2)=C1	REAL300005374650	0	41	-2.0	-129.68	344.36	7.37	-122.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2CC(=O)[O-])=N1	REAL300005374651	0	44	-2.0	-157.38	351.40	9.00	-148.38
CC1=C(CC(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005374692	1	44	-2.0	-117.58	366.82	5.64	-111.94
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005374724	0	31	-2.0	-112.36	276.12	6.61	-105.75
CCOC1=CC(C(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005374808	1	38	-2.0	-118.49	321.10	7.66	-110.83
O=C([O-])C[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005374812	0	41	-2.0	-158.19	334.37	8.54	-149.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3CC(=O)[O-])=N2)C=C1	REAL300005374819	0	42	-2.0	-124.57	349.09	6.02	-118.55
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H]2CC(=O)[O-])=CO1	REAL300005374836	1	35	-2.0	-119.04	304.46	1.68	-117.36
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005374956	0	34	-2.0	-87.26	294.22	4.40	-82.86
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005374956	1	34	-2.0	-87.21	294.28	4.41	-82.80
O=C([O-])C[C@H]1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005375216	1	39	-2.0	-128.28	313.91	6.22	-122.06
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005375419	0	31	-2.0	-110.19	288.79	7.26	-102.93
CC1=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005375642	0	39	-2.0	-128.30	321.03	6.02	-122.28
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCC2	REAL300005378738	0	39	-2.0	-104.58	322.16	8.16	-96.42
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300005378979	0	45	-2.0	-101.55	366.75	5.34	-96.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005379294	0	45	-2.0	-101.77	366.60	5.61	-96.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300005379344	1	47	-2.0	-103.00	392.10	11.02	-91.98
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)O1	REAL300005379787	1	48	-2.0	-99.68	388.95	4.43	-95.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)O1	REAL300005379788	1	39	-2.0	-98.65	335.33	1.89	-96.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005380061	0	42	-2.0	-100.39	345.13	4.72	-95.67
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CS1	REAL300005380430	1	46	-2.0	-95.60	383.61	6.39	-89.21
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005380666	0	42	-2.0	-92.70	351.78	4.74	-87.96
CC1=C(CC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005380669	1	48	-2.0	-102.76	392.41	6.49	-96.27
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300005380672	0	48	-2.0	-102.33	388.10	6.40	-95.93
CC1=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005380752	1	48	-2.0	-105.39	382.19	6.17	-99.22
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCC2	REAL300005381783	1	38	-2.0	-101.14	321.26	8.00	-93.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=N1	REAL300005381891	0	41	-2.0	-92.86	346.29	3.78	-89.08
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCC2	REAL300005381924	1	40	-2.0	-103.91	330.58	5.23	-98.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)=C1	REAL300005381982	0	51	-2.0	-116.98	406.79	9.58	-107.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)C=C1	REAL300005381983	0	51	-2.0	-112.77	403.36	9.47	-103.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300005382073	0	45	-2.0	-108.17	371.01	8.57	-99.60
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCC2	REAL300005382078	0	42	-2.0	-109.58	352.83	7.73	-101.85
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCC2	REAL300005382109	1	40	-2.0	-116.62	324.68	8.81	-107.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)=C1	REAL300005382262	0	45	-2.0	-116.10	368.01	8.20	-107.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300005382263	0	48	-2.0	-115.91	386.52	9.31	-106.60
CC1=C(CC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005382334	1	48	-2.0	-101.20	392.59	6.49	-94.71
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCC2	REAL300005382384	0	35	-2.0	-86.61	307.15	6.30	-80.31
COC1=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)NC(=O)[N-]C1=O	REAL300005382395	1	38	-2.0	-93.70	315.71	1.83	-91.87
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCC2	REAL300005382520	0	35	-2.0	-91.27	300.51	6.25	-85.02
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC(Cl)=C1[O-]	REAL300005382523	1	42	-2.0	-91.33	352.02	7.27	-84.06
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)C=C1	REAL300005382535	0	46	-2.0	-112.73	372.65	6.85	-105.88
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CO1	REAL300005382558	1	39	-2.0	-92.42	336.27	1.66	-90.76
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300005382715	0	38	-2.0	-84.20	321.05	5.29	-78.91
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300005382715	1	38	-2.0	-84.23	321.12	5.33	-78.90
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(=O)[N-]1	REAL300005383034	1	40	-2.0	-97.24	327.54	2.72	-94.52
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCC2	REAL300005383078	1	43	-2.0	-103.59	346.44	5.78	-97.81
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300005383376	0	35	-2.0	-98.01	315.47	7.88	-90.13
CC1=C(C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005383676	0	43	-2.0	-108.45	362.49	5.25	-103.20
CC1=C(CCC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005384193	1	52	-2.0	-125.58	404.71	8.37	-117.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300005384747	1	44	-2.0	-128.45	369.27	11.33	-117.12
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])O1	REAL300005385105	1	45	-2.0	-102.91	370.12	4.73	-98.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])O1	REAL300005385106	1	36	-2.0	-101.69	315.34	2.29	-99.40
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=CS1	REAL300005385604	1	43	-2.0	-125.68	359.60	6.59	-119.09
CC1=C(CC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005385796	1	45	-2.0	-130.01	369.61	6.79	-123.22
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005386547	1	35	-2.0	-138.46	300.14	8.00	-130.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=N1	REAL300005386622	0	38	-2.0	-121.12	322.57	4.22	-116.90
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005386640	1	37	-2.0	-135.40	310.73	5.72	-129.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)=C1	REAL300005386689	0	48	-2.0	-147.37	382.86	9.85	-137.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)C=C1	REAL300005386690	0	48	-2.0	-146.62	382.79	9.84	-136.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300005386741	0	42	-2.0	-143.38	348.92	8.82	-134.56
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005386745	0	39	-2.0	-144.80	329.01	7.99	-136.81
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005386763	1	37	-2.0	-148.20	302.43	8.68	-139.52
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005386780	0	39	-2.0	-111.93	344.38	5.39	-106.54
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CN=C(I)C([O-])=C1	REAL300005386820	0	31	-2.0	-114.73	283.66	5.04	-109.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)=C1	REAL300005386867	0	42	-2.0	-152.15	347.94	8.53	-143.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300005386868	0	45	-2.0	-150.65	364.18	9.60	-141.05
CC1=C(CC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005386908	1	45	-2.0	-127.98	369.79	6.79	-121.19
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005386940	0	32	-2.0	-107.33	283.98	6.56	-100.77
COC1=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])NC(=O)[N-]C1=O	REAL300005386946	1	35	-2.0	-107.40	290.16	1.79	-105.61
CCOC1=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005387021	1	39	-2.0	-112.54	327.89	7.60	-104.94
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005387024	0	42	-2.0	-153.26	357.80	8.78	-144.48
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)C=C1	REAL300005387029	0	43	-2.0	-146.17	352.09	7.23	-138.94
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=CO1	REAL300005387040	1	36	-2.0	-103.37	312.22	1.83	-101.54
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005387141	0	35	-2.0	-98.15	297.39	5.57	-92.58
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005387141	1	35	-2.0	-98.12	297.46	5.58	-92.54
COCC1=NC=C(C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(=O)[N-]1	REAL300005387346	1	37	-2.0	-132.44	312.83	3.31	-129.13
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005387377	1	40	-2.0	-115.48	321.00	6.19	-109.29
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005387568	0	32	-2.0	-132.58	293.99	8.04	-124.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)O1	REAL300005389041	1	40	-2.0	-91.37	365.37	1.16	-90.21
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)N=C1	REAL300005390452	1	36	-2.0	-98.86	318.38	4.93	-93.93
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N=C1	REAL300005390464	1	39	-2.0	-107.69	341.84	7.32	-100.37
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)N=C1	REAL300005390505	0	36	-2.0	-94.43	319.16	3.40	-91.03
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)N=C1	REAL300005390505	1	36	-2.0	-94.42	319.21	3.42	-91.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C=N1	REAL300005390568	0	42	-2.0	-98.96	373.01	2.94	-96.02
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)N=C1	REAL300005390590	1	41	-2.0	-104.41	340.81	3.84	-100.57
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CN=CC([O-])=C2)N=C1	REAL300005390622	1	35	-2.0	-107.79	300.05	2.72	-105.07
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])N=C1	REAL300005390704	0	43	-2.0	-123.15	379.71	6.84	-116.31
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=C1	REAL300005390736	1	41	-2.0	-122.97	352.46	7.99	-114.98
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=C1	REAL300005390973	0	36	-2.0	-94.60	334.41	5.49	-89.11
COC1=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)NC(=O)[N-]C1=O	REAL300005390986	1	39	-2.0	-97.92	340.83	1.05	-96.87
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)N=C1	REAL300005391062	0	39	-2.0	-104.81	340.67	4.18	-100.63
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)N=C1	REAL300005391062	1	39	-2.0	-104.82	340.73	4.20	-100.62
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)N=C1	REAL300005391093	0	36	-2.0	-94.29	328.17	5.43	-88.86
CCOC1=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=CC(Cl)=C1[O-]	REAL300005391097	1	43	-2.0	-98.49	378.66	6.42	-92.07
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)=CO1	REAL300005391118	1	40	-2.0	-93.49	362.67	0.77	-92.72
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL300005391254	0	39	-2.0	-87.94	347.89	4.47	-83.47
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL300005391254	1	39	-2.0	-87.86	347.96	4.47	-83.39
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=C[N-]N=CC2=O)N=C1	REAL300005391475	0	34	-2.0	-94.33	309.02	3.51	-90.82
COCC1=NC=C(C(=O)N2CCCC2C2=NC=C(C(=O)[O-])C=N2)C(=O)[N-]1	REAL300005391498	1	41	-2.0	-103.28	363.05	2.09	-101.19
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CN=C(C3CCC3)[N-]C2=O)N=C1	REAL300005391540	1	44	-2.0	-104.11	376.96	4.99	-99.12
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N=C1	REAL300005391769	0	36	-2.0	-104.70	335.36	7.38	-97.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)O1	REAL300005395326	1	39	-2.0	-104.61	364.31	1.44	-103.17
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CNC2=CC=CC=C12	REAL300005396726	1	35	-2.0	-110.62	317.92	5.63	-104.99
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CNC2=CC=CC=C12	REAL300005396738	1	38	-2.0	-131.53	348.01	8.22	-123.31
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300005396777	0	35	-2.0	-106.99	315.13	3.75	-103.24
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300005396777	1	35	-2.0	-107.00	315.19	3.76	-103.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=N1	REAL300005396840	0	41	-2.0	-113.85	372.92	3.79	-110.06
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CNC2=CC=CC=C12	REAL300005396862	1	40	-2.0	-122.05	350.56	5.25	-116.80
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CNC2=CC=CC=C12	REAL300005396895	1	34	-2.0	-115.23	306.98	3.73	-111.50
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CNC2=CC=CC=C12	REAL300005396979	0	42	-2.0	-141.36	378.67	6.98	-134.38
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CNC2=CC=CC=C12	REAL300005397010	1	40	-2.0	-147.95	352.06	7.79	-140.16
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CNC2=CC=CC=C21	REAL300005397243	0	35	-2.0	-106.97	333.90	6.23	-100.74
COC1=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)NC(=O)[N-]C1=O	REAL300005397255	1	38	-2.0	-107.51	340.12	1.26	-106.25
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300005397332	0	38	-2.0	-116.61	336.63	4.53	-112.08
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300005397332	1	38	-2.0	-116.60	336.69	4.54	-112.06
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CNC2=CC=CC=C12	REAL300005397363	0	35	-2.0	-108.63	327.72	6.12	-102.51
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC(Cl)=C1[O-]	REAL300005397366	1	42	-2.0	-112.88	378.99	7.15	-105.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=CO1	REAL300005397387	1	39	-2.0	-114.11	363.69	1.36	-112.75
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CNC2=CC=CC=C12	REAL300005397524	0	38	-2.0	-100.51	347.67	4.24	-96.27
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CNC2=CC=CC=C12	REAL300005397524	1	38	-2.0	-100.48	347.73	4.25	-96.23
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CNC2=CC=CC=C12	REAL300005397747	0	33	-2.0	-111.77	298.99	4.17	-107.60
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C(=O)[N-]1	REAL300005397770	1	40	-2.0	-120.65	352.66	2.85	-117.80
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CNC2=CC=CC=C12	REAL300005397812	1	43	-2.0	-121.99	366.66	5.68	-116.31
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CNC2=CC=CC=C12	REAL300005398043	0	35	-2.0	-127.07	342.08	8.25	-118.82
CC1=C(CCC(=O)N[C@@H](CC(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005398749	1	53	-2.0	-102.19	412.27	6.85	-95.34
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300005399278	1	45	-2.0	-104.52	376.88	9.81	-94.71
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005399424	1	47	-2.0	-106.49	393.81	6.48	-100.01
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005399425	1	47	-2.0	-108.34	393.94	6.47	-101.87
CC1=CC(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005399436	0	43	-2.0	-90.14	375.23	4.66	-85.48
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005399619	0	44	-2.0	-104.27	385.53	5.90	-98.37
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005399637	1	46	-2.0	-99.22	379.31	2.82	-96.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)O1	REAL300005399638	1	37	-2.0	-97.67	325.52	0.68	-96.99
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005399863	0	44	-2.0	-106.60	385.88	5.47	-101.13
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)=CS1	REAL300005400115	1	44	-2.0	-108.15	367.25	5.10	-103.05
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005400291	1	46	-2.0	-122.17	377.39	4.83	-117.34
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005400421	1	47	-2.0	-97.80	393.97	6.46	-91.34
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005400955	1	36	-2.0	-110.41	309.40	6.93	-103.48
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005401023	0	39	-2.0	-103.57	337.84	2.94	-100.63
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005401069	1	46	-2.0	-93.79	389.01	4.68	-89.11
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N2)=C1	REAL300005401083	0	49	-2.0	-128.48	393.84	7.63	-120.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N2)C=C1	REAL300005401084	0	49	-2.0	-127.46	397.37	7.96	-119.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N1	REAL300005401130	0	43	-2.0	-122.66	359.50	7.04	-115.62
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005401134	0	40	-2.0	-126.69	343.59	6.12	-120.57
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005401150	1	38	-2.0	-126.27	313.20	6.57	-119.70
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005401166	0	40	-2.0	-91.57	355.49	3.90	-87.67
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005401198	0	32	-2.0	-96.37	294.76	3.62	-92.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N2)=C1	REAL300005401231	0	43	-2.0	-130.61	358.19	6.78	-123.83
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N1	REAL300005401232	0	46	-2.0	-129.33	371.46	7.85	-121.48
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005401260	1	46	-2.0	-120.89	377.57	4.82	-116.07
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005401287	0	33	-2.0	-95.07	295.06	5.07	-90.00
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300005401347	1	40	-2.0	-100.53	339.91	6.05	-94.48
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005401350	0	43	-2.0	-131.98	363.33	7.56	-124.42
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=N2)C=C1	REAL300005401354	0	44	-2.0	-126.09	363.11	5.02	-121.07
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C(C)C)=CO1	REAL300005401364	1	37	-2.0	-97.86	324.83	0.25	-97.61
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005401459	0	36	-2.0	-90.13	308.60	3.17	-86.96
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005401459	1	36	-2.0	-90.14	308.67	3.17	-86.97
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005401662	1	41	-2.0	-110.51	327.55	4.57	-105.94
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005401825	0	33	-2.0	-106.62	303.26	7.39	-99.23
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=C1	REAL300005403588	0	45	-2.0	-98.81	371.57	3.43	-95.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005403897	0	45	-2.0	-99.83	371.67	3.65	-96.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300005403944	1	47	-2.0	-106.72	393.99	8.56	-98.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005404380	1	48	-2.0	-92.77	396.24	1.99	-90.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)O1	REAL300005404381	1	39	-2.0	-92.65	342.62	-0.55	-93.20
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300005404654	0	42	-2.0	-98.42	350.18	2.75	-95.67
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCOC(C)(C(=O)[O-])C2)=CS1	REAL300005405005	1	46	-2.0	-99.19	384.34	3.86	-95.33
CC1(C(=O)[O-])CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300005405243	0	42	-2.0	-93.15	356.59	2.82	-90.33
CC1=C(CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005405246	1	48	-2.0	-105.70	395.22	4.05	-101.65
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC(C)(C(=O)[O-])C1	REAL300005405249	0	48	-2.0	-100.27	393.17	4.44	-95.83
CC1=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005405330	1	48	-2.0	-98.67	374.61	4.25	-94.42
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300005406363	1	38	-2.0	-98.44	326.31	6.21	-92.23
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CCO1	REAL300005406471	0	41	-2.0	-96.10	351.23	1.79	-94.31
CC1(C(=O)[O-])CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300005406505	1	40	-2.0	-97.10	329.12	3.20	-93.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300005406564	0	51	-2.0	-111.83	410.82	6.84	-104.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300005406565	0	51	-2.0	-110.40	410.76	6.82	-103.58
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=N1	REAL300005406656	0	45	-2.0	-107.14	378.29	5.94	-101.20
CC1(C(=O)[O-])CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300005406661	0	42	-2.0	-108.15	356.97	4.98	-103.17
CC1(C(=O)[O-])CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300005406693	1	40	-2.0	-109.78	330.13	5.84	-103.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300005406852	0	45	-2.0	-114.46	375.31	5.57	-108.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=N1	REAL300005406853	0	48	-2.0	-112.91	391.82	6.65	-106.26
CC1=C(CC(=O)NC2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005406924	1	48	-2.0	-111.96	383.66	4.89	-107.07
CC1(C(=O)[O-])CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300005406976	0	35	-2.0	-89.59	312.00	4.25	-85.34
COC1=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005406989	1	38	-2.0	-92.31	317.96	-0.71	-93.02
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCO1	REAL300005407118	0	35	-2.0	-99.54	296.35	5.12	-94.42
CCOC1=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005407121	1	42	-2.0	-93.87	356.84	5.23	-88.64
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300005407133	0	46	-2.0	-110.48	380.04	4.21	-106.27
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCOC(C)(C(=O)[O-])C2)=CO1	REAL300005407156	1	39	-2.0	-107.56	332.33	0.37	-107.19
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300005407312	0	38	-2.0	-86.38	325.53	2.34	-84.04
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300005407312	1	38	-2.0	-86.41	325.60	2.35	-84.06
COCC1=NC=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]1	REAL300005407629	1	40	-2.0	-102.13	320.99	1.79	-100.34
CC1(C(=O)[O-])CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300005407673	1	43	-2.0	-97.16	344.87	3.74	-93.42
CC1(C(=O)[O-])CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300005407975	0	35	-2.0	-111.77	310.91	7.19	-104.58
CC1=C(C(=O)NC2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005408274	0	43	-2.0	-106.80	344.59	4.24	-102.56
CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005410409	1	44	-2.0	-95.16	377.52	4.51	-90.65
CCN(C(=O)C1=CC=C([O-])C(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411820	1	40	-2.0	-95.35	324.60	8.56	-86.79
CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411832	1	43	-2.0	-105.90	359.14	10.21	-95.69
CCN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411873	0	40	-2.0	-93.98	330.89	6.62	-87.36
CCN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411873	1	40	-2.0	-93.93	330.94	6.64	-87.29
CCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411936	0	46	-2.0	-101.17	384.69	6.60	-94.57
CCN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411958	1	45	-2.0	-108.27	372.83	7.59	-100.68
CCN(C(=O)C1=CN=CC([O-])=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005411990	1	39	-2.0	-100.50	311.39	6.11	-94.39
CCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412072	0	47	-2.0	-119.69	392.65	10.69	-109.00
CCN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412104	1	45	-2.0	-126.26	360.25	12.14	-114.12
CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412341	0	40	-2.0	-91.74	346.03	9.19	-82.55
CCN(C(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412354	1	43	-2.0	-97.22	360.09	3.05	-94.17
CCN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412430	0	43	-2.0	-100.63	352.38	7.40	-93.23
CCN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412430	1	43	-2.0	-100.65	352.44	7.42	-93.23
CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412461	0	40	-2.0	-93.65	334.48	8.94	-84.71
CCOC1=CC(C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005412465	1	47	-2.0	-96.44	393.41	10.08	-86.36
CCN(C(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412486	1	44	-2.0	-98.57	372.72	4.02	-94.55
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412622	0	43	-2.0	-87.99	356.48	8.54	-79.45
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412622	1	43	-2.0	-88.01	356.55	8.54	-79.47
CCN(C(=O)C1=C[N-]N=CC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412843	0	38	-2.0	-101.13	311.63	6.85	-94.28
CCN(C(=O)C1=CN=C(COC)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412866	1	45	-2.0	-110.67	363.90	6.52	-104.15
CCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005412908	1	48	-2.0	-109.38	389.96	8.10	-101.28
CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300005413137	0	40	-2.0	-99.72	358.04	9.57	-90.15
CC1=C(CCC(=O)N2CC3CC2(C(=O)[O-])CO3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005414399	1	50	-2.0	-115.89	397.36	6.07	-109.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300005414949	1	42	-2.0	-127.77	362.41	8.92	-118.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)O1	REAL300005415310	1	43	-2.0	-98.48	362.57	2.36	-96.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)O1	REAL300005415311	1	34	-2.0	-97.12	307.12	-0.04	-97.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CC2(C(=O)[O-])CO3)=CS1	REAL300005415810	1	41	-2.0	-124.77	351.78	4.34	-120.43
CC1=C(CC(=O)N2CC3CC2(C(=O)[O-])CO3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005416002	1	43	-2.0	-133.75	362.27	4.47	-129.28
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300005416776	1	33	-2.0	-128.76	292.56	5.54	-123.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C=N1	REAL300005416852	0	36	-2.0	-116.27	312.45	1.81	-114.46
O=C([O-])C12COC(CN1C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300005416870	1	35	-2.0	-114.12	295.70	3.28	-110.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)=C1	REAL300005416918	0	46	-2.0	-141.88	375.51	7.48	-134.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)C=C1	REAL300005416919	0	46	-2.0	-141.01	375.44	7.48	-133.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300005416971	0	40	-2.0	-138.67	344.13	6.36	-132.31
O=C([O-])C12COC(CN1C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300005416976	0	37	-2.0	-139.47	321.66	5.63	-133.84
O=C([O-])C12COC(CN1C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300005416994	1	35	-2.0	-143.36	293.87	6.18	-137.18
O=C([O-])C12COC(CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C2	REAL300005417012	0	37	-2.0	-106.99	334.02	3.10	-103.89
O=C([O-])C12COC(CN1C(=O)C1=CN=C(I)C([O-])=C1)C2	REAL300005417052	0	29	-2.0	-99.35	275.06	2.49	-96.86
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)=C1	REAL300005417100	0	40	-2.0	-147.37	340.31	6.16	-141.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300005417101	0	43	-2.0	-145.35	357.58	6.95	-138.40
CC1=C(CC(=O)N2CC3CC2(C(=O)[O-])CO3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005417143	1	43	-2.0	-132.22	362.45	4.46	-127.76
O=C([O-])C12COC(CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300005417178	0	30	-2.0	-103.72	273.50	4.29	-99.43
COC1=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)NC(=O)[N-]C1=O	REAL300005417184	1	33	-2.0	-103.15	280.05	-0.69	-103.84
CCOC1=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=CC(Cl)=C1[O-]	REAL300005417262	1	37	-2.0	-107.79	318.34	5.26	-102.53
O=C([O-])C12COC(CN1C(=O)C1=NN(C3=CC=CC=C3C(F)(F)F)C=C1[O-])C2	REAL300005417265	0	40	-2.0	-147.00	347.97	6.79	-140.21
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)C=C1	REAL300005417270	0	41	-2.0	-140.72	344.72	4.86	-135.86
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CC2(C(=O)[O-])CO3)=CO1	REAL300005417281	1	34	-2.0	-111.65	303.56	-0.36	-112.01
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300005417387	0	33	-2.0	-94.67	289.92	3.12	-91.55
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300005417387	1	33	-2.0	-94.66	289.99	3.12	-91.54
COCC1=NC=C(C(=O)N2CC3CC2(C(=O)[O-])CO3)C(=O)[N-]1	REAL300005417598	1	35	-2.0	-113.33	297.56	0.93	-112.40
O=C([O-])C12COC(CN1C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300005417632	1	38	-2.0	-123.62	318.50	3.90	-119.72
O=C([O-])C12COC(CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300005417827	0	30	-2.0	-125.96	281.71	5.78	-120.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)O1	REAL300005419334	1	45	-2.0	-109.95	382.77	4.44	-105.51
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005419957	1	54	-2.0	-115.03	429.27	8.68	-106.35
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300005420857	1	41	-2.0	-116.66	338.97	8.43	-108.23
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005420871	1	44	-2.0	-105.60	376.84	9.67	-95.93
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300005420932	0	41	-2.0	-93.54	341.35	6.78	-86.76
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300005420932	1	41	-2.0	-93.53	341.40	6.79	-86.74
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005421026	1	46	-2.0	-112.93	382.84	7.75	-105.18
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300005421053	1	40	-2.0	-109.23	327.66	6.56	-102.67
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005421194	1	46	-2.0	-123.44	373.81	11.23	-112.21
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005421468	0	41	-2.0	-91.50	357.35	8.82	-82.68
COC1=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)NC(=O)[N-]C1=O	REAL300005421487	1	44	-2.0	-102.35	370.75	2.78	-99.57
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300005421578	0	44	-2.0	-106.82	355.12	7.54	-99.28
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300005421578	1	44	-2.0	-106.84	355.18	7.55	-99.29
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005421610	0	41	-2.0	-112.37	348.77	8.91	-103.46
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)=CO1	REAL300005421640	1	45	-2.0	-103.77	386.45	4.16	-99.61
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005421781	0	44	-2.0	-86.53	370.38	7.74	-78.79
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005421781	1	44	-2.0	-86.52	370.45	7.74	-78.78
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300005422026	0	39	-2.0	-99.90	329.74	6.77	-93.13
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C3=CC=CC=C3)C2)C(=O)[N-]1	REAL300005422058	1	46	-2.0	-117.81	380.09	5.49	-112.32
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005422099	1	49	-2.0	-113.27	398.59	8.30	-104.97
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005422373	0	41	-2.0	-135.14	365.23	9.69	-125.45
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=N1	REAL300005424440	1	39	-2.0	-94.61	341.40	4.71	-89.90
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300005424506	0	39	-2.0	-89.42	338.60	3.13	-86.29
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300005424506	1	39	-2.0	-89.40	338.66	3.15	-86.25
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=N1	REAL300005424573	1	44	-2.0	-100.10	380.44	4.18	-95.92
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=N1	REAL300005424588	1	38	-2.0	-88.91	330.08	2.84	-86.07
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=N1	REAL300005424682	1	44	-2.0	-105.80	372.28	7.63	-98.17
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=N1	REAL300005424880	0	39	-2.0	-90.61	355.29	5.20	-85.41
COC1=C(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)NC(=O)[N-]C1=O	REAL300005424898	1	42	-2.0	-92.87	369.28	-0.80	-93.67
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300005424965	0	42	-2.0	-96.85	360.06	3.90	-92.95
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300005424965	1	42	-2.0	-96.87	360.12	3.92	-92.95
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=N1	REAL300005424990	0	39	-2.0	-90.63	351.20	5.20	-85.43
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=N1	REAL300005425259	0	37	-2.0	-89.32	328.50	3.20	-86.12
COCC1=NC=C(C(=O)N2CCN(C3=NC(C)=C(C(=O)[O-])S3)CC2)C(=O)[N-]1	REAL300005425279	1	44	-2.0	-98.52	382.26	1.75	-96.77
O=C([O-])C1=CC(CC(=O)NC2=NC=C(CC3CCCO3)S2)=CC=C1	REAL300005425970	0	40	-2.0	-113.14	356.92	7.09	-106.05
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=CC=C1	REAL300005425970	1	40	-2.0	-113.14	356.92	7.09	-106.05
O=C([O-])C1=CC=C(CC(=O)NC2=NC=C(CC3CCCO3)S2)C=C1	REAL300005425979	0	40	-2.0	-105.56	356.92	7.11	-98.45
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C=C1	REAL300005425979	1	40	-2.0	-105.56	356.92	7.11	-98.45
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCCO3)S2)N=N1	REAL300005425980	0	36	-2.0	-109.65	334.07	3.10	-106.55
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005425980	1	36	-2.0	-109.65	334.07	3.10	-106.55
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4CCCO4)S3)(C1)C2	REAL300005425988	0	38	-2.0	-103.37	335.49	6.00	-97.37
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCCO4)S3)(C1)C2	REAL300005425988	1	38	-2.0	-103.37	335.49	6.00	-97.37
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCCO3)S2)CCC1	REAL300005425989	0	37	-2.0	-120.77	319.11	5.58	-115.19
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1	REAL300005425989	1	37	-2.0	-120.77	319.11	5.58	-115.19
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCCO4)S3)(CC1)C2	REAL300005425991	0	44	-2.0	-107.85	366.31	6.80	-101.05
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCCO4)S3)(CC1)C2	REAL300005425991	1	44	-2.0	-107.85	366.31	6.80	-101.05
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCCO4)S3)(CC1)CC2	REAL300005425992	0	47	-2.0	-99.82	377.81	7.32	-92.50
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCCO4)S3)(CC1)CC2	REAL300005425992	1	47	-2.0	-99.82	377.81	7.32	-92.50
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCCO3)S2)CCCC1	REAL300005425998	0	40	-2.0	-123.79	335.57	6.24	-117.55
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCC1	REAL300005425998	1	40	-2.0	-123.79	335.57	6.24	-117.55
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426001	1	37	-2.0	-108.17	338.97	4.58	-103.59
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2(CCC2)C1	REAL300005426003	1	44	-2.0	-125.39	364.07	7.14	-118.25
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426007	1	34	-2.0	-114.39	311.19	4.23	-110.16
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3CCCO3)S2)O[C@H]1C(=O)[O-]	REAL300005426009	1	41	-2.0	-114.53	354.70	5.91	-108.62
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426010	1	42	-2.0	-111.76	352.21	5.96	-105.80
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426015	1	40	-2.0	-121.28	365.02	2.11	-119.17
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426021	1	37	-2.0	-123.84	338.33	4.60	-119.24
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(CC3CCCO3)S2)O1	REAL300005426024	1	44	-2.0	-112.13	376.19	6.37	-105.76
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1C1=CC=CC=C1	REAL300005426032	1	44	-2.0	-125.37	378.50	8.31	-117.06
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C2=CC=CC=C12	REAL300005426034	1	44	-2.0	-116.85	390.27	8.55	-108.30
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC=CC1	REAL300005426049	1	38	-2.0	-124.68	329.40	5.94	-118.74
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426055	1	34	-2.0	-122.81	309.48	4.09	-118.72
C[C@]1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C[C@H]1C(=O)[O-]	REAL300005426056	1	37	-2.0	-131.86	328.23	5.49	-126.37
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCCO4)S3)(C1)OC2	REAL300005426063	1	39	-2.0	-103.81	342.60	3.95	-99.86
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426065	1	37	-2.0	-120.64	321.94	5.81	-114.83
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2(CCC2)C1	REAL300005426066	1	44	-2.0	-125.39	364.07	7.14	-118.25
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426073	1	38	-2.0	-124.30	334.55	6.00	-118.30
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426075	1	42	-2.0	-141.14	352.55	4.62	-136.52
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C[C@H]1C(=O)[O-]	REAL300005426077	1	43	-2.0	-137.37	361.92	6.48	-130.89
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426078	1	43	-2.0	-106.37	373.63	7.57	-98.80
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300005426079	1	37	-2.0	-109.26	348.47	6.24	-103.02
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C=C1F	REAL300005426080	1	40	-2.0	-106.20	361.47	7.13	-99.07
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCCO4)S3)(CC1)CC2	REAL300005426083	1	47	-2.0	-99.82	377.81	7.32	-92.50
C[C@@H]1CC2=C(SC([N-]C(=O)CCC3=CC=C(C(=O)[O-])C=C3)=N2)[C@H](C)O1	REAL300005426090	1	43	-2.0	-96.48	374.28	7.72	-88.76
C[C@@H]1CC2=C(SC([N-]C(=O)CCC3=CC=CC=C3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426097	1	43	-2.0	-122.91	365.44	7.45	-115.46
C[C@@H]1CC2=C(SC([N-]C(=O)CC3=CC=CC(C(=O)[O-])=C3)=N2)[C@H](C)O1	REAL300005426099	1	40	-2.0	-110.35	352.89	6.90	-103.45
C[C@@H]1CC2=C(SC([N-]C(=O)C3CCCC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426100	1	43	-2.0	-109.27	354.81	6.45	-102.82
C[C@@H]1CC2=C(SC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N2)[C@H](C)O1	REAL300005426103	1	42	-2.0	-99.57	337.38	5.66	-93.91
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300005426106	1	43	-2.0	-97.48	354.08	6.44	-91.04
C[C@@H]1CC2=C(SC([N-]C(=O)C3CCC(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300005426107	1	43	-2.0	-114.08	347.49	6.28	-107.80
C[C@@H]1CC2=C(SC([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3)=N2)[C@H](C)O1	REAL300005426108	1	40	-2.0	-102.25	352.95	6.91	-95.34
C[C@@H]1CC2=C(SC([N-]C(=O)CN3C=C(C(=O)[O-])N=N3)=N2)[C@H](C)O1	REAL300005426109	1	36	-2.0	-106.26	330.04	2.90	-103.36
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426112	1	40	-2.0	-107.45	335.98	5.77	-101.68
C[C@@H]1CC2=C(SC([N-]C(=O)C34CC(C(=O)[O-])(C3)C4)=N2)[C@H](C)O1	REAL300005426117	1	38	-2.0	-100.39	331.63	5.79	-94.60
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)[C@H](C)O1	REAL300005426118	1	37	-2.0	-117.79	315.10	5.40	-112.39
C[C@@H]1CC2=C(SC([N-]C(=O)CC3CCC(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300005426119	1	46	-2.0	-104.17	364.76	6.91	-97.26
C[C@@H]1CC2=C(SC([N-]C(=O)C34CCC(C(=O)[O-])(CC3)C4)=N2)[C@H](C)O1	REAL300005426120	1	44	-2.0	-104.18	362.07	6.60	-97.58
C[C@@H]1CC2=C(SC([N-]C(=O)C34CCC(C(=O)[O-])(CC3)CC4)=N2)[C@H](C)O1	REAL300005426121	1	47	-2.0	-96.84	373.82	7.13	-89.71
C[C@@H]1CC2=C(SC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N2)[C@H](C)O1	REAL300005426122	1	42	-2.0	-99.57	337.38	5.66	-93.91
CC(CC(=O)[O-])CC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426123	1	39	-2.0	-103.99	327.69	5.29	-98.70
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CCCC3)=N2)[C@H](C)O1	REAL300005426127	1	40	-2.0	-121.15	333.21	5.84	-115.31
C[C@@H]1CC2=C(SC([N-]C(=O)CN3C=C(C(=O)[O-])C=N3)=N2)[C@H](C)O1	REAL300005426130	1	37	-2.0	-104.81	334.96	4.38	-100.43
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)=N2)[C@H](C)O1	REAL300005426132	1	44	-2.0	-122.11	360.16	6.92	-115.19
C[C@@H]1CC2=C(SC([N-]C(=O)CCSCC(=O)[O-])=N2)[C@H](C)O1	REAL300005426134	1	37	-2.0	-95.61	338.05	5.42	-90.19
C[C@@H]1CC2=C(SC([N-]C(=O)COCC(=O)[O-])=N2)[C@H](C)O1	REAL300005426136	1	34	-2.0	-111.11	307.23	4.03	-107.08
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)O[C@H]1C(=O)[O-]	REAL300005426138	1	41	-2.0	-111.04	350.68	5.68	-105.36
C[C@@H]1CC2=C(SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2)[C@H](C)O1	REAL300005426139	1	42	-2.0	-108.40	348.17	5.77	-102.63
C[C@@H]1CC2=C(SC([N-]C(=O)COCC3=C(C(=O)[O-])N=CO3)=N2)[C@H](C)O1	REAL300005426144	1	40	-2.0	-118.11	360.99	1.91	-116.20
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426146	1	40	-2.0	-107.45	335.98	5.77	-101.68
C[C@@H]1CC2=C(SC([N-]C(=O)CN3C=CC(C(=O)[O-])=N3)=N2)[C@H](C)O1	REAL300005426150	1	37	-2.0	-120.15	334.30	4.41	-115.74
C[C@@H]1CC2=C(SC([N-]C(=O)CCCN3C=CC(C(=O)[O-])=N3)=N2)[C@H](C)O1	REAL300005426151	1	43	-2.0	-116.95	377.92	5.77	-111.18
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426152	1	37	-2.0	-126.97	316.77	5.11	-121.86
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)=N2)[C@H](C)O1	REAL300005426153	1	44	-2.0	-108.90	372.06	6.14	-102.76
C[C@@H]1CC2=C(SC([N-]C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)=N2)[C@H](C)O1	REAL300005426154	1	44	-2.0	-100.09	370.38	5.05	-95.04
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CC[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426155	1	37	-2.0	-126.97	316.77	5.11	-121.86
C[C@@H]1CC2=C(SC([N-]C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426157	1	45	-2.0	-131.08	359.65	7.29	-123.79
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426158	1	39	-2.0	-115.09	321.27	5.44	-109.65
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426159	1	43	-2.0	-124.02	342.66	6.91	-117.11
C[C@@H]1CC2=C(SC([N-]C(=O)CN3CCCC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426160	1	45	-2.0	-115.40	369.01	4.32	-111.08
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300005426161	1	44	-2.0	-119.90	370.69	8.29	-111.61
C[C@@H]1CC2=C(SC([N-]C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)=N2)[C@H](C)O1	REAL300005426163	1	44	-2.0	-113.39	386.24	8.36	-105.03
C[C@@H]1CC2=C(SC([N-]C(=O)C3CC4(CC4C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426164	1	41	-2.0	-109.35	352.02	6.64	-102.71
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426165	1	37	-2.0	-110.27	320.06	5.23	-105.04
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426166	1	43	-2.0	-133.34	359.97	6.97	-126.37
C[C@@H]1CC2=C(SC([N-]C(=O)C3CC(C)(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300005426168	1	40	-2.0	-111.20	339.63	5.70	-105.50
CCCC(C(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426172	1	39	-2.0	-120.79	334.67	5.45	-115.34
C[C@@H]1CC2=C(SC([N-]C(=O)C3CC4(CC(C(=O)[O-])C4)C3)=N2)[C@H](C)O1	REAL300005426175	1	44	-2.0	-97.87	369.15	7.10	-90.77
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)[C@H](C)O1	REAL300005426178	1	38	-2.0	-121.35	325.36	5.75	-115.60
C[C@@H]1CC2=C(SC([N-]C(=O)CC3(CC(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300005426181	1	40	-2.0	-110.46	340.81	5.94	-104.52
C[C@@H]1CC2=C(SC([N-]C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)=N2)[C@H](C)O1	REAL300005426182	1	41	-2.0	-97.78	362.31	6.74	-91.04
COC(C(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426184	1	34	-2.0	-119.58	305.13	3.95	-115.63
C[C@@H]1CC2=C(SC([N-]C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426185	1	37	-2.0	-127.68	324.18	5.26	-122.42
C[C@@H]1CC2=C(SC([N-]C(=O)CCC3=CC=CN=C3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426191	1	42	-2.0	-123.97	361.85	5.69	-118.28
C[C@@H]1CC2=C(SC([N-]C(=O)C34CC(C(=O)[O-])(C3)CO4)=N2)[C@H](C)O1	REAL300005426192	1	39	-2.0	-101.24	338.97	3.75	-97.49
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426194	1	37	-2.0	-116.59	317.24	5.74	-110.85
C[C@@H]1CC2=C(SC([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)=N2)[C@H](C)O1	REAL300005426195	1	44	-2.0	-122.11	360.16	6.92	-115.19
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426202	1	38	-2.0	-120.66	330.26	5.82	-114.84
C[C@@H]1CC2=C(SC([N-]C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300005426204	1	42	-2.0	-137.15	348.23	4.59	-132.56
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C[C@H]1C(=O)[O-]	REAL300005426206	1	43	-2.0	-130.25	358.11	6.32	-123.93
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300005426207	1	43	-2.0	-102.96	370.00	7.43	-95.53
C[C@@H]1CC2=C(SC([N-]C(=O)CC3=CC(C(=O)[O-])=CS3)=N2)[C@H](C)O1	REAL300005426208	1	37	-2.0	-105.95	344.43	6.05	-99.90
C[C@@H]1CC2=C(SC([N-]C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)=N2)[C@H](C)O1	REAL300005426209	1	40	-2.0	-102.94	357.43	6.93	-96.01
C[C@@H]1CC2=C(SC([N-]C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)=N2)[C@H](C)O1	REAL300005426210	1	40	-2.0	-127.44	334.87	5.77	-121.67
C[C@@H]1CC2=C(SC([N-]C(=O)C34CCC(C(=O)[O-])(CC3)CC4)=N2)[C@H](C)O1	REAL300005426212	1	47	-2.0	-96.84	373.82	7.13	-89.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)O1	REAL300005427720	1	41	-2.0	-95.71	375.67	1.64	-94.07
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)=N1	REAL300005429066	1	37	-2.0	-102.57	332.32	5.54	-97.03
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300005429138	0	37	-2.0	-100.46	329.38	3.96	-96.50
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300005429138	1	37	-2.0	-100.47	329.44	3.97	-96.50
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)=N1	REAL300005429222	1	42	-2.0	-105.90	365.10	4.86	-101.04
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)=N1	REAL300005429244	1	36	-2.0	-108.02	321.03	3.58	-104.44
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)=N1	REAL300005429367	1	42	-2.0	-116.26	363.12	8.46	-107.80
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)=N1	REAL300005429627	0	37	-2.0	-101.20	348.48	6.11	-95.09
COC1=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)NC(=O)[N-]C1=O	REAL300005429646	1	40	-2.0	-100.53	360.39	0.04	-100.49
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300005429735	0	40	-2.0	-111.43	350.85	4.72	-106.71
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300005429735	1	40	-2.0	-111.45	350.91	4.74	-106.71
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)=N1	REAL300005429767	0	37	-2.0	-99.71	342.12	6.02	-93.69
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)=CO1	REAL300005429797	1	41	-2.0	-111.31	374.58	1.33	-109.98
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300005429917	0	40	-2.0	-102.08	358.61	4.98	-97.10
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300005429917	1	40	-2.0	-102.07	358.67	4.99	-97.08
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)=N1	REAL300005430129	0	35	-2.0	-98.51	318.95	4.00	-94.51
COCC1=NC=C(C(=O)N2CCCC(C3=NC(C(=O)[O-])=CS3)C2)C(=O)[N-]1	REAL300005430158	1	42	-2.0	-105.28	366.95	2.51	-102.77
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)=N1	REAL300005430198	1	45	-2.0	-106.73	379.28	5.41	-101.32
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C([O-])C(F)=C2)N=N1	REAL300005432350	1	43	-2.0	-106.91	357.62	5.73	-101.18
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300005432401	0	43	-2.0	-104.16	355.61	4.22	-99.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300005432401	1	43	-2.0	-104.20	355.55	4.20	-100.00
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)N=N1	REAL300005432464	1	48	-2.0	-103.69	397.12	5.82	-97.87
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CN=CC([O-])=C2)N=N1	REAL300005432478	1	42	-2.0	-113.89	344.90	3.74	-110.15
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=N1	REAL300005432551	1	48	-2.0	-130.49	389.55	8.55	-121.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=N1	REAL300005432734	0	43	-2.0	-104.00	371.51	6.27	-97.73
COC1=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)NC(=O)[N-]C1=O	REAL300005432746	1	46	-2.0	-106.65	386.98	0.28	-106.37
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC2=NN=N[N-]2)N=N1	REAL300005432802	0	46	-2.0	-115.96	377.76	5.02	-110.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC2=N[N-]N=N2)N=N1	REAL300005432802	1	46	-2.0	-115.94	377.70	5.00	-110.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)N=N1	REAL300005432824	0	43	-2.0	-104.08	367.42	6.21	-97.87
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300005432927	0	46	-2.0	-96.69	385.52	5.16	-91.53
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300005432927	1	46	-2.0	-96.72	385.46	5.15	-91.57
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=C[N-]N=CC2=O)N=N1	REAL300005433067	0	41	-2.0	-96.66	344.90	4.83	-91.83
COCC1=NC=C(C(=O)N2CCCCC2CCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]1	REAL300005433082	1	48	-2.0	-103.64	398.98	3.47	-100.17
CC1=C(CCC(=O)N2CC(C)CCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005433854	1	54	-2.0	-124.71	415.32	8.92	-115.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)CCC2C(=O)[O-])C=C1	REAL300005434404	1	46	-2.0	-136.98	379.71	11.70	-125.28
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300005434765	1	47	-2.0	-103.27	380.61	5.06	-98.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)CCC2C(=O)[O-])O1	REAL300005434766	1	38	-2.0	-101.35	325.19	2.68	-98.67
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)CCC2C(=O)[O-])=CS1	REAL300005435265	1	45	-2.0	-131.41	365.59	7.40	-124.01
CC1=C(CC(=O)N2CC(C)CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005435457	1	47	-2.0	-135.58	380.20	7.33	-128.25
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005436231	1	37	-2.0	-140.11	308.41	8.58	-131.53
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005436307	0	40	-2.0	-113.06	329.71	4.93	-108.13
CC1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005436325	1	39	-2.0	-120.89	319.68	6.77	-114.12
CC(C)C1=CC(N2C=C([O-])C(C(=O)N3CC(C)CCC3C(=O)[O-])=N2)=CC=C1	REAL300005436373	0	50	-2.0	-151.04	393.49	10.29	-140.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)CCC3C(=O)[O-])=N2)C=C1	REAL300005436374	0	50	-2.0	-150.13	388.14	10.37	-139.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300005436426	0	44	-2.0	-147.26	354.58	9.48	-137.78
CC1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005436431	0	41	-2.0	-148.57	339.63	8.43	-140.14
CC1CCC(C(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005436449	1	39	-2.0	-150.54	315.02	8.65	-141.89
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005436467	0	41	-2.0	-111.43	352.82	6.39	-105.04
CC1CCC(C(=O)[O-])N(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005436507	0	33	-2.0	-114.35	291.97	6.03	-108.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)CCC3C(=O)[O-])=N2)=C1	REAL300005436555	0	44	-2.0	-155.86	352.67	9.13	-146.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300005436556	0	47	-2.0	-153.62	370.07	10.21	-143.41
CC1=C(CC(=O)N2CC(C)CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005436598	1	47	-2.0	-133.59	380.38	7.32	-126.27
CC1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005436633	0	34	-2.0	-108.20	290.56	7.48	-100.72
COC1=C(C(=O)N2CC(C)CCC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005436639	1	37	-2.0	-106.26	309.48	1.10	-105.16
CCOC1=CC(C(=O)N2CC(C)CCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005436717	1	41	-2.0	-113.24	336.86	8.49	-104.75
CC1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005436720	0	44	-2.0	-155.57	363.89	9.73	-145.84
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)CCC3C(=O)[O-])=N2)C=C1	REAL300005436725	0	45	-2.0	-149.55	362.69	7.66	-141.89
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)CCC2C(=O)[O-])=CO1	REAL300005436736	1	38	-2.0	-116.63	320.71	2.91	-113.72
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005436842	0	37	-2.0	-98.32	308.57	5.83	-92.49
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005436842	1	37	-2.0	-98.27	308.64	5.83	-92.44
COCC1=NC=C(C(=O)N2CC(C)CCC2C(=O)[O-])C(=O)[N-]1	REAL300005437053	1	39	-2.0	-119.57	321.54	4.43	-115.14
CC1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005437087	1	42	-2.0	-131.82	337.62	6.42	-125.40
CC1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005437282	0	34	-2.0	-122.37	312.63	9.05	-113.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)O1	REAL300005438783	1	41	-2.0	-97.88	370.08	2.67	-95.21
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=CS1	REAL300005439235	1	48	-2.0	-118.17	413.38	7.07	-111.10
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005440317	1	37	-2.0	-100.54	323.49	6.82	-93.72
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005440328	1	40	-2.0	-120.37	355.34	9.42	-110.95
CC(C1=CC=CC=C1)C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300005440362	0	37	-2.0	-97.08	320.62	4.88	-92.20
CC(C1=CC=CC=C1)C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300005440362	1	37	-2.0	-97.06	320.68	4.89	-92.17
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005440433	0	43	-2.0	-104.32	378.40	4.93	-99.39
CC(C1=CC=CC=C1)C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005440458	1	42	-2.0	-112.87	356.43	6.40	-106.47
CC(C1=CC=CC=C1)C(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300005440495	1	36	-2.0	-106.06	313.84	5.01	-101.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300005440576	0	47	-2.0	-129.76	405.59	9.05	-120.71
CC(C1=CC=CC=C1)C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005440581	0	44	-2.0	-130.93	384.15	8.10	-122.83
CC(C1=CC=CC=C1)C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005440612	1	42	-2.0	-136.45	359.14	9.04	-127.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C3=CC=CC=C3)=N2)=C1	REAL300005440750	0	47	-2.0	-138.27	402.49	8.68	-129.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300005440751	0	50	-2.0	-137.75	419.26	9.79	-127.96
CC(C1=CC=CC=C1)C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005440862	0	37	-2.0	-99.42	341.01	7.47	-91.95
COC1=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300005440873	1	40	-2.0	-100.32	345.60	2.52	-97.80
CC(C1=CC=CC=C1)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005440953	0	40	-2.0	-106.10	342.40	5.72	-100.38
CC(C1=CC=CC=C1)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005440953	1	40	-2.0	-106.12	342.45	5.73	-100.39
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005440985	0	37	-2.0	-98.55	333.28	7.31	-91.24
CCOC1=CC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300005440989	1	44	-2.0	-104.51	385.86	8.43	-96.08
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C3=CC=CC=C3)=N2)C=C1	REAL300005440995	0	48	-2.0	-133.13	407.22	7.33	-125.80
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=CO1	REAL300005441011	1	41	-2.0	-103.78	369.22	2.63	-101.15
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005441151	0	40	-2.0	-92.19	352.98	5.53	-86.66
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005441151	1	40	-2.0	-92.19	353.04	5.54	-86.65
CC(C1=CC=CC=C1)C(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300005441389	0	35	-2.0	-102.07	304.44	5.39	-96.68
COCC1=NC=C(C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C(=O)[N-]1	REAL300005441413	1	42	-2.0	-112.32	358.41	4.04	-108.28
CC(C1=CC=CC=C1)C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005441456	1	45	-2.0	-113.07	372.18	6.96	-106.11
CC(C1=CC=CC=C1)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005441703	0	37	-2.0	-116.15	347.78	9.39	-106.76
COC1=CC=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C([O-])=C1	REAL300005444399	1	44	-2.0	-109.02	363.27	5.74	-103.28
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005444723	1	40	-2.0	-98.02	342.24	5.01	-93.01
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300005444774	0	40	-2.0	-92.64	340.53	3.08	-89.56
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300005444774	1	40	-2.0	-92.66	340.59	3.10	-89.56
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005444837	1	45	-2.0	-115.94	378.16	4.64	-111.30
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300005444851	1	39	-2.0	-95.10	331.08	3.12	-91.98
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005444925	0	45	-2.0	-121.78	378.31	7.15	-114.63
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005445117	0	40	-2.0	-92.84	358.97	5.58	-87.26
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300005445186	0	43	-2.0	-92.63	362.07	3.87	-88.76
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300005445186	1	43	-2.0	-92.59	362.13	3.88	-88.71
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005445209	0	40	-2.0	-94.76	352.04	5.51	-89.25
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005445314	0	43	-2.0	-92.72	373.78	3.74	-88.98
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005445314	1	43	-2.0	-92.80	373.71	3.73	-89.07
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300005445459	0	38	-2.0	-102.18	324.18	3.58	-98.60
COCC1=NC=C(C(=O)NC2=CC=C(OC3CCOC3)C=C2C(=O)[O-])C(=O)[N-]1	REAL300005445475	1	45	-2.0	-114.17	380.00	2.30	-111.87
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005445506	1	48	-2.0	-116.14	393.91	5.18	-110.96
CC1=C(CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005446282	1	54	-2.0	-97.33	424.78	6.92	-90.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=C1	REAL300005446635	0	44	-2.0	-99.66	366.67	4.70	-94.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005446947	0	44	-2.0	-100.61	367.78	4.84	-95.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C=C1	REAL300005446997	1	46	-2.0	-110.27	389.80	9.78	-100.49
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])O1	REAL300005447449	1	47	-2.0	-93.45	392.51	3.19	-90.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])O1	REAL300005447450	1	38	-2.0	-92.80	338.90	0.65	-92.15
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=C1	REAL300005447681	0	48	-2.0	-106.50	402.26	2.85	-103.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005447727	0	41	-2.0	-99.17	346.32	3.95	-95.22
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=CS1	REAL300005448101	1	45	-2.0	-99.32	380.64	5.08	-94.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005448336	0	41	-2.0	-93.37	352.89	4.05	-89.32
CC1=C(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005448341	1	47	-2.0	-107.74	390.62	5.24	-102.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005448345	0	47	-2.0	-101.11	389.28	5.63	-95.48
CC1=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005448416	1	47	-2.0	-101.09	370.63	5.47	-95.62
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	REAL300005449166	0	47	-2.0	-103.25	392.35	6.24	-97.01
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005449361	1	37	-2.0	-99.62	322.46	7.43	-92.19
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C=N1	REAL300005449460	0	40	-2.0	-96.36	346.88	3.03	-93.33
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005449491	1	39	-2.0	-99.36	325.42	4.42	-94.94
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005449545	0	50	-2.0	-114.18	406.44	8.06	-106.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005449546	0	50	-2.0	-112.71	407.19	8.02	-104.69
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=N1	REAL300005449622	0	44	-2.0	-109.49	373.99	7.16	-102.33
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005449627	0	41	-2.0	-112.31	353.42	6.17	-106.14
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005449651	1	39	-2.0	-112.03	326.57	7.04	-104.99
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005449671	0	41	-2.0	-85.46	368.88	4.27	-81.19
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005449720	0	33	-2.0	-88.63	307.57	4.02	-84.61
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=N2)=C1	REAL300005449783	0	44	-2.0	-116.70	370.99	6.80	-109.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=N1	REAL300005449784	0	47	-2.0	-114.80	388.33	7.83	-106.97
CC1=C(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005449844	1	47	-2.0	-107.43	390.77	5.21	-102.22
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005449887	0	34	-2.0	-89.49	308.48	5.45	-84.04
COC1=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005449895	1	37	-2.0	-92.63	314.44	0.53	-92.10
CCOC1=CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005450002	1	41	-2.0	-94.24	353.26	6.43	-87.81
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005450006	0	44	-2.0	-118.00	376.13	7.58	-110.42
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005450014	0	45	-2.0	-112.57	376.48	5.40	-107.17
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])=CO1	REAL300005450034	1	38	-2.0	-93.30	338.18	0.63	-92.67
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005450165	0	37	-2.0	-85.86	321.18	3.56	-82.30
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005450165	1	37	-2.0	-85.89	321.25	3.58	-82.31
COCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]1	REAL300005450437	1	39	-2.0	-97.91	326.96	2.05	-95.86
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005450476	1	42	-2.0	-99.47	341.17	4.96	-94.51
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005450737	0	34	-2.0	-96.21	316.53	7.46	-88.75
CC1=C(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005450998	0	42	-2.0	-103.91	351.26	4.53	-99.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)O1	REAL300005452346	1	40	-2.0	-121.19	340.64	3.71	-117.48
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC2=CC=CC(C(=O)[O-])=C2C1	REAL300005452539	0	43	-2.0	-121.74	368.34	5.38	-116.36
CC1=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005453087	1	49	-2.0	-124.30	398.46	6.67	-117.63
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C([O-])C(F)=C1)CCO2	REAL300005454100	1	36	-2.0	-116.96	297.50	6.00	-110.96
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCO2	REAL300005454113	1	39	-2.0	-109.77	330.04	8.10	-101.67
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CCO2	REAL300005454169	0	36	-2.0	-104.69	309.45	4.87	-99.82
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300005454169	1	36	-2.0	-104.68	309.50	4.88	-99.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C=N1	REAL300005454250	0	42	-2.0	-115.09	365.99	4.53	-110.56
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCO2	REAL300005454281	1	41	-2.0	-123.35	350.90	5.90	-117.45
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CN=CC([O-])=C1)CCO2	REAL300005454320	1	35	-2.0	-113.82	288.42	4.33	-109.49
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CCO2	REAL300005454432	0	43	-2.0	-137.93	370.39	8.31	-129.62
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCO2	REAL300005454479	1	41	-2.0	-120.85	331.89	9.45	-111.40
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCO2	REAL300005454769	0	36	-2.0	-104.52	326.88	6.97	-97.55
COC1=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)NC(=O)[N-]C1=O	REAL300005454788	1	39	-2.0	-103.09	339.46	0.94	-102.15
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL300005454885	0	39	-2.0	-118.17	330.91	5.62	-112.55
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL300005454885	1	39	-2.0	-118.19	330.97	5.64	-112.55
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CCO2	REAL300005454921	0	36	-2.0	-114.52	307.30	6.49	-108.03
CCOC1=CC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)=CC(Cl)=C1[O-]	REAL300005454925	1	43	-2.0	-109.24	373.08	7.99	-101.25
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)=CO1	REAL300005454958	1	40	-2.0	-108.26	346.30	2.01	-106.25
CC1=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C2=C([N-]C=NC2=O)O1	REAL300005455060	0	40	-2.0	-116.70	348.68	4.27	-112.43
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCO2	REAL300005455120	0	39	-2.0	-106.76	328.61	5.97	-100.79
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCO2	REAL300005455120	1	39	-2.0	-106.72	328.66	5.97	-100.75
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300005455400	0	34	-2.0	-110.84	282.39	5.35	-105.49
COCC1=NC=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C(=O)[N-]1	REAL300005455433	1	41	-2.0	-123.78	352.35	3.47	-120.31
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCO2	REAL300005455481	1	44	-2.0	-123.24	366.76	6.47	-116.77
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCO2	REAL300005455786	0	36	-2.0	-121.09	338.09	7.63	-113.46
CC1=C(C(=O)N2CCOC3=CC=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005456090	0	44	-2.0	-126.39	378.69	5.73	-120.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)O1	REAL300005457475	1	42	-2.0	-100.89	370.79	1.72	-99.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(N2C=CC(C(=O)[O-])=N2)CC1	REAL300005457665	0	45	-2.0	-104.40	383.63	4.63	-99.77
CC1=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005458197	1	51	-2.0	-105.22	414.19	5.98	-99.24
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)C=C1	REAL300005459194	1	38	-2.0	-100.70	325.92	5.70	-95.00
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)C=C1	REAL300005459207	1	41	-2.0	-104.73	359.73	6.94	-97.79
O=C([O-])C1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300005459263	0	38	-2.0	-96.20	324.75	4.16	-92.04
O=C([O-])C1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300005459263	1	38	-2.0	-96.19	324.69	4.15	-92.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C=N1	REAL300005459343	0	44	-2.0	-103.34	382.84	3.86	-99.48
O=C([O-])C1=NN(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)C=C1	REAL300005459374	1	43	-2.0	-103.91	366.48	5.20	-98.71
O=C([O-])C1=NN(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C=C1	REAL300005459413	1	37	-2.0	-101.00	315.47	3.73	-97.27
O=C([O-])C1=NN(C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)C=C1	REAL300005459525	0	45	-2.0	-111.92	385.11	7.55	-104.37
O=C([O-])C1=NN(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)C=C1	REAL300005459571	1	43	-2.0	-111.66	361.30	8.01	-103.65
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)C=C1	REAL300005459859	0	38	-2.0	-97.97	341.93	6.25	-91.72
COC1=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)NC(=O)[N-]C1=O	REAL300005459878	1	41	-2.0	-98.17	355.32	0.21	-97.96
O=C([O-])C1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300005459974	0	41	-2.0	-104.99	346.22	4.93	-100.06
O=C([O-])C1=NN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300005459974	1	41	-2.0	-105.02	346.16	4.91	-100.11
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)C=C1	REAL300005460009	0	38	-2.0	-97.10	335.73	6.18	-90.92
CCOC1=CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)=CC(Cl)=C1[O-]	REAL300005460013	1	45	-2.0	-99.70	388.56	7.27	-92.43
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)=CO1	REAL300005460046	1	42	-2.0	-97.51	371.02	1.56	-95.95
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300005460206	0	41	-2.0	-93.83	353.96	5.19	-88.64
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300005460206	1	41	-2.0	-93.84	353.89	5.18	-88.66
O=C([O-])C1=NN(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C=C1	REAL300005460483	0	36	-2.0	-93.71	314.29	4.19	-89.52
COCC1=NC=C(C(=O)N2CCC(N3C=CC(C(=O)[O-])=N3)CC2)C(=O)[N-]1	REAL300005460516	1	43	-2.0	-102.21	368.32	2.75	-99.46
O=C([O-])C1=NN(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)C=C1	REAL300005460564	1	46	-2.0	-96.35	377.02	5.66	-90.69
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)C=C1	REAL300005460866	0	38	-2.0	-100.50	353.81	7.00	-93.50
CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(O)C(=O)[O-]	REAL300005461677	1	51	-2.0	-98.92	404.24	3.66	-95.26
CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(O)C(=O)[O-]	REAL300005462011	0	41	-2.0	-99.23	345.25	1.14	-98.09
CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(O)C(=O)[O-]	REAL300005462306	0	41	-2.0	-105.52	346.55	1.72	-103.80
CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(O)C(=O)[O-]	REAL300005462353	1	43	-2.0	-128.20	373.42	6.91	-121.29
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(O)C(=O)[O-]	REAL300005462531	1	45	-2.0	-103.24	385.64	3.70	-99.54
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(O)C(=O)[O-]	REAL300005462532	1	45	-2.0	-98.91	384.59	3.35	-95.56
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(O)C(=O)[O-]	REAL300005462544	0	41	-2.0	-80.57	365.84	1.54	-79.03
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(O)C(=O)[O-]	REAL300005462770	0	42	-2.0	-95.69	376.34	2.36	-93.33
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(O)C(=O)[O-]	REAL300005462788	1	44	-2.0	-97.34	372.30	-0.05	-97.39
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(O)C(=O)[O-]	REAL300005462789	1	35	-2.0	-96.04	317.57	-2.51	-98.55
CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(O)C(=O)[O-]	REAL300005463020	0	45	-2.0	-105.57	379.94	-0.64	-106.21
CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(O)C(=O)[O-]	REAL300005463064	0	38	-2.0	-104.02	325.08	0.82	-103.20
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(O)C(=O)[O-]	REAL300005463072	0	42	-2.0	-97.37	376.52	2.36	-95.01
CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(O)C(=O)[O-]	REAL300005463417	1	42	-2.0	-98.89	358.06	1.56	-97.33
CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(O)C(=O)[O-]	REAL300005463629	0	38	-2.0	-92.60	330.27	0.52	-92.08
CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(O)C(=O)[O-]	REAL300005463636	1	44	-2.0	-104.47	370.14	2.11	-102.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC)C(O)C(=O)[O-]	REAL300005463641	0	44	-2.0	-106.08	368.05	2.51	-103.57
CCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(O)C(=O)[O-]	REAL300005463698	1	44	-2.0	-106.90	349.97	2.29	-104.61
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(O)C(=O)[O-]	REAL300005463791	1	45	-2.0	-95.20	385.80	3.69	-91.51
CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(O)C(=O)[O-]	REAL300005464335	0	44	-2.0	-103.47	369.74	2.72	-100.75
CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(O)C(=O)[O-]	REAL300005464503	1	34	-2.0	-104.64	301.23	4.16	-100.48
CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(O)C(=O)[O-]	REAL300005464593	0	37	-2.0	-100.13	326.13	-0.16	-100.29
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(O)C(=O)[O-]	REAL300005464654	1	44	-2.0	-91.23	380.84	1.91	-89.32
CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(O)C(=O)[O-]	REAL300005464669	0	47	-2.0	-120.44	385.66	4.85	-115.59
CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(O)C(=O)[O-]	REAL300005464736	0	41	-2.0	-108.46	351.97	3.61	-104.85
CCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(O)C(=O)[O-]	REAL300005464760	1	36	-2.0	-111.51	303.81	3.44	-108.07
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(O)C(=O)[O-]	REAL300005464778	0	38	-2.0	-83.82	346.13	0.77	-83.05
CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(O)C(=O)[O-]	REAL300005464816	0	30	-2.0	-87.02	285.37	0.50	-86.52
CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(O)C(=O)[O-]	REAL300005464866	0	41	-2.0	-115.87	348.99	3.24	-112.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)C(O)C(=O)[O-])=N1	REAL300005464867	0	44	-2.0	-114.25	365.51	4.32	-109.93
CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(O)C(=O)[O-]	REAL300005464911	1	44	-2.0	-102.48	369.41	2.05	-100.43
CCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(O)C(=O)[O-]	REAL300005464945	0	31	-2.0	-86.26	285.67	1.95	-84.31
CCOC1=CC(C(=O)NC(CC)C(O)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005465029	1	38	-2.0	-90.69	330.51	2.93	-87.76
CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(O)C(=O)[O-]	REAL300005465033	0	41	-2.0	-116.35	354.14	4.03	-112.32
CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(O)C(=O)[O-]	REAL300005465039	0	42	-2.0	-120.10	354.96	2.23	-117.87
CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(O)C(=O)[O-]	REAL300005465057	1	35	-2.0	-93.51	316.57	-2.52	-96.03
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C(=O)[O-]	REAL300005465174	0	34	-2.0	-81.95	299.21	0.02	-81.93
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C(=O)[O-]	REAL300005465174	1	34	-2.0	-81.95	299.28	0.03	-81.92
CCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(O)C(=O)[O-]	REAL300005465441	1	39	-2.0	-94.38	318.16	1.46	-92.92
CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(O)C(=O)[O-]	REAL300005465651	0	31	-2.0	-96.07	294.03	3.86	-92.21
CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(O)C(=O)[O-]	REAL300005465883	0	39	-2.0	-109.87	330.17	1.38	-108.49
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])=C1	REAL300005466679	0	44	-2.0	-117.61	385.92	4.38	-113.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005466978	0	44	-2.0	-118.16	385.25	4.68	-113.48
CN1C=CN=C1CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005467436	1	47	-2.0	-103.74	412.01	2.79	-100.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])O1	REAL300005467437	1	38	-2.0	-101.91	355.72	0.44	-101.47
CN1C=CN=C1CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005467698	0	41	-2.0	-116.49	363.79	3.78	-112.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=NC=CN2C)C(=O)[O-])=CS1	REAL300005468038	1	45	-2.0	-115.43	398.91	4.88	-110.55
CN1C=CN=C1CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005468268	0	41	-2.0	-110.55	371.14	3.85	-106.70
CC1=C(CC(=O)NC(CC2=NC=CN2C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005468270	1	47	-2.0	-127.55	409.10	4.96	-122.59
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=NC=CN1C)C(=O)[O-]	REAL300005468273	0	47	-2.0	-119.00	407.50	5.39	-113.61
CC1=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005468356	1	47	-2.0	-110.09	380.44	5.23	-104.86
CN1C=CN=C1CC(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005469414	1	34	-2.0	-103.23	310.53	4.73	-98.50
CN1C=CN=C1CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005469426	1	37	-2.0	-118.69	340.68	7.17	-111.52
CN1C=CN=C1CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005469532	0	40	-2.0	-105.40	356.60	2.76	-102.64
CN1C=CN=C1CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005469567	1	39	-2.0	-120.56	343.22	5.30	-115.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])=N2)=C1	REAL300005469625	0	50	-2.0	-136.31	424.43	7.84	-128.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])=N2)C=C1	REAL300005469626	0	50	-2.0	-134.40	425.11	7.80	-126.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])=N1	REAL300005469722	0	44	-2.0	-130.15	391.54	6.99	-123.16
CN1C=CN=C1CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005469727	0	41	-2.0	-130.97	370.58	5.99	-124.98
CN1C=CN=C1CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005469769	1	39	-2.0	-137.33	343.22	6.81	-130.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])=N2)=C1	REAL300005469934	0	44	-2.0	-138.73	389.67	6.52	-132.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])=N1	REAL300005469935	0	47	-2.0	-121.71	399.53	7.40	-114.31
CN1C=CN=C1CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005470074	0	34	-2.0	-99.08	325.60	5.26	-93.82
COC1=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005470091	1	37	-2.0	-101.01	332.07	0.25	-100.76
CN1C=CN=C1CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005470190	0	37	-2.0	-104.35	329.49	3.55	-100.80
CN1C=CN=C1CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005470190	1	37	-2.0	-104.40	329.55	3.56	-100.84
CN1C=CN=C1CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005470227	0	34	-2.0	-101.11	320.57	5.15	-95.96
CCOC1=CC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005470231	1	41	-2.0	-105.62	371.63	6.20	-99.42
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=NC=CN3C)C(=O)[O-])=N2)C=C1	REAL300005470241	0	45	-2.0	-133.99	393.65	5.22	-128.77
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])=CO1	REAL300005470265	1	38	-2.0	-102.84	356.55	0.39	-102.45
CN1C=CN=C1CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005470431	0	37	-2.0	-94.54	339.46	3.26	-91.28
CN1C=CN=C1CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005470431	1	37	-2.0	-94.47	339.52	3.27	-91.20
COCC1=NC=C(C(=O)NC(CC2=NC=CN2C)C(=O)[O-])C(=O)[N-]1	REAL300005470766	1	39	-2.0	-118.96	345.06	2.94	-116.02
CN1C=CN=C1CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005470814	1	42	-2.0	-121.50	359.72	5.78	-115.72
CN1C=CN=C1CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005471136	0	34	-2.0	-116.15	335.18	7.22	-108.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300005472689	1	38	-2.0	-96.95	370.73	2.99	-93.96
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Cl)=C1	REAL300005474004	1	34	-2.0	-99.45	324.39	7.14	-92.31
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC(Cl)=C1	REAL300005474016	1	37	-2.0	-114.43	347.57	8.95	-105.48
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300005474055	0	34	-2.0	-94.75	314.67	4.48	-90.27
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300005474055	1	34	-2.0	-94.73	314.73	4.50	-90.23
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300005474111	0	40	-2.0	-98.88	372.54	4.52	-94.36
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Cl)=C1	REAL300005474158	1	33	-2.0	-101.36	306.19	4.56	-96.80
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(Cl)=C1	REAL300005474262	1	39	-2.0	-125.84	351.38	8.58	-117.26
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300005474492	0	34	-2.0	-95.59	340.24	7.79	-87.80
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)NC(=O)[N-]C1=O	REAL300005474505	1	37	-2.0	-97.69	346.46	2.76	-94.93
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300005474576	0	37	-2.0	-101.19	343.05	6.07	-95.12
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300005474576	1	37	-2.0	-101.20	343.11	6.08	-95.12
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300005474605	0	34	-2.0	-96.82	334.18	7.63	-89.19
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1[O-]	REAL300005474608	1	41	-2.0	-100.92	385.08	8.77	-92.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)=CO1	REAL300005474629	1	38	-2.0	-102.47	363.18	2.21	-100.26
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300005474754	0	37	-2.0	-87.62	346.78	5.06	-82.56
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300005474754	1	37	-2.0	-87.60	346.84	5.06	-82.54
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Cl)=C1	REAL300005474957	0	32	-2.0	-91.45	298.49	5.01	-86.44
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C(=O)[N-]1	REAL300005474979	1	39	-2.0	-111.85	351.41	4.75	-107.10
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(Cl)=C1	REAL300005475233	0	34	-2.0	-109.62	341.83	9.02	-100.60
CC1=C(CCC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005476250	1	50	-2.0	-96.61	399.04	5.63	-90.98
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)CC(=O)[O-])=C1	REAL300005476569	0	40	-2.0	-96.82	341.19	3.44	-93.38
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)CC(=O)[O-]	REAL300005476820	1	44	-2.0	-94.05	386.97	5.70	-88.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)CC(=O)[O-]	REAL300005476861	0	40	-2.0	-97.82	341.27	3.66	-94.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)CC(=O)[O-])C=C1	REAL300005476899	1	42	-2.0	-102.18	363.26	8.58	-93.60
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)CC(=O)[O-]	REAL300005476949	1	44	-2.0	-89.32	386.76	5.72	-83.60
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1	REAL300005476951	1	47	-2.0	-91.93	400.43	6.41	-85.52
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300005477066	1	44	-2.0	-95.76	380.36	5.65	-90.11
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300005477067	1	44	-2.0	-98.45	380.54	5.65	-92.80
CC1=CC(C(=O)NCC(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005477079	0	40	-2.0	-80.89	361.78	3.83	-77.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C2)C=C1	REAL300005477205	1	47	-2.0	-92.61	401.92	6.32	-86.29
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)CC(=O)[O-]	REAL300005477289	0	41	-2.0	-95.07	372.28	4.65	-90.42
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)CC(=O)[O-]	REAL300005477306	1	43	-2.0	-89.31	365.87	1.99	-87.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)CC(=O)[O-])O1	REAL300005477307	1	34	-2.0	-89.07	312.25	-0.54	-89.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)CC(=O)[O-])=C2)C=C1	REAL300005477419	1	47	-2.0	-100.59	401.95	6.30	-94.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)CC(=O)[O-])=C2)=C1	REAL300005477458	1	47	-2.0	-101.08	401.95	6.31	-94.77
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)CC(=O)[O-])=C1	REAL300005477530	0	44	-2.0	-102.68	375.91	1.67	-101.01
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300005477578	0	37	-2.0	-96.46	319.80	2.77	-93.69
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)CC(=O)[O-]	REAL300005477586	0	41	-2.0	-96.78	372.47	4.66	-92.12
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)CC(=O)[O-]	REAL300005477587	0	44	-2.0	-103.59	397.12	5.33	-98.26
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)CC(=O)[O-])=CS1	REAL300005477901	1	41	-2.0	-97.37	353.99	3.87	-93.50
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300005478075	0	37	-2.0	-90.92	326.21	2.83	-88.09
CC1=C(CC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005478084	1	43	-2.0	-103.19	364.85	4.07	-99.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)CC(=O)[O-]	REAL300005478089	0	43	-2.0	-98.30	362.77	4.45	-93.85
CC1=C(C(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005478140	1	43	-2.0	-94.89	343.88	4.26	-90.63
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300005478247	1	44	-2.0	-91.91	380.52	5.65	-86.26
CC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300005478671	0	43	-2.0	-101.18	365.69	5.03	-96.15
CC(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)CC(=O)[O-]	REAL300005478754	0	30	-2.0	-83.04	300.19	4.97	-78.07
CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300005478808	1	33	-2.0	-96.82	295.96	6.24	-90.58
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)CC(=O)[O-]	REAL300005478884	0	36	-2.0	-92.96	320.86	1.79	-91.17
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)CC(=O)[O-]	REAL300005478938	1	43	-2.0	-88.31	375.56	3.87	-84.44
CC(C)C1=CC(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)=CC=C1	REAL300005478953	0	46	-2.0	-109.77	380.45	6.85	-102.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)C=C1	REAL300005478954	0	46	-2.0	-108.35	380.39	6.85	-101.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N1	REAL300005479008	0	40	-2.0	-105.22	347.92	5.95	-99.27
CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC(=O)[O-]	REAL300005479011	0	37	-2.0	-106.13	326.60	5.00	-101.13
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)CC(=O)[O-]	REAL300005479039	0	37	-2.0	-83.21	342.07	3.09	-80.12
CC(CNC(=O)C1=CN=C(I)C([O-])=C1)CC(=O)[O-]	REAL300005479070	0	29	-2.0	-86.55	281.32	2.82	-83.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)=C1	REAL300005479108	0	40	-2.0	-112.49	344.94	5.58	-106.91
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N1	REAL300005479109	0	43	-2.0	-110.81	361.43	6.66	-104.15
CC1=C(CC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005479133	1	43	-2.0	-101.77	364.12	4.02	-97.75
CCOC1=CC(C(=O)NCC(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005479206	1	37	-2.0	-90.91	326.47	5.22	-85.69
CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300005479210	0	40	-2.0	-113.37	350.09	6.37	-107.00
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)C=C1	REAL300005479216	0	41	-2.0	-108.45	349.67	4.23	-104.22
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)CC(=O)[O-])=CO1	REAL300005479231	1	34	-2.0	-91.57	311.39	-0.55	-92.12
CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300005479693	0	30	-2.0	-93.33	290.02	6.28	-87.05
CC1=C(C(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005479870	0	38	-2.0	-98.05	324.12	3.34	-94.71
CC1=C(CCC(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005480278	1	52	-2.0	-99.60	411.43	4.33	-95.27
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005480633	0	42	-2.0	-102.45	353.59	2.15	-100.30
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005480943	0	42	-2.0	-103.05	353.66	2.37	-100.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300005480993	1	44	-2.0	-108.37	375.29	7.44	-100.93
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)O1	REAL300005481445	1	45	-2.0	-100.34	378.26	0.70	-99.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)O1	REAL300005481446	1	36	-2.0	-99.15	324.63	-1.83	-100.98
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300005481677	0	46	-2.0	-117.08	391.87	0.22	-116.86
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005481723	0	39	-2.0	-101.62	332.19	1.48	-100.14
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCOC2)=CS1	REAL300005482095	1	43	-2.0	-100.07	366.35	2.58	-97.49
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005482332	0	39	-2.0	-98.43	341.89	1.39	-97.04
CC1=C(CC(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005482335	1	45	-2.0	-111.73	376.32	2.74	-108.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005482338	0	45	-2.0	-103.50	375.16	3.16	-100.34
CC1=C(C(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005482409	1	45	-2.0	-112.43	357.01	2.99	-109.44
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CCOC1	REAL300005483173	0	45	-2.0	-107.27	381.37	3.58	-103.69
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOC1	REAL300005483367	1	35	-2.0	-99.61	307.62	5.10	-94.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C=N1	REAL300005483468	0	38	-2.0	-101.52	333.24	0.51	-101.01
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOC1	REAL300005483498	1	37	-2.0	-110.17	311.06	1.92	-108.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOC3)=N2)=C1	REAL300005483552	0	48	-2.0	-122.34	396.13	5.40	-116.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300005483553	0	48	-2.0	-118.85	392.77	5.57	-113.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300005483631	0	42	-2.0	-114.75	360.30	4.67	-110.08
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOC1	REAL300005483636	0	39	-2.0	-115.74	342.28	3.54	-112.20
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOC1	REAL300005483662	1	37	-2.0	-118.75	312.15	4.58	-114.17
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCOC1	REAL300005483682	0	39	-2.0	-87.26	357.76	1.65	-85.61
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CCOC1	REAL300005483731	0	31	-2.0	-92.10	297.00	1.38	-90.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOC3)=N2)=C1	REAL300005483796	0	42	-2.0	-122.57	357.33	4.28	-118.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300005483797	0	45	-2.0	-119.56	366.85	5.44	-114.12
CC1=C(CC(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005483857	1	45	-2.0	-110.33	376.51	2.73	-107.60
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOC1	REAL300005483902	0	32	-2.0	-91.74	294.01	2.95	-88.79
COC1=C(C(=O)NCC2(C(=O)[O-])CCOC2)NC(=O)[N-]C1=O	REAL300005483910	1	35	-2.0	-94.75	300.16	-1.94	-96.69
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=CC(Cl)=C1[O-]	REAL300005484016	1	39	-2.0	-96.91	338.85	3.94	-92.97
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCOC1	REAL300005484020	0	42	-2.0	-125.91	362.48	5.08	-120.83
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300005484028	0	43	-2.0	-118.63	362.06	2.94	-115.69
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCOC2)=CO1	REAL300005484048	1	36	-2.0	-93.30	327.07	-1.99	-95.29
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300005484179	0	35	-2.0	-89.03	307.55	1.05	-87.98
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300005484179	1	35	-2.0	-88.92	307.61	1.05	-87.87
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]1	REAL300005484456	1	37	-2.0	-108.75	312.90	-0.43	-109.18
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOC1	REAL300005484497	1	40	-2.0	-110.35	326.81	2.47	-107.88
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOC1	REAL300005484757	0	32	-2.0	-97.26	301.69	5.13	-92.13
CC1=C(C(=O)NCC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005485017	0	40	-2.0	-116.23	339.81	1.92	-114.31
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300005485274	0	39	-2.0	-104.84	339.55	6.32	-98.52
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300005485278	0	45	-2.0	-108.13	369.60	6.73	-101.40
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005485279	0	48	-2.0	-102.52	378.22	6.85	-95.67
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300005485348	0	40	-2.0	-106.58	353.67	4.99	-101.59
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300005485365	0	48	-2.0	-102.52	378.22	6.85	-95.67
CC1=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005486589	1	45	-2.0	-108.51	376.59	4.49	-104.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300005486935	1	35	-2.0	-111.98	318.76	2.30	-109.68
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300005487239	1	35	-2.0	-113.38	318.83	2.53	-110.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=NN2)C=C1	REAL300005487285	1	37	-2.0	-120.96	341.21	7.45	-113.51
O=C([O-])C1=NNC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)=C1	REAL300005487467	1	39	-2.0	-109.36	357.91	4.53	-104.83
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300005487468	1	39	-2.0	-111.52	358.09	4.52	-107.00
CC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005487481	0	35	-2.0	-89.68	339.34	2.71	-86.97
CC1=CC(C(=O)NC2=NNC(C(=O)[O-])=C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005487481	1	35	-2.0	-80.24	339.95	2.52	-77.72
O=C([O-])C1=NNC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)=C1	REAL300005487709	0	36	-2.0	-101.91	349.84	3.53	-98.38
O=C([O-])C1=CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)=NN1	REAL300005487709	1	36	-2.0	-92.90	350.45	3.34	-89.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)O1	REAL300005487728	1	38	-2.0	-93.01	345.25	0.72	-92.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)O1	REAL300005487729	1	29	-2.0	-92.53	289.80	-1.67	-94.20
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300005487966	0	39	-2.0	-119.51	353.46	0.53	-118.98
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300005488011	0	32	-2.0	-111.89	297.37	1.63	-110.26
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)=C1	REAL300005488019	0	36	-2.0	-110.01	350.03	3.53	-106.48
O=C([O-])C1=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)=NN1	REAL300005488019	1	36	-2.0	-99.26	350.63	3.33	-95.93
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=NN2)=CS1	REAL300005488362	1	36	-2.0	-117.54	331.59	2.74	-114.80
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300005488567	0	32	-2.0	-104.50	303.78	1.70	-102.80
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005488574	1	38	-2.0	-119.37	342.43	2.93	-116.44
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300005488579	1	38	-2.0	-113.89	340.33	3.32	-110.57
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005488637	1	38	-2.0	-96.30	322.19	3.13	-93.17
O=C([O-])C1=NNC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)=C1	REAL300005488737	1	39	-2.0	-102.95	358.09	4.50	-98.45
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300005489262	0	38	-2.0	-117.62	343.25	3.89	-113.73
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300005489421	1	28	-2.0	-113.99	273.50	4.99	-109.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C=N1	REAL300005489506	0	31	-2.0	-100.45	298.41	0.66	-99.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)=C1	REAL300005489567	0	38	-2.0	-99.59	353.14	2.75	-96.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300005489582	0	41	-2.0	-121.80	358.01	5.70	-116.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300005489582	1	41	-2.0	-113.69	358.61	5.50	-108.19
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300005489583	0	41	-2.0	-120.99	357.94	5.70	-115.29
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)C=C1	REAL300005489583	1	41	-2.0	-112.53	358.55	5.50	-107.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2)=N1	REAL300005489650	0	35	-2.0	-118.21	320.07	4.77	-113.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2)=N1	REAL300005489650	1	35	-2.0	-109.74	326.08	4.61	-105.13
O=C([O-])C1=NNC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300005489654	0	32	-2.0	-120.01	304.16	3.85	-116.16
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=NN1	REAL300005489654	1	32	-2.0	-111.00	304.77	3.65	-107.35
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300005489690	0	32	-2.0	-97.45	319.64	1.95	-95.50
O=C([O-])C1=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=NN1	REAL300005489690	1	32	-2.0	-86.36	320.24	1.76	-84.60
O=C([O-])C1=NNC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300005489726	0	24	-2.0	-98.95	258.87	1.68	-97.27
O=C([O-])C1=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=NN1	REAL300005489726	1	24	-2.0	-88.44	259.48	1.48	-86.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300005489775	0	35	-2.0	-125.71	322.50	4.43	-121.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300005489775	1	35	-2.0	-117.07	323.11	4.23	-112.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2)=N1	REAL300005489776	0	38	-2.0	-123.37	332.02	5.57	-117.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2)=N1	REAL300005489776	1	38	-2.0	-114.81	332.63	5.37	-109.44
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005489815	1	38	-2.0	-117.91	341.70	2.88	-115.03
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300005489918	1	32	-2.0	-99.91	304.02	4.11	-95.80
O=C([O-])C1=NNC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300005489922	0	35	-2.0	-123.91	327.65	5.19	-118.72
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=NN1	REAL300005489922	1	35	-2.0	-116.87	328.26	5.02	-111.85
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300005489929	0	36	-2.0	-121.05	327.23	3.08	-117.97
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)C=C1	REAL300005489929	1	36	-2.0	-112.58	327.83	2.88	-109.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CO1	REAL300005489946	1	29	-2.0	-106.59	288.95	-1.69	-108.28
O=C([O-])C1=NNC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300005490011	0	33	-2.0	-105.78	301.38	7.00	-98.78
O=C([O-])C1=NNC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300005490011	1	33	-2.0	-105.76	301.43	6.97	-98.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300005490063	0	28	-2.0	-90.38	272.71	1.20	-89.18
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300005490063	1	28	-2.0	-90.30	272.78	1.22	-89.08
O=C([O-])C1=NNC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300005490313	1	33	-2.0	-95.60	292.00	2.61	-92.99
O=C([O-])C1=NNC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300005490510	0	25	-2.0	-109.40	267.57	5.02	-104.38
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=NN1	REAL300005490510	1	25	-2.0	-99.29	268.18	4.83	-94.46
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005490724	0	33	-2.0	-99.40	301.99	2.20	-97.20
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C([O-])C(F)=C3)CCC2=C1	REAL300005492787	1	39	-2.0	-98.35	339.25	4.81	-93.54
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300005492857	0	39	-2.0	-93.12	336.92	2.81	-90.31
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300005492857	1	39	-2.0	-93.13	336.97	2.83	-90.30
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)CCC2=C1	REAL300005492933	1	44	-2.0	-94.24	372.53	4.22	-90.02
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CN=CC([O-])=C3)CCC2=C1	REAL300005492951	1	38	-2.0	-99.20	328.06	2.91	-96.29
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCC2=C1	REAL300005493060	1	44	-2.0	-113.55	373.36	7.00	-106.55
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCC2=C1	REAL300005493298	0	39	-2.0	-94.10	355.25	5.37	-88.73
COC1=C(C(=O)NC2CCC3=CC(C(=O)[O-])=CC=C3NC2=O)NC(=O)[N-]C1=O	REAL300005493317	1	42	-2.0	-96.07	361.40	0.45	-95.62
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL300005493393	0	42	-2.0	-100.81	358.22	3.60	-97.21
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL300005493393	1	42	-2.0	-100.80	358.28	3.61	-97.19
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C([O-])C(Cl)=C3)CCC2=C1	REAL300005493422	0	39	-2.0	-94.53	349.05	5.29	-89.24
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300005493554	0	42	-2.0	-88.50	368.82	3.39	-85.11
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300005493554	1	42	-2.0	-88.50	368.89	3.40	-85.10
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=C[N-]N=CC3=O)CCC2=C1	REAL300005493738	0	37	-2.0	-86.51	320.27	3.36	-83.15
COCC1=NC=C(C(=O)NC2CCC3=CC(C(=O)[O-])=CC=C3NC2=O)C(=O)[N-]1	REAL300005493761	1	44	-2.0	-93.69	374.38	1.87	-91.82
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCC2=C1	REAL300005493797	1	47	-2.0	-94.20	387.85	5.06	-89.14
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494682	0	30	-2.0	-82.96	290.10	3.82	-79.14
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494682	1	30	-2.0	-82.96	290.10	3.82	-79.14
O=C([O-])COC1=CC=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494683	0	34	-2.0	-87.18	321.38	4.15	-83.03
O=C([O-])COC1=CC=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494683	1	34	-2.0	-87.18	321.38	4.15	-83.03
O=C([O-])C1=CC=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494684	0	30	-2.0	-89.36	290.31	3.90	-85.46
O=C([O-])C1=CC=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494684	1	30	-2.0	-89.36	290.31	3.90	-85.46
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)S1	REAL300005494685	0	27	-2.0	-84.67	284.39	2.97	-81.70
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)S1	REAL300005494685	1	27	-2.0	-84.67	284.39	2.97	-81.70
O=C([O-])C1=CC=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=N1	REAL300005494686	0	29	-2.0	-100.77	288.21	2.08	-98.69
O=C([O-])C1=CC=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=N1	REAL300005494686	1	29	-2.0	-100.77	288.21	2.08	-98.69
O=C([O-])C1=CC=C(CCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494687	0	36	-2.0	-86.78	336.37	5.36	-81.42
O=C([O-])C1=CC=C(CCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494687	1	36	-2.0	-86.78	336.37	5.36	-81.42
O=C([O-])C1=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CC=N1	REAL300005494688	0	29	-2.0	-89.11	286.18	2.04	-87.07
O=C([O-])C1=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CC=N1	REAL300005494688	1	29	-2.0	-89.11	286.18	2.04	-87.07
O=C([O-])C1=CC=C(C=CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494689	0	34	-2.0	-85.40	324.82	5.07	-80.33
O=C([O-])C1=CC=C(C=CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494689	1	34	-2.0	-85.40	324.82	5.07	-80.33
O=C([O-])C1=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CC([N+](=O)[O-])=C1	REAL300005494690	0	32	-2.0	-78.33	318.46	4.53	-73.80
O=C([O-])C1=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CC([N+](=O)[O-])=C1	REAL300005494690	1	32	-2.0	-78.33	318.46	4.53	-73.80
O=C([O-])C1=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CC([N+](=O)[O-])=C1	REAL300005494691	0	32	-2.0	-78.33	318.46	4.53	-73.80
O=C([O-])C1=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CC([N+](=O)[O-])=C1	REAL300005494691	1	32	-2.0	-78.33	318.46	4.53	-73.80
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)O1	REAL300005494692	0	27	-2.0	-88.21	276.73	2.27	-85.94
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)O1	REAL300005494692	1	27	-2.0	-88.21	276.73	2.27	-85.94
O=C([O-])C1=CC=CC=C1CCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494693	0	36	-2.0	-97.23	327.62	5.02	-92.21
O=C([O-])C1=CC=CC=C1CCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494693	1	36	-2.0	-97.23	327.62	5.02	-92.21
O=C([O-])C1=CC(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CC=C1	REAL300005494694	0	33	-2.0	-93.82	314.98	4.55	-89.27
O=C([O-])C1=CC(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CC=C1	REAL300005494694	1	33	-2.0	-93.82	314.98	4.55	-89.27
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1	REAL300005494695	0	27	-2.0	-97.96	262.91	2.47	-95.49
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494695	1	27	-2.0	-97.96	262.91	2.47	-95.49
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1	REAL300005494696	0	27	-2.0	-97.96	262.91	2.47	-95.49
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494696	1	27	-2.0	-97.96	262.91	2.47	-95.49
O=C([O-])C1CCCC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C1	REAL300005494697	0	36	-2.0	-90.03	316.42	4.11	-85.92
O=C([O-])C1CCCC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494697	1	36	-2.0	-90.03	316.42	4.11	-85.92
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494698	0	29	-2.0	-85.02	285.97	2.02	-83.00
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494698	1	29	-2.0	-85.02	285.97	2.02	-83.00
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494699	0	29	-2.0	-82.51	287.70	2.15	-80.36
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494699	1	29	-2.0	-82.51	287.70	2.15	-80.36
CC(C)(CC(=O)[O-])CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494700	0	35	-2.0	-84.40	299.46	3.30	-81.10
CC(C)(CC(=O)[O-])CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494700	1	35	-2.0	-84.40	299.46	3.30	-81.10
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300005494701	0	30	-2.0	-81.00	294.61	3.88	-77.12
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300005494701	1	30	-2.0	-81.00	294.61	3.88	-77.12
O=C([O-])C1=CN=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494702	0	28	-2.0	-81.53	283.08	0.21	-81.32
O=C([O-])C1=CN=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494702	1	28	-2.0	-81.53	283.08	0.21	-81.32
O=C(NCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005494703	0	36	-2.0	-84.01	314.90	4.02	-79.99
O=C([O-])[C@H]1CC[C@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494703	1	36	-2.0	-84.01	314.90	4.02	-79.99
O=C([O-])C1CCC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1	REAL300005494704	0	36	-2.0	-100.24	309.89	3.96	-96.28
O=C([O-])C1CCC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494704	1	36	-2.0	-100.24	309.89	3.96	-96.28
O=C([O-])C1=CC=C(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494705	0	33	-2.0	-90.51	314.75	4.48	-86.03
O=C([O-])C1=CC=C(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494705	1	33	-2.0	-90.51	314.75	4.48	-86.03
O=C([O-])C1=CN(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N=N1	REAL300005494706	0	29	-2.0	-93.76	291.92	0.46	-93.30
O=C([O-])C1=CN(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N=N1	REAL300005494706	1	29	-2.0	-93.76	291.92	0.46	-93.30
CC1=NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CC=C1C(=O)[O-]	REAL300005494707	0	32	-2.0	-81.55	303.97	2.63	-78.92
CC1=NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CC=C1C(=O)[O-]	REAL300005494707	1	32	-2.0	-81.55	303.97	2.63	-78.92
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494708	0	30	-2.0	-82.96	290.10	3.82	-79.14
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494708	1	30	-2.0	-82.96	290.10	3.82	-79.14
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C1	REAL300005494709	0	33	-2.0	-91.22	297.48	3.40	-87.82
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494709	1	33	-2.0	-91.22	297.48	3.40	-87.82
O=C([O-])CC1=CC=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494710	0	33	-2.0	-89.06	312.29	4.57	-84.49
O=C([O-])CC1=CC=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494710	1	33	-2.0	-89.06	312.29	4.57	-84.49
O=C([O-])CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=CO1	REAL300005494711	0	30	-2.0	-96.39	292.73	2.79	-93.60
O=C([O-])CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=CO1	REAL300005494711	1	30	-2.0	-96.39	292.73	2.79	-93.60
CC1=COC(CC(=O)[O-])=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494712	0	33	-2.0	-101.57	319.39	3.35	-98.22
CC1=COC(CC(=O)[O-])=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494712	1	33	-2.0	-101.57	319.39	3.35	-98.22
O=C([O-])C1=CC=NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494713	0	29	-2.0	-87.33	287.69	2.10	-85.23
O=C([O-])C1=CC=NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494713	1	29	-2.0	-87.33	287.69	2.10	-85.23
O=C([O-])C12CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)(C1)C2	REAL300005494714	0	31	-2.0	-84.19	293.34	3.37	-80.82
O=C([O-])C12CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)(C1)C2	REAL300005494714	1	31	-2.0	-84.19	293.34	3.37	-80.82
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CCC1	REAL300005494715	0	30	-2.0	-93.96	275.15	2.74	-91.22
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CCC1	REAL300005494715	1	30	-2.0	-93.96	275.15	2.74	-91.22
CC(C)(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494716	0	29	-2.0	-93.55	269.98	3.01	-90.54
CC(C)(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494716	1	29	-2.0	-93.55	269.98	3.01	-90.54
O=C([O-])C1CCC(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1	REAL300005494717	0	39	-2.0	-87.88	327.97	4.63	-83.25
O=C([O-])C1CCC(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494717	1	39	-2.0	-87.88	327.97	4.63	-83.25
O=C([O-])C12CCC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)(CC1)C2	REAL300005494718	0	37	-2.0	-86.32	324.27	4.26	-82.06
O=C([O-])C12CCC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)(CC1)C2	REAL300005494718	1	37	-2.0	-86.32	324.27	4.26	-82.06
O=C([O-])C12CCC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)(CC1)CC2	REAL300005494719	0	40	-2.0	-83.49	333.86	4.78	-78.71
O=C([O-])C12CCC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)(CC1)CC2	REAL300005494719	1	40	-2.0	-83.49	333.86	4.78	-78.71
CC(C)(CC(=O)[O-])CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494720	0	35	-2.0	-84.40	299.46	3.30	-81.10
CC(C)(CC(=O)[O-])CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494720	1	35	-2.0	-84.40	299.46	3.30	-81.10
O=C([O-])CCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494721	0	29	-2.0	-89.31	276.90	2.40	-86.91
O=C([O-])CCCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494721	1	29	-2.0	-89.31	276.90	2.40	-86.91
CC(CC(=O)[O-])CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494722	0	32	-2.0	-87.25	289.70	2.94	-84.31
CC(CC(=O)[O-])CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494722	1	32	-2.0	-87.25	289.70	2.94	-84.31
O=C([O-])C1=C2N=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N2N=C1	REAL300005494723	0	32	-2.0	-100.47	312.16	3.19	-97.28
O=C([O-])C1=C2N=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N2N=C1	REAL300005494723	1	32	-2.0	-100.47	312.16	3.19	-97.28
O=C([O-])CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)NC2=CC=CC=C21	REAL300005494724	0	37	-2.0	-103.48	342.25	4.52	-98.96
O=C([O-])CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)NC2=CC=CC=C21	REAL300005494724	1	37	-2.0	-103.48	342.25	4.52	-98.96
O=C([O-])C1=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=NO1	REAL300005494725	0	26	-2.0	-78.74	271.17	1.44	-77.30
O=C([O-])C1=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=NO1	REAL300005494725	1	26	-2.0	-78.74	271.17	1.44	-77.30
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CCCC1	REAL300005494726	0	33	-2.0	-95.45	290.66	3.47	-91.98
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CCCC1	REAL300005494726	1	33	-2.0	-95.45	290.66	3.47	-91.98
CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300005494727	0	30	-2.0	-88.97	293.43	3.02	-85.95
CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300005494727	1	30	-2.0	-88.97	293.43	3.02	-85.95
CC1=C(C(=O)[O-])OC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494728	0	30	-2.0	-89.67	294.65	2.85	-86.82
CC1=C(C(=O)[O-])OC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494728	1	30	-2.0	-89.67	294.65	2.85	-86.82
O=C([O-])C1=CN(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494729	0	30	-2.0	-90.76	297.04	2.02	-88.74
O=C([O-])C1=CN(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494729	1	30	-2.0	-90.76	297.04	2.02	-88.74
O=C([O-])C=CC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)O1	REAL300005494730	0	31	-2.0	-91.70	309.65	3.39	-88.31
O=C([O-])C=CC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)O1	REAL300005494730	1	31	-2.0	-91.70	309.65	3.39	-88.31
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC2(CCC2)C1	REAL300005494731	0	37	-2.0	-100.89	321.23	4.50	-96.39
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC2(CCC2)C1	REAL300005494731	1	37	-2.0	-100.89	321.23	4.50	-96.39
O=C([O-])COC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494732	0	34	-2.0	-82.68	321.10	4.08	-78.60
O=C([O-])COC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494732	1	34	-2.0	-82.68	321.10	4.08	-78.60
O=C([O-])CSCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494733	0	30	-2.0	-82.65	299.93	2.99	-79.66
O=C([O-])CSCCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494733	1	30	-2.0	-82.65	299.93	2.99	-79.66
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494734	0	29	-2.0	-82.51	287.70	2.15	-80.36
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300005494734	1	29	-2.0	-82.51	287.70	2.15	-80.36
O=C([O-])COCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494735	0	27	-2.0	-91.44	269.23	1.73	-89.71
O=C([O-])COCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494735	1	27	-2.0	-91.44	269.23	1.73	-89.71
CN1N=C(C(=O)[O-])C=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494736	0	30	-2.0	-89.95	292.55	1.47	-88.48
CN1N=C(C(=O)[O-])C=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494736	1	30	-2.0	-89.95	292.55	1.47	-88.48
C[C@@H]1C[C@H](C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)O[C@H]1C(=O)[O-]	REAL300005494737	0	34	-2.0	-90.11	312.64	3.41	-86.70
C[C@@H]1C[C@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)O[C@H]1C(=O)[O-]	REAL300005494737	1	34	-2.0	-90.11	312.64	3.41	-86.70
CC(C)(CCC(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494738	0	35	-2.0	-88.83	308.27	3.43	-85.40
CC(C)(CCC(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494738	1	35	-2.0	-88.83	308.27	3.43	-85.40
O=C([O-])CC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494739	0	33	-2.0	-85.64	312.29	4.58	-81.06
O=C([O-])CC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494739	1	33	-2.0	-85.64	312.29	4.58	-81.06
O=C([O-])C=CC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494740	0	34	-2.0	-83.42	322.38	5.16	-78.26
O=C([O-])C=CC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494740	1	34	-2.0	-83.42	322.38	5.16	-78.26
O=C([O-])C1=COC(C=CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494741	0	31	-2.0	-83.69	309.37	3.33	-80.36
O=C([O-])C1=COC(C=CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494741	1	31	-2.0	-83.69	309.37	3.33	-80.36
O=C([O-])CCC1=CC=CC=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494742	0	36	-2.0	-101.87	325.08	5.34	-96.53
O=C([O-])CCC1=CC=CC=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494742	1	36	-2.0	-101.87	325.08	5.34	-96.53
O=C([O-])C1=C(COCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)OC=N1	REAL300005494743	0	33	-2.0	-99.07	322.86	-0.46	-99.53
O=C([O-])C1=C(COCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)OC=N1	REAL300005494743	1	33	-2.0	-99.07	322.86	-0.46	-99.53
O=C([O-])C1=CC=C(C=CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)O1	REAL300005494744	0	31	-2.0	-88.52	310.70	3.61	-84.91
O=C([O-])C1=CC=C(C=CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)O1	REAL300005494744	1	31	-2.0	-88.52	310.70	3.61	-84.91
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C1	REAL300005494745	0	33	-2.0	-91.22	297.48	3.40	-87.82
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494745	1	33	-2.0	-91.22	297.48	3.40	-87.82
CC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1C(=O)[O-]	REAL300005494746	0	33	-2.0	-90.11	306.10	4.34	-85.77
CC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1C(=O)[O-]	REAL300005494746	1	33	-2.0	-90.11	306.10	4.34	-85.77
O=C([O-])C1=CN=CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494747	0	29	-2.0	-82.62	285.26	2.01	-80.61
O=C([O-])C1=CN=CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494747	1	29	-2.0	-82.62	285.26	2.01	-80.61
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494748	0	32	-2.0	-87.90	301.85	2.77	-85.13
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494748	1	32	-2.0	-87.90	301.85	2.77	-85.13
O=C([O-])C1=NN(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494749	0	30	-2.0	-105.27	296.15	1.97	-103.30
O=C([O-])C1=NN(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494749	1	30	-2.0	-105.27	296.15	1.97	-103.30
O=C([O-])C1=NN(CCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494750	0	36	-2.0	-103.96	339.78	3.34	-100.62
O=C([O-])C1=NN(CCCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494750	1	36	-2.0	-103.96	339.78	3.34	-100.62
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494751	0	30	-2.0	-102.06	277.88	2.71	-99.35
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494751	1	30	-2.0	-102.06	277.88	2.71	-99.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)O1	REAL300005494752	0	37	-2.0	-92.11	333.62	3.76	-88.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)O1	REAL300005494752	1	37	-2.0	-92.11	333.62	3.76	-88.35
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C1	REAL300005494753	0	37	-2.0	-86.75	332.91	2.59	-84.16
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494753	1	37	-2.0	-86.75	332.91	2.59	-84.16
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494754	0	30	-2.0	-102.06	277.88	2.71	-99.35
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494754	1	30	-2.0	-102.06	277.88	2.71	-99.35
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494755	0	27	-2.0	-100.50	264.89	2.23	-98.27
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494755	1	27	-2.0	-100.50	264.89	2.23	-98.27
CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)OC(C(=O)[O-])=C1	REAL300005494756	0	30	-2.0	-89.71	294.33	2.89	-86.82
CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)OC(C(=O)[O-])=C1	REAL300005494756	1	30	-2.0	-89.71	294.33	2.89	-86.82
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494757	0	38	-2.0	-113.06	313.42	5.30	-107.76
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494757	1	38	-2.0	-113.06	313.42	5.30	-107.76
CCC(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494758	0	29	-2.0	-93.94	275.09	2.33	-91.61
CCC(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494758	1	29	-2.0	-93.94	275.09	2.33	-91.61
CC(C)C(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494759	0	32	-2.0	-95.11	291.17	2.88	-92.23
CC(C)C(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494759	1	32	-2.0	-95.11	291.17	2.88	-92.23
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494760	0	36	-2.0	-99.11	303.70	4.66	-94.45
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494760	1	36	-2.0	-99.11	303.70	4.66	-94.45
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494762	0	27	-2.0	-87.09	266.67	2.42	-84.67
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494762	1	27	-2.0	-87.09	266.67	2.42	-84.67
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1C1=CC=CC=C1	REAL300005494763	0	37	-2.0	-100.68	330.25	5.90	-94.78
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1C1=CC=CC=C1	REAL300005494763	1	37	-2.0	-100.68	330.25	5.90	-94.78
O=C([O-])CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)NC2=CC=CC=C21	REAL300005494764	0	37	-2.0	-103.48	342.25	4.52	-98.96
O=C([O-])CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)NC2=CC=CC=C21	REAL300005494764	1	37	-2.0	-103.48	342.25	4.52	-98.96
O=C([O-])C1=CN(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C2=CC=CC=C12	REAL300005494765	0	37	-2.0	-99.13	348.33	6.01	-93.12
O=C([O-])C1=CN(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C2=CC=CC=C12	REAL300005494765	1	37	-2.0	-99.13	348.33	6.01	-93.12
O=C([O-])C1CC12CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C2	REAL300005494766	0	34	-2.0	-91.60	312.88	4.16	-87.44
O=C([O-])C1CC12CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C2	REAL300005494766	1	34	-2.0	-91.60	312.88	4.16	-87.44
O=C(NCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300005494767	0	30	-2.0	-92.42	281.87	2.78	-89.64
O=C([O-])[C@H]1C[C@@H](C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494767	1	30	-2.0	-92.42	281.87	2.78	-89.64
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494768	0	36	-2.0	-104.94	320.00	5.08	-99.86
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494768	1	36	-2.0	-104.94	320.00	5.08	-99.86
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494769	0	33	-2.0	-96.53	306.43	4.59	-91.94
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494769	1	33	-2.0	-96.53	306.43	4.59	-91.94
CC1(C(=O)[O-])CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C1	REAL300005494770	0	33	-2.0	-85.55	294.97	3.05	-82.50
CC1(C(=O)[O-])CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C1	REAL300005494770	1	33	-2.0	-85.55	294.97	3.05	-82.50
O=C([O-])C1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=CS1	REAL300005494771	0	27	-2.0	-101.56	277.17	3.76	-97.80
O=C([O-])C1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=CS1	REAL300005494771	1	27	-2.0	-101.56	277.17	3.76	-97.80
O=C([O-])C1=NNC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494772	0	27	-2.0	-83.97	274.16	0.31	-83.66
O=C([O-])C1=NNC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494772	1	27	-2.0	-83.97	274.16	0.31	-83.66
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494773	0	32	-2.0	-80.62	295.74	2.57	-78.05
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494773	1	32	-2.0	-80.62	295.74	2.57	-78.05
CCCC(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494774	0	32	-2.0	-91.95	291.21	3.09	-88.86
CCCC(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494774	1	32	-2.0	-91.95	291.21	3.09	-88.86
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494775	0	33	-2.0	-83.43	306.11	4.47	-78.96
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494775	1	33	-2.0	-83.43	306.11	4.47	-78.96
O=C([O-])C1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C(Cl)=C1	REAL300005494776	0	30	-2.0	-80.57	302.57	4.31	-76.26
O=C([O-])C1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C(Cl)=C1	REAL300005494776	1	30	-2.0	-80.57	302.57	4.31	-76.26
O=C([O-])C1CC2(C1)CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C2	REAL300005494777	0	37	-2.0	-85.31	331.06	4.65	-80.66
O=C([O-])C1CC2(C1)CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C2	REAL300005494777	1	37	-2.0	-85.31	331.06	4.65	-80.66
COC1=CC(C(=O)[O-])=NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494778	0	33	-2.0	-96.81	318.15	1.47	-95.34
COC1=CC(C(=O)[O-])=NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494778	1	33	-2.0	-96.81	318.15	1.47	-95.34
CN1C(C(=O)[O-])=CC=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494779	0	31	-2.0	-82.74	292.70	3.01	-79.73
CN1C(C(=O)[O-])=CC=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494779	1	31	-2.0	-82.74	292.70	3.01	-79.73
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC=CC1	REAL300005494780	0	31	-2.0	-99.83	286.78	3.41	-96.42
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC=CC1	REAL300005494780	1	31	-2.0	-99.83	286.78	3.41	-96.42
O=C([O-])CCC1=CC=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494781	0	36	-2.0	-82.62	333.88	5.45	-77.17
O=C([O-])CCC1=CC=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494781	1	36	-2.0	-82.62	333.88	5.45	-77.17
CC1=NNC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1C(=O)[O-]	REAL300005494782	0	30	-2.0	-93.51	285.63	1.63	-91.88
CC1=NNC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1C(=O)[O-]	REAL300005494782	1	30	-2.0	-93.51	285.63	1.63	-91.88
O=C([O-])CC1(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC1	REAL300005494783	0	33	-2.0	-96.04	301.20	3.55	-92.49
O=C([O-])CC1(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC1	REAL300005494783	1	33	-2.0	-96.04	301.20	3.55	-92.49
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C2	REAL300005494784	0	34	-2.0	-97.67	319.89	5.06	-92.61
O=C([O-])C1C(F)(F)C12CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C2	REAL300005494784	1	34	-2.0	-97.67	319.89	5.06	-92.61
O=C([O-])C1=NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=CS1	REAL300005494785	0	26	-2.0	-93.09	279.97	1.03	-92.06
O=C([O-])C1=NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=CS1	REAL300005494785	1	26	-2.0	-93.09	279.97	1.03	-92.06
COC(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494786	0	27	-2.0	-96.58	266.34	1.60	-94.98
COC(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494786	1	27	-2.0	-96.58	266.34	1.60	-94.98
C[C@]1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300005494787	0	30	-2.0	-106.66	285.85	2.83	-103.83
C[C@]1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300005494787	1	30	-2.0	-106.66	285.85	2.83	-103.83
CC1=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005494788	0	30	-2.0	-92.51	300.52	3.65	-88.86
CC1=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C(C(=O)[O-])S1	REAL300005494788	1	30	-2.0	-92.51	300.52	3.65	-88.86
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494789	0	33	-2.0	-86.93	314.03	4.10	-82.83
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494789	1	33	-2.0	-86.93	314.03	4.10	-82.83
O=C([O-])C1=NC=CC=C1CCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494790	0	35	-2.0	-100.23	323.28	3.35	-96.88
O=C([O-])C1=NC=CC=C1CCC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494790	1	35	-2.0	-100.23	323.28	3.35	-96.88
O=C([O-])C12CC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)(C1)OC2	REAL300005494791	0	32	-2.0	-82.76	300.62	1.43	-81.33
O=C([O-])C12CC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)(C1)OC2	REAL300005494791	1	32	-2.0	-82.76	300.62	1.43	-81.33
O=C([O-])C1=CC=C(/C=C/C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494792	0	34	-2.0	-85.71	324.61	5.00	-80.71
O=C([O-])C1=CC=C(/C=C/C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300005494792	1	34	-2.0	-85.71	324.61	5.00	-80.71
CC1CC1(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494793	0	30	-2.0	-98.28	279.22	2.89	-95.39
CC1CC1(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494793	1	30	-2.0	-98.28	279.22	2.89	-95.39
O=C([O-])C1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)CC2(CCC2)C1	REAL300005494794	0	37	-2.0	-100.89	321.23	4.50	-96.39
O=C([O-])C1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)CC2(CCC2)C1	REAL300005494794	1	37	-2.0	-100.89	321.23	4.50	-96.39
CN1N=CC(C(=O)[O-])=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494795	0	30	-2.0	-101.82	296.07	1.23	-100.59
CN1N=CC(C(=O)[O-])=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494795	1	30	-2.0	-101.82	296.07	1.23	-100.59
O=C([O-])C1=CSC2=C1NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C2	REAL300005494796	0	31	-2.0	-92.77	315.26	2.81	-89.96
O=C([O-])C1=CSC2=C1NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C2	REAL300005494796	1	31	-2.0	-92.77	315.26	2.81	-89.96
O=C([O-])C1=CC2=C(C=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)N2)S1	REAL300005494797	0	31	-2.0	-81.21	315.66	3.02	-78.19
O=C([O-])C1=CC2=C(C=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)N2)S1	REAL300005494797	1	31	-2.0	-81.21	315.66	3.02	-78.19
O=C([O-])C1=COC2=C1NC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C2	REAL300005494798	0	31	-2.0	-89.52	306.82	2.03	-87.49
O=C([O-])C1=COC2=C1NC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C2	REAL300005494798	1	31	-2.0	-89.52	306.82	2.03	-87.49
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494799	0	33	-2.0	-86.46	300.45	4.47	-81.99
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494799	1	33	-2.0	-86.46	300.45	4.47	-81.99
O=C([O-])C1=CC=C(C=CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494800	0	33	-2.0	-88.16	320.60	3.29	-84.87
O=C([O-])C1=CC=C(C=CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=N1	REAL300005494800	1	33	-2.0	-88.16	320.60	3.29	-84.87
C=C1CCC1(C(=O)[O-])C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494801	0	31	-2.0	-100.47	291.68	3.25	-97.22
C=C1CCC1(C(=O)[O-])C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494801	1	31	-2.0	-100.47	291.68	3.25	-97.22
O=C([O-])C1=CSC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494802	0	27	-2.0	-86.59	283.31	2.82	-83.77
O=C([O-])C1=CSC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494802	1	27	-2.0	-86.59	283.31	2.82	-83.77
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494803	0	35	-2.0	-116.87	310.40	2.26	-114.61
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494803	1	35	-2.0	-116.87	310.40	2.26	-114.61
O=C([O-])C1=CC=CC2=C(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=CC=C12	REAL300005494804	0	36	-2.0	-84.05	326.31	5.97	-78.08
O=C([O-])C1=CC=CC2=C(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=CC=C12	REAL300005494804	1	36	-2.0	-84.05	326.31	5.97	-78.08
CC(C)[C@]1(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300005494805	0	36	-2.0	-104.47	319.10	3.79	-100.68
CC(C)[C@]1(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300005494805	1	36	-2.0	-104.47	319.10	3.79	-100.68
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494806	0	36	-2.0	-91.15	331.87	4.99	-86.16
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494806	1	36	-2.0	-91.15	331.87	4.99	-86.16
O=C([O-])C1=CSC(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)=C1	REAL300005494807	0	30	-2.0	-91.21	306.32	3.61	-87.60
O=C([O-])C1=CSC(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)=C1	REAL300005494807	1	30	-2.0	-91.21	306.32	3.61	-87.60
O=C([O-])C1=CC=C(CC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C=C1F	REAL300005494808	0	33	-2.0	-91.68	319.51	4.58	-87.10
O=C([O-])C1=CC=C(CC(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)C=C1F	REAL300005494808	1	33	-2.0	-91.68	319.51	4.58	-87.10
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F	REAL300005494809	0	33	-2.0	-105.05	296.95	3.43	-101.62
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300005494809	1	33	-2.0	-105.05	296.95	3.43	-101.62
O=C([O-])C12CCC(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)(CC1)CC2	REAL300005494810	0	40	-2.0	-83.49	333.86	4.78	-78.71
O=C([O-])C12CCC(C(=O)NCC([O-])(C(F)(F)F)C(F)(F)F)(CC1)CC2	REAL300005494810	1	40	-2.0	-83.49	333.86	4.78	-78.71
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005495406	0	48	-2.0	-101.49	386.71	6.37	-95.12
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)C1	REAL300005495694	0	48	-2.0	-105.56	388.85	6.63	-98.93
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300005496142	1	51	-2.0	-110.47	404.39	5.37	-105.10
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C1	REAL300005496143	1	42	-2.0	-87.02	352.70	2.87	-84.15
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300005496397	0	45	-2.0	-103.66	368.66	5.73	-97.93
C=CCC1(C(=O)[O-])CCCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300005496732	1	49	-2.0	-108.07	399.64	7.32	-100.75
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005496956	0	45	-2.0	-95.03	371.53	5.70	-89.33
C=CCC1(C(=O)[O-])CCCN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300005496958	1	51	-2.0	-109.34	408.49	7.48	-101.86
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CCC)C1	REAL300005496961	0	51	-2.0	-106.11	410.35	7.41	-98.70
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C1	REAL300005497039	1	51	-2.0	-102.99	397.98	7.09	-95.90
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300005498066	1	38	-2.0	-92.58	306.73	6.66	-85.92
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005498078	1	41	-2.0	-105.76	344.70	8.10	-97.66
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005498183	0	44	-2.0	-93.92	363.77	4.77	-89.15
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005498218	1	43	-2.0	-104.93	350.49	6.25	-98.68
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300005498275	0	54	-2.0	-115.76	419.45	10.39	-105.37
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300005498369	0	48	-2.0	-110.25	391.52	8.96	-101.29
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005498412	1	43	-2.0	-115.14	339.98	9.64	-105.50
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300005498571	0	48	-2.0	-119.25	385.44	9.20	-110.05
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])C1	REAL300005498572	0	51	-2.0	-115.77	405.13	9.60	-106.17
C=CCC1(C(=O)[O-])CCCN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300005498648	1	51	-2.0	-107.89	408.60	7.46	-100.43
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005498707	0	38	-2.0	-88.57	324.43	7.29	-81.28
C=CCC1(C(=O)[O-])CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300005498818	0	41	-2.0	-103.23	330.74	6.03	-97.20
C=CCC1(C(=O)[O-])CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300005498818	1	41	-2.0	-103.24	330.80	6.04	-97.20
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005498853	0	38	-2.0	-89.42	316.47	7.13	-82.29
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)C1	REAL300005498857	1	45	-2.0	-92.91	369.02	8.26	-84.65
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C1	REAL300005498866	0	49	-2.0	-114.52	390.16	7.85	-106.67
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C1	REAL300005498890	1	42	-2.0	-88.30	350.29	2.48	-85.82
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005499053	0	41	-2.0	-83.29	334.16	6.11	-77.18
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005499053	1	41	-2.0	-83.28	334.21	6.12	-77.16
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(COC)[N-]C2=O)C1	REAL300005499383	1	43	-2.0	-107.35	335.41	3.23	-104.12
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005499431	1	46	-2.0	-104.56	366.34	6.80	-97.76
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005499742	0	38	-2.0	-99.05	333.26	8.92	-90.13
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C1	REAL300005500047	0	46	-2.0	-105.51	378.27	6.17	-99.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005501960	0	42	-2.0	-103.14	372.53	5.95	-97.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005502215	0	42	-2.0	-104.17	372.52	6.19	-97.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005502611	1	36	-2.0	-95.47	340.04	2.51	-92.96
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005502841	0	39	-2.0	-102.71	351.05	5.29	-97.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CS1	REAL300005503160	1	43	-2.0	-101.55	384.46	6.87	-94.68
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005503365	0	39	-2.0	-97.43	358.41	5.34	-92.09
CC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005503454	1	45	-2.0	-106.60	384.10	6.65	-99.95
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)S1	REAL300005504495	1	32	-2.0	-97.64	295.67	6.35	-91.29
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)S1	REAL300005504508	1	35	-2.0	-102.57	328.00	7.88	-94.69
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300005504549	0	32	-2.0	-91.82	293.60	4.78	-87.04
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300005504549	1	32	-2.0	-91.85	293.66	4.80	-87.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005504636	0	38	-2.0	-97.99	349.61	4.31	-93.68
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)S1	REAL300005504671	1	37	-2.0	-104.84	335.34	5.82	-99.02
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=CC([O-])=C3)CC2)S1	REAL300005504713	1	31	-2.0	-92.66	282.90	4.42	-88.24
O=C([O-])C1=CC2=C(CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)S1	REAL300005504827	0	39	-2.0	-108.21	354.33	8.23	-99.98
O=C([O-])C1=CC2=C(CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)S1	REAL300005504873	1	37	-2.0	-108.72	327.06	9.30	-99.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=N1	REAL300005505040	0	45	-2.0	-111.60	386.24	9.72	-101.88
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)S1	REAL300005505175	0	32	-2.0	-92.93	310.47	6.86	-86.07
COC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)NC(=O)[N-]C1=O	REAL300005505193	1	35	-2.0	-95.14	324.59	0.87	-94.27
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300005505293	0	35	-2.0	-97.23	315.07	5.55	-91.68
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300005505293	1	35	-2.0	-97.26	315.12	5.56	-91.70
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)S1	REAL300005505333	0	32	-2.0	-93.87	305.47	6.83	-87.04
CCOC1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CC(Cl)=C1[O-]	REAL300005505336	1	39	-2.0	-96.64	355.32	7.83	-88.81
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=N2)C=C1	REAL300005505345	0	43	-2.0	-110.48	377.45	7.47	-103.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CO1	REAL300005505369	1	36	-2.0	-95.95	338.54	2.15	-93.80
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300005505537	0	35	-2.0	-89.38	322.49	5.83	-83.55
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300005505537	1	35	-2.0	-89.41	322.56	5.84	-83.57
O=C([O-])C1=CC2=C(CN(C(=O)C3=C[N-]N=CC3=O)CC2)S1	REAL300005505830	0	30	-2.0	-86.42	278.42	4.79	-81.63
COCC1=NC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(=O)[N-]1	REAL300005505865	1	37	-2.0	-94.38	329.69	3.30	-91.08
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)S1	REAL300005505915	1	40	-2.0	-104.32	351.20	6.37	-97.95
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)S1	REAL300005506235	0	32	-2.0	-98.29	321.33	8.35	-89.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCC(OCC(=O)[O-])CC2)=C1	REAL300005507570	0	48	-2.0	-101.67	396.12	5.07	-96.60
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005507852	0	48	-2.0	-102.66	396.19	5.29	-97.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)O1	REAL300005508284	1	42	-2.0	-100.92	367.17	1.08	-99.84
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005508534	0	45	-2.0	-101.30	374.73	4.39	-96.91
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCC(OCC(=O)[O-])CC2)=CS1	REAL300005508868	1	49	-2.0	-104.79	413.33	5.07	-99.72
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005509092	0	45	-2.0	-96.52	385.57	4.04	-92.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(OCC(=O)[O-])CC1	REAL300005509096	0	51	-2.0	-103.14	417.69	6.08	-97.06
CC1=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005509178	1	51	-2.0	-104.70	399.07	5.87	-98.83
O=C([O-])COC1CCC(NC(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005510211	1	38	-2.0	-98.83	320.54	5.33	-93.50
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005510223	1	41	-2.0	-101.04	350.87	7.86	-93.18
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C=N1	REAL300005510336	0	44	-2.0	-102.56	375.78	3.41	-99.15
O=C([O-])COC1CCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300005510370	1	43	-2.0	-103.24	353.56	4.82	-98.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCC(OCC(=O)[O-])CC2)=N1	REAL300005510523	0	48	-2.0	-110.79	402.84	7.56	-103.23
O=C([O-])COC1CCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005510528	0	45	-2.0	-111.47	381.52	6.61	-104.86
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COC1=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300005510889	1	41	-2.0	-99.18	342.69	0.94	-98.24
O=C([O-])COC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300005510988	0	41	-2.0	-100.42	343.92	3.74	-96.68
O=C([O-])COC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300005510988	1	41	-2.0	-100.41	343.97	3.75	-96.66
O=C([O-])COC1CCC(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005511026	0	38	-2.0	-95.12	330.34	5.82	-89.30
CCOC1=CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005511030	1	45	-2.0	-99.78	381.39	6.86	-92.92
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCC(OCC(=O)[O-])CC3)=N2)C=C1	REAL300005511040	0	49	-2.0	-114.57	404.60	5.83	-108.74
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCC(OCC(=O)[O-])CC2)=CO1	REAL300005511063	1	42	-2.0	-97.95	366.31	1.06	-96.89
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005511226	0	41	-2.0	-91.92	350.09	3.96	-87.96
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005511226	1	41	-2.0	-91.88	350.15	3.97	-87.91
COCC1=NC=C(C(=O)NC2CCC(OCC(=O)[O-])CC2)C(=O)[N-]1	REAL300005511556	1	43	-2.0	-102.19	355.42	2.46	-99.73
O=C([O-])COC1CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300005511605	1	46	-2.0	-103.38	369.32	5.36	-98.02
O=C([O-])COC1CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005511924	0	38	-2.0	-97.48	344.93	7.89	-89.59
CC1=C(CCC(=O)N(C)C2(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005514161	1	48	-2.0	-122.90	381.70	7.40	-115.50
CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C1(C(=O)[O-])CC1	REAL300005514559	1	42	-2.0	-125.75	368.04	7.12	-118.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300005514617	1	40	-2.0	-139.91	345.94	10.32	-129.59
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1(C(=O)[O-])CC1	REAL300005514659	1	42	-2.0	-115.63	368.01	7.15	-108.48
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300005514661	1	45	-2.0	-109.79	379.42	7.83	-101.96
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1(C(=O)[O-])CC1	REAL300005514747	1	42	-2.0	-113.80	360.51	7.04	-106.76
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1(C(=O)[O-])CC1	REAL300005514748	1	42	-2.0	-112.80	361.59	7.06	-105.74
CC1=CC(C(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005514756	0	38	-2.0	-99.12	341.08	5.20	-93.92
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300005514849	1	45	-2.0	-110.48	382.09	7.71	-102.77
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1(C(=O)[O-])CC1	REAL300005514915	0	39	-2.0	-120.70	353.53	6.08	-114.62
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1(C(=O)[O-])CC1	REAL300005514931	1	41	-2.0	-100.36	345.83	3.87	-96.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2(C(=O)[O-])CC2)O1	REAL300005514932	1	32	-2.0	-99.25	292.21	1.34	-97.91
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C3(C(=O)[O-])CC3)=C2)C=C1	REAL300005515021	1	45	-2.0	-133.51	383.01	7.73	-125.78
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C3(C(=O)[O-])CC3)=C2)=C1	REAL300005515046	1	45	-2.0	-133.76	382.99	7.74	-126.02
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1(C(=O)[O-])CC1	REAL300005515134	0	39	-2.0	-111.09	353.53	6.06	-105.03
CN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1(C(=O)[O-])CC1	REAL300005515135	0	42	-2.0	-127.05	379.79	7.09	-119.96
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C2(C(=O)[O-])CC2)=CS1	REAL300005515345	1	39	-2.0	-129.46	336.63	5.62	-123.84
CC1=C(CC(=O)N(C)C2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005515485	1	41	-2.0	-139.19	346.57	5.80	-133.39
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1(C(=O)[O-])CC1	REAL300005515605	1	42	-2.0	-109.90	360.67	7.03	-102.87
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1(C(=O)[O-])CC1	REAL300005515972	0	28	-2.0	-103.02	279.36	6.32	-96.70
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1(C(=O)[O-])CC1	REAL300005516008	1	31	-2.0	-136.76	279.44	6.60	-130.16
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1(C(=O)[O-])CC1	REAL300005516063	0	34	-2.0	-119.35	301.72	3.22	-116.13
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1(C(=O)[O-])CC1	REAL300005516103	1	41	-2.0	-106.07	355.72	5.27	-100.80
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3(C(=O)[O-])CC3)=N2)C=C1	REAL300005516117	0	44	-2.0	-144.82	360.30	8.90	-135.92
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300005516153	0	38	-2.0	-141.12	325.93	7.96	-133.16
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1(C(=O)[O-])CC1	REAL300005516175	0	35	-2.0	-109.96	323.13	4.49	-105.47
CN(C(=O)C1=CN=C(I)C([O-])=C1)C1(C(=O)[O-])CC1	REAL300005516200	0	27	-2.0	-113.14	261.43	4.10	-109.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3(C(=O)[O-])CC3)=N2)=C1	REAL300005516219	0	38	-2.0	-150.09	324.86	7.62	-142.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300005516220	0	41	-2.0	-146.85	326.19	8.19	-138.66
CC1=C(CC(=O)N(C)C2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005516233	1	41	-2.0	-137.77	346.76	5.80	-131.97
CCOC1=CC(C(=O)N(C)C2(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005516281	1	35	-2.0	-110.45	307.55	6.64	-103.81
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1(C(=O)[O-])CC1	REAL300005516284	0	38	-2.0	-146.88	335.07	7.83	-139.05
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3(C(=O)[O-])CC3)=N2)C=C1	REAL300005516287	0	39	-2.0	-144.49	329.58	6.28	-138.21
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2(C(=O)[O-])CC2)=CO1	REAL300005516296	1	32	-2.0	-101.73	288.71	0.94	-100.79
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1(C(=O)[O-])CC1	REAL300005516612	0	28	-2.0	-130.43	275.46	6.48	-123.95
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005518603	1	51	-2.0	-98.18	423.97	4.83	-93.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005518604	1	42	-2.0	-96.65	369.21	2.38	-94.27
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CS1	REAL300005519074	1	49	-2.0	-112.48	410.07	6.83	-105.65
CC1=C(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005519263	1	51	-2.0	-127.21	416.16	7.72	-119.49
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005520163	1	38	-2.0	-100.47	318.22	7.34	-93.13
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005520173	1	41	-2.0	-120.19	352.90	9.15	-111.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300005520257	0	44	-2.0	-104.64	377.91	4.72	-99.92
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005520281	1	43	-2.0	-113.09	355.45	6.18	-106.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)=C1	REAL300005520331	0	54	-2.0	-134.65	432.69	10.54	-124.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)C=C1	REAL300005520332	0	54	-2.0	-133.43	437.10	9.82	-123.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300005520399	0	48	-2.0	-129.19	400.18	9.64	-119.55
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005520404	0	45	-2.0	-130.10	379.09	8.63	-121.47
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005520434	1	43	-2.0	-135.15	351.98	9.56	-125.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)=C1	REAL300005520569	0	48	-2.0	-137.70	397.18	9.28	-128.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300005520570	0	51	-2.0	-135.62	406.71	10.42	-125.20
CC1=C(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005520628	1	51	-2.0	-125.90	416.35	7.72	-118.18
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005520683	0	38	-2.0	-97.53	338.44	7.24	-90.29
COC1=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005520694	1	41	-2.0	-98.39	340.19	2.94	-95.45
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300005520768	0	41	-2.0	-106.16	341.49	5.45	-100.71
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300005520768	1	41	-2.0	-106.14	341.54	5.46	-100.68
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005520798	0	38	-2.0	-98.39	328.02	7.84	-90.55
CCOC1=CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005520802	1	45	-2.0	-103.15	383.52	8.15	-95.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)C=C1	REAL300005520808	0	49	-2.0	-132.97	406.63	7.13	-125.84
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=CO1	REAL300005520823	1	42	-2.0	-102.15	363.84	3.08	-99.07
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005520960	0	41	-2.0	-91.03	347.36	6.05	-84.98
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005520960	1	41	-2.0	-91.01	347.43	6.06	-84.95
COCC1=NC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]1	REAL300005521218	1	43	-2.0	-111.43	357.31	3.84	-107.59
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005521260	1	46	-2.0	-112.47	370.58	6.72	-105.75
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005521500	0	38	-2.0	-116.10	346.97	9.18	-106.92
CC1=C(CCC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005522743	1	51	-2.0	-107.50	410.04	6.44	-101.06
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300005523272	1	43	-2.0	-130.44	368.51	9.25	-121.19
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CCC1	REAL300005523419	1	45	-2.0	-108.56	384.70	6.42	-102.14
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CCC1	REAL300005523420	1	45	-2.0	-113.83	384.43	6.39	-107.44
CC1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005523431	0	41	-2.0	-92.76	365.68	4.58	-88.18
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CCC1	REAL300005523615	0	42	-2.0	-106.82	377.17	5.35	-101.47
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)O1	REAL300005523632	1	44	-2.0	-98.68	378.84	2.70	-95.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)O1	REAL300005523633	1	35	-2.0	-96.82	320.82	0.26	-96.56
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CCC1	REAL300005523861	0	42	-2.0	-112.07	383.47	5.48	-106.59
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCC2)=CS1	REAL300005524115	1	42	-2.0	-112.68	358.34	4.62	-108.06
CC1=C(CC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005524287	1	44	-2.0	-117.49	375.08	4.83	-112.66
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CCC1	REAL300005524416	1	45	-2.0	-101.64	384.88	6.40	-95.24
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCC1	REAL300005524948	1	34	-2.0	-119.77	307.08	7.06	-112.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300005525014	0	37	-2.0	-104.70	330.22	2.63	-102.07
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CCC1	REAL300005525059	1	44	-2.0	-97.71	379.92	4.64	-93.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)=C1	REAL300005525073	0	47	-2.0	-134.47	391.59	7.66	-126.81
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)C=C1	REAL300005525074	0	47	-2.0	-132.93	391.52	7.67	-125.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300005525121	0	41	-2.0	-129.25	359.06	6.77	-122.48
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCC1	REAL300005525125	0	38	-2.0	-131.75	337.74	5.82	-125.93
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O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCC1	REAL300005525156	0	38	-2.0	-97.37	351.18	3.92	-93.45
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1CCC1	REAL300005525186	0	30	-2.0	-101.00	285.21	3.55	-97.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)=C1	REAL300005525218	0	41	-2.0	-137.53	356.08	6.40	-131.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300005525219	0	44	-2.0	-135.84	365.45	7.55	-128.29
CC1=C(CC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005525244	1	44	-2.0	-115.50	375.26	4.83	-110.67
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCC1	REAL300005525269	0	31	-2.0	-97.95	285.63	5.00	-92.95
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CC(Cl)=C1[O-]	REAL300005525327	1	38	-2.0	-103.31	330.48	5.97	-97.34
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCC1	REAL300005525330	0	41	-2.0	-138.50	361.23	7.17	-131.33
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)C=C1	REAL300005525334	0	42	-2.0	-132.64	360.81	5.05	-127.59
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CO1	REAL300005525344	1	35	-2.0	-103.94	315.75	0.10	-103.84
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300005525438	0	34	-2.0	-91.15	303.73	3.14	-88.01
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300005525438	1	34	-2.0	-91.13	303.80	3.15	-87.98
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCC1	REAL300005525637	1	39	-2.0	-112.42	325.64	4.58	-107.84
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC1	REAL300005525790	0	31	-2.0	-115.75	301.15	7.09	-108.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)O1	REAL300005526940	1	48	-2.0	-97.93	389.87	2.30	-95.63
CC1(C)CC(NC(=O)C2=CC=C([O-])C(F)=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528238	1	44	-2.0	-103.93	343.23	6.56	-97.37
CC1(C)CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])CC(C)(C)O1	REAL300005528250	1	47	-2.0	-126.04	372.43	8.50	-117.54
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CC(C)(C)O1	REAL300005528292	0	44	-2.0	-100.69	340.68	4.61	-96.08
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CC(C)(C)O1	REAL300005528292	1	44	-2.0	-100.72	340.74	4.62	-96.10
CC1(C)CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528348	0	50	-2.0	-106.79	398.48	4.60	-102.19
CC1(C)CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])CC(C)(C)O1	REAL300005528369	1	49	-2.0	-113.24	374.69	5.83	-107.41
CC1(C)CC(NC(=O)C2=CN=CC([O-])=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528394	1	43	-2.0	-110.20	332.07	4.68	-105.52
CC1(C)CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])CC(C)(C)O1	REAL300005528498	1	49	-2.0	-140.57	377.08	8.26	-132.31
CC1(C)CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528726	0	44	-2.0	-100.65	359.18	7.04	-93.61
COC1=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)NC(=O)[N-]C1=O	REAL300005528739	1	47	-2.0	-103.07	364.73	1.70	-101.37
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CC(C)(C)O1	REAL300005528810	0	47	-2.0	-109.84	362.20	5.34	-104.50
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CC(C)(C)O1	REAL300005528810	1	47	-2.0	-109.86	362.25	5.34	-104.52
CC1(C)CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])CC(C)(C)O1	REAL300005528839	0	44	-2.0	-102.06	353.02	7.04	-95.02
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=CC(Cl)=C1[O-]	REAL300005528842	1	51	-2.0	-106.18	404.10	8.04	-98.14
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=CO1	REAL300005528863	1	48	-2.0	-107.24	389.02	2.26	-104.98
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC(C)(C)O1	REAL300005528986	0	47	-2.0	-93.43	372.80	5.15	-88.28
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC(C)(C)O1	REAL300005528986	1	47	-2.0	-93.45	372.87	5.16	-88.29
CC1(C)CC(NC(=O)C2=C[N-]N=CC2=O)(C(=O)[O-])CC(C)(C)O1	REAL300005529186	0	42	-2.0	-103.95	323.78	5.04	-98.91
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C(=O)[N-]1	REAL300005529208	1	49	-2.0	-113.17	376.42	3.62	-109.55
CC1(C)CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])CC(C)(C)O1	REAL300005529245	1	52	-2.0	-113.44	390.43	6.38	-107.06
CC1(C)CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])CC(C)(C)O1	REAL300005529457	0	44	-2.0	-121.36	366.49	8.53	-112.83
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005531371	0	48	-2.0	-104.65	380.73	5.84	-98.81
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)CC1	REAL300005531670	0	48	-2.0	-107.23	383.83	6.06	-101.17
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)CC1	REAL300005532128	1	51	-2.0	-92.36	405.20	4.77	-87.59
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)CC1	REAL300005532129	1	42	-2.0	-91.44	349.75	2.35	-89.09
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005532390	0	45	-2.0	-105.59	362.36	5.16	-100.43
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CC1	REAL300005532730	1	49	-2.0	-104.13	396.76	6.84	-97.29
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300005532960	0	45	-2.0	-97.47	365.74	5.24	-92.23
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)CC1	REAL300005532962	1	51	-2.0	-102.66	404.30	6.94	-95.72
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CCC)CC1	REAL300005532965	0	51	-2.0	-107.77	405.33	6.86	-100.91
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CC1	REAL300005533048	1	51	-2.0	-110.04	392.98	6.50	-103.54
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005534106	1	38	-2.0	-94.95	305.12	6.23	-88.72
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005534118	1	41	-2.0	-106.40	339.46	7.57	-98.83
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300005534224	0	44	-2.0	-95.71	359.85	4.22	-91.49
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300005534259	1	43	-2.0	-108.13	345.20	5.72	-102.41
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])CC1	REAL300005534317	0	54	-2.0	-115.91	419.94	9.99	-105.92
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])CC1	REAL300005534318	0	54	-2.0	-114.50	419.93	9.99	-104.51
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])CC1	REAL300005534414	0	48	-2.0	-110.38	386.60	9.06	-101.32
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005534419	0	45	-2.0	-114.01	366.15	8.14	-105.87
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300005534461	1	43	-2.0	-113.77	337.13	9.17	-104.60
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])CC1	REAL300005534626	0	48	-2.0	-118.88	384.79	8.76	-110.12
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])CC1	REAL300005534627	0	51	-2.0	-115.84	397.97	9.71	-106.13
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)CC1	REAL300005534704	1	51	-2.0	-100.93	404.45	6.93	-94.00
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300005534766	0	38	-2.0	-92.38	324.85	6.88	-85.50
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)CC1	REAL300005534783	1	41	-2.0	-91.59	334.10	0.75	-90.84
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300005534882	0	41	-2.0	-95.82	324.90	5.45	-90.37
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300005534882	1	41	-2.0	-95.87	324.96	5.46	-90.41
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005534919	0	38	-2.0	-91.37	314.47	6.69	-84.68
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)CC1	REAL300005534923	1	45	-2.0	-96.63	369.70	7.86	-88.77
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])CC1	REAL300005534933	0	49	-2.0	-114.51	389.22	7.38	-107.13
C=CCC1(C(=O)[O-])CCN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)CC1	REAL300005534957	1	42	-2.0	-93.04	352.13	2.16	-90.88
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005535123	0	41	-2.0	-85.80	332.60	5.69	-80.11
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005535123	1	41	-2.0	-85.75	332.67	5.70	-80.05
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(COC)[N-]C2=O)CC1	REAL300005535458	1	43	-2.0	-93.98	340.83	3.19	-90.79
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300005535506	1	46	-2.0	-107.79	361.06	6.27	-101.52
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005535828	0	38	-2.0	-100.38	330.89	8.47	-91.91
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537386	1	38	-2.0	-93.53	334.23	7.73	-85.80
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537442	0	38	-2.0	-87.34	329.22	6.07	-81.27
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537442	1	38	-2.0	-87.34	329.28	6.08	-81.26
O=C([O-])C1CN(C(=O)C2=CN=CC([O-])=C2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537499	1	37	-2.0	-94.95	322.89	5.76	-89.19
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537747	0	41	-2.0	-95.65	350.72	6.85	-88.80
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537747	1	41	-2.0	-95.66	350.77	6.87	-88.79
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC2=C1C=CC=C2C(F)(F)F	REAL300005537763	0	38	-2.0	-90.71	344.03	8.21	-82.50
O=C([O-])C1CN(C(=O)C2=C[N-]N=CC2=O)CC2=C1C=CC=C2C(F)(F)F	REAL300005537949	0	36	-2.0	-88.40	306.65	6.05	-82.35
CC1=C(CCC(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005539361	1	54	-2.0	-100.22	431.89	7.11	-93.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(CCC(=O)[O-])C2)=C1	REAL300005539714	0	44	-2.0	-99.31	374.18	4.88	-94.43
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CCC(=O)[O-])C1	REAL300005540026	0	44	-2.0	-100.42	374.13	5.16	-95.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC(CCC(=O)[O-])C2)C=C1	REAL300005540076	1	46	-2.0	-103.58	396.16	10.06	-93.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CCC(=O)[O-])C2)O1	REAL300005540528	1	47	-2.0	-90.21	400.49	3.35	-86.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CCC(=O)[O-])C2)O1	REAL300005540529	1	38	-2.0	-89.98	345.09	0.95	-89.03
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(CCC(=O)[O-])C2)=C1	REAL300005540760	0	48	-2.0	-104.83	408.90	3.11	-101.72
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CCC(=O)[O-])C1	REAL300005540806	0	41	-2.0	-99.08	352.67	4.26	-94.82
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC(CCC(=O)[O-])C2)=CS1	REAL300005541180	1	45	-2.0	-99.34	386.84	5.35	-93.99
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC(CCC(=O)[O-])C1	REAL300005541415	0	41	-2.0	-93.34	359.20	4.27	-89.07
CC1=C(CC(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005541420	1	47	-2.0	-103.46	397.69	5.55	-97.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CCC(=O)[O-])C1	REAL300005541424	0	47	-2.0	-100.88	395.63	5.94	-94.94
CC1=C(C(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005541495	1	47	-2.0	-92.85	376.69	5.75	-87.10
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CC(CCC(=O)[O-])C1	REAL300005542245	0	47	-2.0	-104.31	398.55	6.51	-97.80
O=C([O-])CCC1CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005542440	1	37	-2.0	-99.22	328.93	7.66	-91.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC(CCC(=O)[O-])C2)C=N1	REAL300005542539	0	40	-2.0	-94.31	353.69	3.29	-91.02
O=C([O-])CCC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005542570	1	39	-2.0	-91.99	331.59	4.68	-87.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC(CCC(=O)[O-])C3)=N2)=C1	REAL300005542624	0	50	-2.0	-110.55	413.30	8.33	-102.22
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CCC(=O)[O-])C3)=N2)C=C1	REAL300005542625	0	50	-2.0	-109.46	413.23	8.33	-101.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC(CCC(=O)[O-])C2)=N1	REAL300005542701	0	44	-2.0	-106.90	380.76	7.43	-99.47
O=C([O-])CCC1CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005542706	0	41	-2.0	-107.73	359.45	6.48	-101.25
O=C([O-])CCC1CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005542730	1	39	-2.0	-108.74	332.71	7.29	-101.45
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O=C([O-])CCC1CC(NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005542799	0	33	-2.0	-89.50	314.16	4.30	-85.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC(CCC(=O)[O-])C3)=N2)=C1	REAL300005542862	0	44	-2.0	-113.76	377.79	7.06	-106.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC(CCC(=O)[O-])C2)=N1	REAL300005542863	0	47	-2.0	-111.99	394.28	8.15	-103.84
CC1=C(CC(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005542923	1	47	-2.0	-104.82	397.10	5.45	-99.37
O=C([O-])CCC1CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005542966	0	34	-2.0	-89.77	314.61	5.70	-84.07
COC1=C(C(=O)NC2CC(CCC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005542974	1	37	-2.0	-92.53	320.45	0.79	-91.74
CCOC1=CC(C(=O)NC2CC(CCC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005543081	1	41	-2.0	-93.29	359.31	6.72	-86.57
O=C([O-])CCC1CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005543085	0	44	-2.0	-113.30	382.95	7.85	-105.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CCC(=O)[O-])C3)=N2)C=C1	REAL300005543093	0	45	-2.0	-109.53	382.51	5.71	-103.82
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC(CCC(=O)[O-])C2)=CO1	REAL300005543113	1	38	-2.0	-95.08	344.37	0.89	-94.19
O=C([O-])CCC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005543244	0	37	-2.0	-85.55	328.12	3.79	-81.76
O=C([O-])CCC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005543244	1	37	-2.0	-85.54	328.18	3.79	-81.75
COCC1=NC=C(C(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]1	REAL300005543516	1	39	-2.0	-92.98	333.56	2.30	-90.68
O=C([O-])CCC1CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005543555	1	42	-2.0	-91.90	347.35	5.23	-86.67
O=C([O-])CCC1CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005543816	0	34	-2.0	-95.56	322.87	7.75	-87.81
CC1=C(C(=O)NC2CC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005544077	0	42	-2.0	-96.07	356.92	4.83	-91.24
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300005545131	1	49	-2.0	-116.61	401.61	10.57	-106.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)O1	REAL300005545492	1	50	-2.0	-97.83	405.91	4.21	-93.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)O1	REAL300005545493	1	41	-2.0	-96.90	353.24	1.71	-95.19
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCCCC2)=CS1	REAL300005545980	1	48	-2.0	-119.61	391.94	5.86	-113.75
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005546178	1	50	-2.0	-116.77	403.99	6.23	-110.54
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300005547058	1	40	-2.0	-119.81	335.99	8.44	-111.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C=N1	REAL300005547143	0	43	-2.0	-105.89	363.75	4.04	-101.85
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300005547164	1	42	-2.0	-112.67	338.79	5.42	-107.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300005547216	0	53	-2.0	-135.26	421.43	9.09	-126.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300005547217	0	53	-2.0	-134.23	423.27	9.07	-125.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300005547279	0	47	-2.0	-130.79	390.83	8.18	-122.61
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300005547284	0	44	-2.0	-131.45	369.49	7.22	-124.23
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300005547308	1	42	-2.0	-137.07	342.65	8.07	-129.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300005547434	0	47	-2.0	-137.89	384.97	7.78	-130.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300005547435	0	50	-2.0	-136.80	397.36	8.93	-127.87
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005547485	1	50	-2.0	-129.43	401.43	6.07	-123.36
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300005547529	0	37	-2.0	-98.39	322.61	6.52	-91.87
COC1=C(C(=O)NC(C(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300005547536	1	40	-2.0	-99.42	330.67	1.56	-97.86
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCC1	REAL300005547629	0	37	-2.0	-98.97	316.39	6.45	-92.52
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300005547632	1	44	-2.0	-104.58	363.76	7.30	-97.28
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300005547640	0	48	-2.0	-133.84	392.56	6.44	-127.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=CO1	REAL300005547654	1	41	-2.0	-103.44	352.36	1.69	-101.75
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300005547781	0	40	-2.0	-92.60	338.06	4.57	-88.03
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300005547781	1	40	-2.0	-92.59	338.12	4.58	-88.01
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]1	REAL300005548027	1	42	-2.0	-111.60	340.62	3.07	-108.53
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCC1	REAL300005548064	1	45	-2.0	-114.32	357.39	5.98	-108.34
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300005548291	0	37	-2.0	-117.41	327.91	8.31	-109.10
CC1=C(CCC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005548982	1	51	-2.0	-107.50	410.04	6.44	-101.06
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300005549511	1	43	-2.0	-130.44	368.51	9.25	-121.19
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CCC1	REAL300005549658	1	45	-2.0	-108.56	384.70	6.42	-102.14
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CCC1	REAL300005549659	1	45	-2.0	-113.83	384.43	6.39	-107.44
CC1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005549670	0	41	-2.0	-92.76	365.68	4.58	-88.18
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CCC1	REAL300005549854	0	42	-2.0	-106.82	377.17	5.35	-101.47
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)O1	REAL300005549871	1	44	-2.0	-98.68	378.84	2.70	-95.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)O1	REAL300005549872	1	35	-2.0	-96.82	320.82	0.26	-96.56
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CCC1	REAL300005550100	0	42	-2.0	-112.07	383.47	5.48	-106.59
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCC2)=CS1	REAL300005550354	1	42	-2.0	-112.68	358.34	4.62	-108.06
CC1=C(CC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005550526	1	44	-2.0	-117.49	375.08	4.83	-112.66
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CCC1	REAL300005550655	1	45	-2.0	-101.64	384.88	6.40	-95.24
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCC1	REAL300005551187	1	34	-2.0	-119.77	307.08	7.06	-112.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300005551253	0	37	-2.0	-104.70	330.22	2.63	-102.07
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CCC1	REAL300005551298	1	44	-2.0	-97.71	379.92	4.64	-93.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)=C1	REAL300005551312	0	47	-2.0	-134.47	391.59	7.66	-126.81
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)C=C1	REAL300005551313	0	47	-2.0	-132.93	391.52	7.67	-125.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300005551360	0	41	-2.0	-129.25	359.06	6.77	-122.48
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCC1	REAL300005551364	0	38	-2.0	-131.75	337.74	5.82	-125.93
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCC1	REAL300005551379	1	36	-2.0	-135.53	310.90	6.67	-128.86
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCC1	REAL300005551395	0	38	-2.0	-97.37	351.18	3.92	-93.45
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1CCC1	REAL300005551425	0	30	-2.0	-101.00	285.21	3.55	-97.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)=C1	REAL300005551457	0	41	-2.0	-137.53	356.08	6.40	-131.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300005551458	0	44	-2.0	-135.84	365.45	7.55	-128.29
CC1=C(CC(=O)NC(C(=O)[O-])C2CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005551483	1	44	-2.0	-115.50	375.26	4.83	-110.67
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCC1	REAL300005551508	0	31	-2.0	-97.95	285.63	5.00	-92.95
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CC(Cl)=C1[O-]	REAL300005551566	1	38	-2.0	-103.31	330.48	5.97	-97.34
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCC1	REAL300005551569	0	41	-2.0	-138.50	361.23	7.17	-131.33
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCC3)=N2)C=C1	REAL300005551573	0	42	-2.0	-132.64	360.81	5.05	-127.59
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCC2)=CO1	REAL300005551583	1	35	-2.0	-103.94	315.75	0.10	-103.84
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300005551677	0	34	-2.0	-91.15	303.73	3.14	-88.01
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300005551677	1	34	-2.0	-91.13	303.80	3.15	-87.98
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCC1	REAL300005551876	1	39	-2.0	-112.42	325.64	4.58	-107.84
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC1	REAL300005552029	0	31	-2.0	-115.75	301.15	7.09	-108.66
COC1=CC=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C([O-])=C1	REAL300005553565	1	36	-2.0	-101.43	323.90	5.89	-95.54
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005553900	1	32	-2.0	-89.25	303.84	5.21	-84.04
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300005553952	0	32	-2.0	-85.88	301.46	3.29	-82.59
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300005553952	1	32	-2.0	-85.86	301.52	3.31	-82.55
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005554015	1	37	-2.0	-106.97	337.68	4.75	-102.22
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300005554031	1	31	-2.0	-89.08	292.68	3.32	-85.76
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005554109	0	37	-2.0	-113.43	338.16	7.31	-106.12
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005554306	0	32	-2.0	-87.97	320.42	5.79	-82.18
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300005554378	0	35	-2.0	-87.31	322.95	4.08	-83.23
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300005554378	1	35	-2.0	-87.30	323.01	4.09	-83.21
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005554403	0	32	-2.0	-87.03	313.63	5.70	-81.33
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005554511	0	35	-2.0	-85.55	333.63	3.88	-81.67
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005554511	1	35	-2.0	-85.59	333.56	3.87	-81.72
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300005554661	0	30	-2.0	-94.48	285.32	3.75	-90.73
COCC1=NC=C(C(=O)NC2=CC=C(OC(F)(F)F)C=C2C(=O)[O-])C(=O)[N-]1	REAL300005554677	1	37	-2.0	-105.37	339.54	2.42	-102.95
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005554709	1	40	-2.0	-107.23	353.44	5.30	-101.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])O1	REAL300005556180	1	42	-2.0	-104.08	373.94	2.06	-102.02
COC1=CC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C([O-])=C1	REAL300005557129	1	42	-2.0	-112.52	348.97	7.06	-105.46
CC(C)OC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300005557568	1	38	-2.0	-97.07	329.02	6.37	-90.70
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C(=O)[O-])=C1	REAL300005557580	1	41	-2.0	-103.73	358.25	8.74	-94.99
CC(C)OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300005557621	0	38	-2.0	-92.48	325.90	4.40	-88.08
CC(C)OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300005557621	1	38	-2.0	-92.47	325.95	4.41	-88.06
CC(C)OC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300005557683	0	44	-2.0	-106.81	383.16	4.42	-102.39
CC(C)OC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300005557705	1	43	-2.0	-116.79	361.92	5.96	-110.83
CC(C)OC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C(C(=O)[O-])=C1	REAL300005557737	1	37	-2.0	-95.80	316.05	4.40	-91.40
CC(C)OC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300005557819	0	45	-2.0	-117.10	389.42	7.61	-109.49
CC(C)OC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C(=O)[O-])=C1	REAL300005557850	0	43	-2.0	-122.80	362.29	8.42	-114.38
CC(C)OC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300005558087	0	38	-2.0	-95.67	343.93	6.87	-88.80
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300005558175	0	41	-2.0	-92.97	348.17	5.22	-87.75
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300005558175	1	41	-2.0	-93.02	348.23	5.23	-87.79
CC(C)OC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300005558205	0	38	-2.0	-94.94	338.82	6.85	-88.09
CCOC1=CC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005558209	1	45	-2.0	-100.87	389.87	7.89	-92.98
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])=CO1	REAL300005558230	1	42	-2.0	-90.85	374.08	2.06	-88.79
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300005558364	0	41	-2.0	-93.39	358.74	5.03	-88.36
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300005558364	1	41	-2.0	-93.37	358.67	5.02	-88.35
CC(C)OC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C(C(=O)[O-])=C1	REAL300005558583	0	36	-2.0	-102.43	310.63	4.88	-97.55
COCC1=NC=C(C(=O)NC2=CC=C(OC(C)C)C=C2C(=O)[O-])C(=O)[N-]1	REAL300005558606	1	43	-2.0	-114.45	364.04	3.57	-110.88
CC(C)OC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300005558648	1	46	-2.0	-117.41	378.05	6.43	-110.98
CC(C)OC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300005558875	0	38	-2.0	-101.91	352.32	8.79	-93.12
CCC1=C(C)N=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300005560464	1	40	-2.0	-95.09	372.97	2.99	-92.10
CCC1=C(C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300005560480	1	39	-2.0	-104.05	328.06	6.96	-97.09
CCC1=C(C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005560481	1	42	-2.0	-96.91	340.22	7.50	-89.41
CCC1=C(C)N=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300005560488	1	41	-2.0	-113.07	362.37	7.17	-105.90
CCC1=C(C)N=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300005560493	1	35	-2.0	-118.19	327.02	2.27	-115.92
CCC1=C(C)N=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300005560498	1	39	-2.0	-108.16	338.29	6.48	-101.68
CCC1=C(C)N=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300005560502	1	39	-2.0	-119.53	338.06	8.68	-110.85
CCC1=C(C)N=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300005560504	1	39	-2.0	-112.97	352.66	8.73	-104.24
CCC1=C(C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300005560532	1	42	-2.0	-96.91	340.22	7.50	-89.41
CCC[C@H](CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300005561498	1	53	-2.0	-107.63	421.95	6.95	-100.68
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300005561844	0	43	-2.0	-108.90	364.03	4.48	-104.42
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300005562154	0	43	-2.0	-119.22	364.45	4.97	-114.25
CCC[C@H](CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300005562200	1	45	-2.0	-125.14	381.49	10.02	-115.12
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005562382	1	47	-2.0	-110.99	402.38	7.26	-103.73
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005562383	1	47	-2.0	-117.66	402.57	7.25	-110.41
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300005562396	0	43	-2.0	-94.76	383.82	5.44	-89.32
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005562627	0	44	-2.0	-109.19	394.32	6.26	-102.93
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005562646	1	46	-2.0	-89.55	388.13	2.99	-86.56
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005562647	1	37	-2.0	-88.98	334.51	0.46	-88.52
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300005562884	0	47	-2.0	-113.70	398.89	2.71	-110.99
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005562928	0	40	-2.0	-117.46	342.97	4.08	-113.38
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005562935	0	44	-2.0	-115.89	394.51	6.25	-109.64
CCC[C@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005563284	1	44	-2.0	-110.79	376.24	4.86	-105.93
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005563499	0	40	-2.0	-100.98	349.05	3.87	-97.11
CCC[C@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005563506	1	46	-2.0	-116.17	386.18	5.01	-111.16
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC	REAL300005563511	0	46	-2.0	-119.91	385.95	5.75	-114.16
CCC[C@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300005563574	1	46	-2.0	-98.34	367.28	5.32	-93.02
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005563672	1	47	-2.0	-103.59	402.57	7.25	-96.34
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005564224	0	46	-2.0	-122.66	389.08	6.31	-116.35
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005564393	1	36	-2.0	-111.00	318.77	7.26	-103.74
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005564482	0	39	-2.0	-96.87	343.12	2.80	-94.07
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005564544	1	46	-2.0	-99.46	397.61	5.47	-93.99
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005564559	0	49	-2.0	-136.63	403.35	8.25	-128.38
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005564560	0	49	-2.0	-120.55	402.86	7.86	-112.69
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005564628	0	43	-2.0	-127.39	365.08	7.17	-120.22
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005564632	0	40	-2.0	-133.49	349.56	6.40	-127.09
CCC[C@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005564654	1	38	-2.0	-122.44	322.02	6.84	-115.60
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005564672	0	40	-2.0	-100.64	364.11	4.68	-95.96
CCC[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005564712	0	32	-2.0	-94.63	303.58	3.81	-90.82
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005564762	0	43	-2.0	-142.41	366.96	7.31	-135.10
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300005564763	0	46	-2.0	-139.64	376.32	8.49	-131.15
CCC[C@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005564808	1	46	-2.0	-127.03	387.02	5.28	-121.75
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005564842	0	33	-2.0	-101.42	303.66	5.86	-95.56
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300005564928	1	40	-2.0	-106.32	348.50	6.83	-99.49
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005564932	0	43	-2.0	-139.84	373.05	7.76	-132.08
CCC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300005564939	0	44	-2.0	-136.82	371.69	5.96	-130.86
CCC[C@H](CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005564956	1	37	-2.0	-105.52	334.38	0.76	-104.76
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005565077	0	36	-2.0	-85.69	317.42	3.32	-82.37
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005565077	1	36	-2.0	-85.69	317.49	3.33	-82.36
CCC[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005565342	1	41	-2.0	-112.42	333.04	5.71	-106.71
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005565558	0	33	-2.0	-106.49	312.85	7.30	-99.19
CCC[C@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300005565790	0	41	-2.0	-101.22	347.50	4.40	-96.82
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300005566531	0	53	-2.0	-119.85	420.76	7.18	-112.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])CC1CCCCC1	REAL300005566779	0	53	-2.0	-120.65	420.83	7.40	-113.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300005567163	1	47	-2.0	-89.96	393.90	2.93	-87.03
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])CC1CCCCC1	REAL300005567379	0	50	-2.0	-110.11	396.69	6.59	-103.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)=CS1	REAL300005567691	1	54	-2.0	-112.46	435.62	7.37	-105.09
CC1=C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005567975	1	56	-2.0	-117.73	421.51	8.58	-109.15
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005569001	1	43	-2.0	-106.30	345.18	7.43	-98.87
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005569014	1	46	-2.0	-122.65	375.51	9.91	-112.74
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300005569056	0	43	-2.0	-93.50	344.69	5.27	-88.23
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300005569056	1	43	-2.0	-93.51	344.75	5.28	-88.23
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300005569139	0	49	-2.0	-97.88	402.51	5.32	-92.56
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005569174	1	48	-2.0	-117.06	375.94	7.69	-109.37
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CN=CC([O-])=C1	REAL300005569216	1	42	-2.0	-100.68	335.60	5.26	-95.42
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005569329	0	50	-2.0	-121.57	408.25	8.44	-113.13
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005569375	1	48	-2.0	-125.04	381.41	9.35	-115.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300005569534	0	56	-2.0	-126.34	443.40	10.09	-116.25
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005569666	0	43	-2.0	-101.75	361.32	8.57	-93.18
COC1=C(C(=O)N[C@@H](CC(=O)[O-])CC2CCCCC2)NC(=O)[N-]C1=O	REAL300005569684	1	46	-2.0	-107.40	364.01	3.19	-104.21
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300005569783	0	46	-2.0	-105.92	364.11	6.27	-99.65
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O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCCOC4)S3)(CC1)CC2	REAL300005592320	0	50	-2.0	-98.29	392.59	7.75	-90.54
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCCOC4)S3)(CC1)CC2	REAL300005592320	1	50	-2.0	-98.29	392.59	7.75	-90.54
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOCC3)S2)N=N1	REAL300005592345	0	39	-2.0	-105.28	348.69	3.58	-101.70
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592345	1	39	-2.0	-105.28	348.69	3.58	-101.70
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4CCOCC4)S3)(C1)C2	REAL300005592353	0	41	-2.0	-99.40	350.53	6.39	-93.01
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(C1)C2	REAL300005592353	1	41	-2.0	-99.40	350.53	6.39	-93.01
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOCC4)S3)(CC1)C2	REAL300005592357	0	47	-2.0	-103.02	380.90	7.20	-95.82
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(CC1)C2	REAL300005592357	1	47	-2.0	-103.02	380.90	7.20	-95.82
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOCC4)S3)(CC1)CC2	REAL300005592358	0	50	-2.0	-96.21	392.37	7.79	-88.42
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(CC1)CC2	REAL300005592358	1	50	-2.0	-96.21	392.37	7.79	-88.42
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOCC3)S2)N=C1	REAL300005592368	0	40	-2.0	-103.84	353.81	4.98	-98.86
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592368	1	40	-2.0	-103.84	353.81	4.98	-98.86
O=C([O-])COCC(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592374	0	37	-2.0	-109.96	326.03	4.63	-105.33
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592374	1	37	-2.0	-109.96	326.03	4.63	-105.33
C[C@@H]1C[C@H](C(=O)NC2=NC=C(CC3CCOCC3)S2)O[C@H]1C(=O)[O-]	REAL300005592376	0	44	-2.0	-110.22	369.47	6.29	-103.93
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)O[C@H]1C(=O)[O-]	REAL300005592376	1	44	-2.0	-110.22	369.47	6.29	-103.93
CC(C)(CCC(=O)[O-])C(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592377	0	45	-2.0	-107.24	367.06	6.37	-100.87
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592377	1	45	-2.0	-107.24	367.06	6.37	-100.87
O=C(COCC1=C(C(=O)[O-])N=CO1)NC1=NC=C(CC2CCOCC2)S1	REAL300005592382	0	43	-2.0	-117.01	379.87	2.52	-114.49
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592382	1	43	-2.0	-117.01	379.87	2.52	-114.49
O=C([O-])C1=NN(CC(=O)NC2=NC=C(CC3CCOCC3)S2)C=C1	REAL300005592388	0	40	-2.0	-118.92	353.17	5.01	-113.91
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592388	1	40	-2.0	-118.92	353.17	5.01	-113.91
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=NC=C(CC3CCOCC3)S2)O1	REAL300005592391	0	47	-2.0	-107.86	390.93	6.74	-101.12
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)O1	REAL300005592391	1	47	-2.0	-107.86	390.93	6.74	-101.12
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCOCC3)S2)CC1C1=CC=CC=C1	REAL300005592402	0	47	-2.0	-122.16	393.16	8.71	-113.45
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1C1=CC=CC=C1	REAL300005592402	1	47	-2.0	-122.16	393.16	8.71	-113.45
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOCC3)S2)C2=CC=CC=C12	REAL300005592404	0	47	-2.0	-112.33	405.11	8.96	-103.37
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C2=CC=CC=C12	REAL300005592404	1	47	-2.0	-112.33	405.11	8.96	-103.37
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCOCC3)S2)CC=CC1	REAL300005592419	0	41	-2.0	-120.21	345.60	6.21	-114.00
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC=CC1	REAL300005592419	1	41	-2.0	-120.21	345.60	6.21	-114.00
COC(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592425	0	37	-2.0	-118.55	324.34	4.49	-114.06
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592425	1	37	-2.0	-118.55	324.34	4.49	-114.06
C[C@]1(C(=O)NC2=NC=C(CC3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300005592426	0	40	-2.0	-129.39	339.00	6.94	-122.45
C[C@]1(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300005592426	1	40	-2.0	-129.39	339.00	6.94	-122.45
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4CCOCC4)S3)(C1)OC2	REAL300005592430	0	42	-2.0	-99.92	357.51	4.36	-95.56
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(C1)OC2	REAL300005592430	1	42	-2.0	-99.92	357.51	4.36	-95.56
CC1CC1(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592432	0	40	-2.0	-116.91	338.77	5.99	-110.92
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592432	1	40	-2.0	-116.91	338.77	5.99	-110.92
C=C1CCC1(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592440	0	41	-2.0	-119.65	349.39	6.40	-113.25
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592440	1	41	-2.0	-119.65	349.39	6.40	-113.25
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300005592442	0	45	-2.0	-135.25	367.09	5.20	-130.05
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300005592442	1	45	-2.0	-135.25	367.09	5.20	-130.05
CC(C)[C@]1(C(=O)NC2=NC=C(CC3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300005592444	0	46	-2.0	-130.60	372.32	8.10	-122.50
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300005592444	1	46	-2.0	-130.60	372.32	8.10	-122.50
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOCC4)S3)(CC1)CC2	REAL300005592449	0	50	-2.0	-96.21	392.37	7.79	-88.42
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(CC1)CC2	REAL300005592449	1	50	-2.0	-96.21	392.37	7.79	-88.42
CC1=C(CCC(=O)N2CCC(C)C2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300005592693	0	51	-2.0	-113.96	398.92	7.43	-106.53
CC1=C(CCC(=O)N2CCC(C)C2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005592693	1	51	-2.0	-113.96	398.92	7.43	-106.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300005593222	1	43	-2.0	-139.33	367.88	10.80	-128.53
CC1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300005593369	1	45	-2.0	-112.66	373.87	7.53	-105.13
CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300005593370	1	45	-2.0	-112.70	376.14	7.06	-105.64
CC1=CC(C(=O)N2CCC(C)C2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005593381	0	41	-2.0	-102.78	357.72	4.91	-97.87
CC1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1C(=O)[O-]	REAL300005593565	0	42	-2.0	-124.03	369.08	5.80	-118.23
CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1C(=O)[O-]	REAL300005593582	1	44	-2.0	-101.99	369.76	3.83	-98.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)C2C(=O)[O-])O1	REAL300005593583	1	35	-2.0	-100.65	309.45	1.35	-99.30
CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1C(=O)[O-]	REAL300005593811	0	42	-2.0	-110.92	368.08	6.05	-104.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C)C2C(=O)[O-])=CS1	REAL300005594065	1	42	-2.0	-120.92	351.41	6.07	-114.85
CC1=C(CC(=O)N2CCC(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005594237	1	44	-2.0	-125.79	368.21	6.28	-119.51
CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300005594366	1	45	-2.0	-107.72	374.03	7.52	-100.20
CC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300005594898	1	34	-2.0	-125.07	292.29	7.49	-117.58
CC1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1C(=O)[O-]	REAL300005594964	0	37	-2.0	-110.57	321.87	3.41	-107.16
CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1C(=O)[O-]	REAL300005595009	1	44	-2.0	-103.92	369.06	5.76	-98.16
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C)C3C(=O)[O-])=N2)=C1	REAL300005595023	0	47	-2.0	-144.12	381.78	9.37	-134.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)C3C(=O)[O-])=N2)C=C1	REAL300005595024	0	47	-2.0	-142.98	381.70	9.37	-133.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300005595071	0	41	-2.0	-139.27	349.27	8.48	-130.79
CC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1C(=O)[O-]	REAL300005595075	0	38	-2.0	-140.94	327.92	7.52	-133.42
CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1C(=O)[O-]	REAL300005595090	1	36	-2.0	-145.88	301.41	8.21	-137.67
CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1C(=O)[O-]	REAL300005595106	0	38	-2.0	-96.51	337.68	4.49	-92.02
CC1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1C(=O)[O-]	REAL300005595136	0	30	-2.0	-108.15	272.03	3.71	-104.44
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C)C3C(=O)[O-])=N2)=C1	REAL300005595168	0	41	-2.0	-148.23	346.26	8.10	-140.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300005595169	0	44	-2.0	-146.79	360.40	9.03	-137.76
CC1=C(CC(=O)N2CCC(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005595194	1	44	-2.0	-123.70	368.39	6.27	-117.43
CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1C(=O)[O-]	REAL300005595219	0	31	-2.0	-104.20	282.69	5.92	-98.28
CCOC1=CC(C(=O)N2CCC(C)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005595277	1	38	-2.0	-110.15	328.39	6.50	-103.65
CC1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300005595280	0	41	-2.0	-149.85	353.45	8.61	-141.24
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)C3C(=O)[O-])=N2)C=C1	REAL300005595284	0	42	-2.0	-142.50	350.98	6.75	-135.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C)C2C(=O)[O-])=CO1	REAL300005595294	1	35	-2.0	-101.73	305.37	1.02	-100.71
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300005595388	0	34	-2.0	-96.23	290.93	4.83	-91.40
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300005595388	1	34	-2.0	-96.19	291.00	4.82	-91.37
CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1C(=O)[O-]	REAL300005595587	1	39	-2.0	-119.76	319.37	5.64	-114.12
CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1C(=O)[O-]	REAL300005595740	0	31	-2.0	-118.84	286.82	6.51	-112.33
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005596927	0	45	-2.0	-100.96	377.24	5.37	-95.59
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)C1	REAL300005597242	0	45	-2.0	-126.49	375.15	5.63	-120.86
C=CCC1(C(=O)[O-])CCN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C1	REAL300005597292	1	47	-2.0	-106.14	398.33	11.01	-95.13
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300005597735	1	48	-2.0	-100.83	398.35	4.39	-96.44
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C1	REAL300005597736	1	39	-2.0	-99.93	343.59	1.94	-97.99
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300005598009	0	42	-2.0	-116.53	353.60	4.65	-111.88
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300005598378	1	46	-2.0	-104.71	384.55	6.15	-98.56
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005598614	0	42	-2.0	-94.10	362.27	4.77	-89.33
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300005598617	1	48	-2.0	-118.54	398.63	6.49	-112.05
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CCC)C1	REAL300005598620	0	48	-2.0	-127.36	396.65	6.42	-120.94
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C1	REAL300005598700	1	48	-2.0	-105.14	385.68	6.04	-99.10
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005599731	1	38	-2.0	-128.91	329.76	7.91	-121.00
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005599839	0	41	-2.0	-91.43	348.95	3.73	-87.70
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005599872	1	40	-2.0	-106.79	333.95	5.11	-101.68
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C1	REAL300005599930	0	51	-2.0	-127.83	411.72	9.35	-118.48
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300005599931	0	51	-2.0	-125.98	411.67	9.36	-116.62
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300005600021	0	45	-2.0	-122.68	378.79	8.45	-114.23
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005600026	0	42	-2.0	-123.00	357.90	7.50	-115.50
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005600057	1	40	-2.0	-135.36	330.80	8.77	-126.59
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300005600210	0	45	-2.0	-130.48	376.24	8.09	-122.39
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])C1	REAL300005600211	0	48	-2.0	-128.32	390.31	9.09	-119.23
C=CCC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300005600282	1	48	-2.0	-114.95	398.19	6.41	-108.54
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005600332	0	35	-2.0	-85.07	309.74	6.25	-78.82
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C1	REAL300005600343	1	38	-2.0	-103.49	320.43	1.79	-101.70
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005600468	0	35	-2.0	-89.31	305.95	6.11	-83.20
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)C1	REAL300005600471	1	42	-2.0	-100.79	354.74	7.10	-93.69
C=CCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C1	REAL300005600483	0	46	-2.0	-125.60	380.96	6.74	-118.86
C=CCC1(C(=O)[O-])CCN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C1	REAL300005600506	1	39	-2.0	-109.70	341.41	1.60	-108.10
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005600663	0	38	-2.0	-83.22	328.10	5.17	-78.05
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005600663	1	38	-2.0	-83.21	328.18	5.18	-78.03
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(COC)[N-]C2=O)C1	REAL300005600982	1	40	-2.0	-106.40	335.81	2.76	-103.64
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005601026	1	43	-2.0	-105.58	354.67	5.78	-99.80
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005601324	0	35	-2.0	-123.35	323.83	7.95	-115.40
C=CCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C1	REAL300005601624	0	43	-2.0	-103.91	369.29	5.31	-98.60
CCC[C@@H](CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300005602361	1	53	-2.0	-118.44	422.40	6.88	-111.56
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300005602707	0	43	-2.0	-109.26	363.72	4.42	-104.84
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300005603017	0	43	-2.0	-116.44	364.19	4.91	-111.53
CCC[C@@H](CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300005603063	1	45	-2.0	-117.22	386.04	9.61	-107.61
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005603245	1	47	-2.0	-100.17	402.87	6.64	-93.53
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005603246	1	47	-2.0	-113.47	403.29	6.92	-106.55
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300005603259	0	43	-2.0	-93.08	385.18	5.09	-87.99
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005603490	0	44	-2.0	-98.60	394.81	5.65	-92.95
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005603509	1	46	-2.0	-90.14	389.54	2.89	-87.25
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005603510	1	37	-2.0	-89.33	334.78	0.45	-88.88
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300005603747	0	47	-2.0	-115.78	398.61	2.66	-113.12
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005603791	0	40	-2.0	-108.79	342.33	3.75	-105.04
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005603798	0	44	-2.0	-111.38	395.23	5.92	-105.46
CCC[C@@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005604147	1	44	-2.0	-109.35	376.51	4.85	-104.50
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005604362	0	40	-2.0	-101.37	348.74	3.81	-97.56
CCC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005604369	1	46	-2.0	-113.43	387.37	5.04	-108.39
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC	REAL300005604374	0	46	-2.0	-117.07	385.69	5.70	-111.37
CCC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300005604437	1	46	-2.0	-111.99	363.46	6.17	-105.82
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005604535	1	47	-2.0	-96.87	403.05	6.63	-90.24
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005605087	0	46	-2.0	-120.54	389.08	6.28	-114.26
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005605256	1	36	-2.0	-111.31	318.48	7.21	-104.10
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005605345	0	39	-2.0	-106.13	344.26	3.06	-103.07
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005605407	1	46	-2.0	-93.27	398.10	4.86	-88.41
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005605422	0	49	-2.0	-122.25	402.95	7.82	-114.43
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005605423	0	49	-2.0	-132.85	403.77	8.10	-124.75
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005605491	0	43	-2.0	-130.57	370.88	7.23	-123.34
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005605495	0	40	-2.0	-119.40	349.10	5.97	-113.43
CCC[C@@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005605517	1	38	-2.0	-122.53	322.28	6.85	-115.68
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005605535	0	40	-2.0	-96.42	364.83	4.35	-92.07
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005605575	0	32	-2.0	-100.77	304.24	4.07	-96.70
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005605625	0	43	-2.0	-137.58	368.33	6.83	-130.75
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300005605626	0	46	-2.0	-138.06	384.56	7.99	-130.07
CCC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005605671	1	46	-2.0	-111.61	386.63	4.99	-106.62
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005605705	0	33	-2.0	-98.87	305.02	5.52	-93.35
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300005605791	1	40	-2.0	-104.17	349.86	6.49	-97.68
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005605795	0	43	-2.0	-137.10	373.07	7.59	-129.51
CCC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300005605802	0	44	-2.0	-132.35	373.06	5.47	-126.88
CCC[C@@H](CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005605819	1	37	-2.0	-103.26	334.33	0.70	-102.56
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005605940	0	36	-2.0	-85.82	317.68	3.31	-82.51
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005605940	1	36	-2.0	-85.80	317.75	3.32	-82.48
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005606205	1	41	-2.0	-97.59	335.83	4.71	-92.88
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005606421	0	33	-2.0	-106.79	312.54	7.25	-99.54
CCC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300005606653	0	41	-2.0	-116.68	342.83	5.23	-111.45
C=CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300005607019	1	48	-2.0	-105.07	396.30	5.91	-99.16
C=CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005607333	0	38	-2.0	-115.42	338.74	3.68	-111.74
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300005607580	1	42	-2.0	-107.20	384.48	5.93	-101.27
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300005607623	0	38	-2.0	-116.04	338.54	3.97	-112.07
C=CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300005607661	1	40	-2.0	-126.81	359.97	8.84	-117.97
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300005607711	1	42	-2.0	-99.56	384.30	5.96	-93.60
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300005607713	1	45	-2.0	-99.34	397.97	6.63	-92.71
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005607828	1	42	-2.0	-105.80	377.07	5.93	-99.87
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300005607829	1	42	-2.0	-111.39	377.80	5.95	-105.44
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300005607840	0	38	-2.0	-90.84	359.05	4.14	-86.70
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300005607960	1	45	-2.0	-100.14	399.47	6.55	-93.59
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005608042	0	39	-2.0	-107.61	369.83	4.90	-102.71
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300005608059	1	41	-2.0	-96.58	364.56	2.13	-94.45
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300005608060	1	32	-2.0	-95.33	309.79	-0.32	-95.65
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300005608169	1	45	-2.0	-114.18	399.45	6.54	-107.64
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300005608206	1	45	-2.0	-115.13	399.49	6.53	-108.60
C=CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005608277	0	42	-2.0	-120.64	373.42	1.89	-118.75
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005608325	0	35	-2.0	-114.47	317.31	3.00	-111.47
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300005608334	0	39	-2.0	-109.60	369.18	4.93	-104.67
C=CCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300005608335	0	42	-2.0	-113.97	394.66	5.55	-108.42
C=CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300005608637	1	39	-2.0	-110.44	351.54	4.09	-106.35
C=CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005608810	0	35	-2.0	-107.06	323.76	3.06	-104.00
C=CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300005608819	1	41	-2.0	-115.18	362.39	4.28	-110.90
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300005608824	0	41	-2.0	-116.84	360.28	4.69	-112.15
C=CCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300005608874	1	41	-2.0	-111.16	341.47	4.50	-106.66
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300005608980	1	42	-2.0	-99.44	378.06	5.87	-93.57
C=CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005609396	0	41	-2.0	-119.39	363.20	5.26	-114.13
C=CCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300005609477	0	28	-2.0	-93.60	297.46	5.28	-88.32
C=CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005609530	1	31	-2.0	-117.08	292.67	6.50	-110.58
C=CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005609606	0	34	-2.0	-102.94	318.12	2.10	-100.84
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300005609659	1	41	-2.0	-95.36	372.27	4.13	-91.23
C=CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300005609674	0	44	-2.0	-131.53	377.96	7.06	-124.47
C=CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300005609675	0	44	-2.0	-130.07	377.65	7.13	-122.94
C=CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300005609729	0	38	-2.0	-126.50	345.19	6.23	-120.27
C=CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300005609732	0	35	-2.0	-127.21	324.11	5.21	-122.00
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300005609760	0	35	-2.0	-95.38	339.58	3.31	-92.07
C=CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300005609791	0	27	-2.0	-98.72	278.58	3.11	-95.61
C=CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300005609827	0	38	-2.0	-134.51	342.21	5.87	-128.64
C=CCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300005609828	0	41	-2.0	-133.23	358.72	6.94	-126.29
C=CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300005609851	1	41	-2.0	-112.47	360.83	4.27	-108.20
C=CCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300005609920	1	35	-2.0	-101.00	324.01	5.47	-95.53
C=CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005609924	0	38	-2.0	-135.63	347.59	6.60	-129.03
C=CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300005609930	0	39	-2.0	-129.65	347.18	4.45	-125.20
C=CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300005609945	1	32	-2.0	-101.89	308.93	-0.33	-102.22
C=CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005610385	0	28	-2.0	-112.78	287.52	6.50	-106.28
C=CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300005610555	0	36	-2.0	-113.96	321.71	3.57	-110.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300005611291	0	48	-2.0	-118.29	397.42	5.01	-113.28
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005611573	0	48	-2.0	-119.23	397.74	5.18	-114.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300005612005	1	42	-2.0	-98.55	369.85	0.47	-98.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005612255	0	45	-2.0	-117.31	376.03	4.33	-112.98
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCCCO2)C(=O)[O-])=CS1	REAL300005612589	1	49	-2.0	-116.72	410.24	5.44	-111.28
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005612813	0	45	-2.0	-110.10	382.68	4.34	-105.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300005612817	0	51	-2.0	-119.93	419.24	5.95	-113.98
CC1=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005612899	1	51	-2.0	-115.63	401.84	5.24	-110.39
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005613932	1	38	-2.0	-101.84	322.08	5.20	-96.64
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005613944	1	41	-2.0	-120.28	352.43	7.73	-112.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300005614057	0	44	-2.0	-105.82	377.08	3.37	-102.45
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005614091	1	43	-2.0	-115.63	354.80	4.76	-110.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300005614244	0	48	-2.0	-132.35	405.51	6.94	-125.41
O=C([O-])C(CC1CCCCO1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005614249	0	45	-2.0	-133.31	385.04	5.93	-127.38
O=C([O-])C(CC1CCCCO1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005614290	1	43	-2.0	-138.74	358.19	6.81	-131.93
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCCCO3)C(=O)[O-])=N2)=C1	REAL300005614455	0	48	-2.0	-140.71	402.54	6.56	-134.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300005614456	0	51	-2.0	-138.87	412.89	7.66	-131.21
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005614593	0	38	-2.0	-98.85	338.09	5.76	-93.09
COC1=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005614610	1	41	-2.0	-99.15	344.03	0.89	-98.26
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614709	0	41	-2.0	-105.32	341.04	4.04	-101.28
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCCO1)C(=O)[O-]	REAL300005614709	1	41	-2.0	-105.29	341.09	4.06	-101.23
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005614747	0	38	-2.0	-99.56	331.64	5.76	-93.80
CCOC1=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005614751	1	45	-2.0	-103.99	382.69	6.80	-97.19
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCCO3)C(=O)[O-])=N2)C=C1	REAL300005614761	0	49	-2.0	-135.58	408.10	5.17	-130.41
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCCCO2)C(=O)[O-])=CO1	REAL300005614784	1	42	-2.0	-102.41	367.61	1.00	-101.41
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005614947	0	41	-2.0	-93.24	352.76	3.34	-89.90
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005614947	1	41	-2.0	-93.32	352.83	3.34	-89.98
COCC1=NC=C(C(=O)NC(CC2CCCCO2)C(=O)[O-])C(=O)[N-]1	REAL300005615277	1	43	-2.0	-113.81	356.66	2.42	-111.39
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005615326	1	46	-2.0	-115.06	370.58	5.31	-109.75
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005615645	0	38	-2.0	-116.57	346.48	7.77	-108.80
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOC3)S2)N=N1	REAL300005616272	0	36	-2.0	-106.32	333.60	2.89	-103.43
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616272	1	36	-2.0	-106.32	333.60	2.89	-103.43
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4CCOC4)S3)(C1)C2	REAL300005616280	0	38	-2.0	-100.46	334.12	5.74	-94.72
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCOC4)S3)(C1)C2	REAL300005616280	1	38	-2.0	-100.46	334.12	5.74	-94.72
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOC4)S3)(CC1)C2	REAL300005616283	0	44	-2.0	-104.53	364.92	6.53	-98.00
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOC4)S3)(CC1)C2	REAL300005616283	1	44	-2.0	-104.53	364.92	6.53	-98.00
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOC4)S3)(CC1)CC2	REAL300005616284	0	47	-2.0	-96.77	376.44	7.04	-89.73
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOC4)S3)(CC1)CC2	REAL300005616284	1	47	-2.0	-96.77	376.44	7.04	-89.73
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOC3)S2)N=C1	REAL300005616293	0	37	-2.0	-104.95	338.53	4.37	-100.58
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616293	1	37	-2.0	-104.95	338.53	4.37	-100.58
O=C([O-])COCC(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616299	0	34	-2.0	-111.16	310.72	4.02	-107.14
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616299	1	34	-2.0	-111.16	310.72	4.02	-107.14
C[C@@H]1C[C@H](C(=O)NC2=NC=C(CC3CCOC3)S2)O[C@H]1C(=O)[O-]	REAL300005616301	0	41	-2.0	-111.08	353.21	5.62	-105.46
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3CCOC3)S2)O[C@H]1C(=O)[O-]	REAL300005616301	1	41	-2.0	-111.08	353.21	5.62	-105.46
CC(C)(CCC(=O)[O-])C(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616302	0	42	-2.0	-108.42	351.75	5.76	-102.66
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616302	1	42	-2.0	-108.42	351.75	5.76	-102.66
O=C([O-])C1=C(COCC(=O)NC2=NC=C(CC3CCOC3)S2)OC=N1	REAL300005616307	0	40	-2.0	-117.83	363.66	1.85	-115.98
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616307	1	40	-2.0	-117.83	363.66	1.85	-115.98
O=C([O-])C1=NN(CC(=O)NC2=NC=C(CC3CCOC3)S2)C=C1	REAL300005616313	0	37	-2.0	-120.17	336.94	4.34	-115.83
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616313	1	37	-2.0	-120.17	336.94	4.34	-115.83
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=NC=C(CC3CCOC3)S2)O1	REAL300005616316	0	44	-2.0	-108.93	374.71	6.07	-102.86
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(CC3CCOC3)S2)O1	REAL300005616316	1	44	-2.0	-108.93	374.71	6.07	-102.86
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCOC3)S2)CC1C1=CC=CC=C1	REAL300005616324	0	44	-2.0	-118.75	374.27	8.22	-110.53
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1C1=CC=CC=C1	REAL300005616324	1	44	-2.0	-118.75	374.27	8.22	-110.53
O=C([O-])C1=CN(CC(=O)NC2=NC=C(CC3CCOC3)S2)C2=CC=CC=C12	REAL300005616326	0	44	-2.0	-113.54	388.89	8.29	-105.25
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C2=CC=CC=C12	REAL300005616326	1	44	-2.0	-113.54	388.89	8.29	-105.25
O=C([O-])C1(C(=O)NC2=NC=C(CC3CCOC3)S2)CC=CC1	REAL300005616341	0	38	-2.0	-121.43	329.38	5.54	-115.89
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC=CC1	REAL300005616341	1	38	-2.0	-121.43	329.38	5.54	-115.89
COC(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616347	0	34	-2.0	-119.87	309.03	3.88	-115.99
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616347	1	34	-2.0	-119.87	309.03	3.88	-115.99
C[C@]1(C(=O)NC2=NC=C(CC3CCOC3)S2)C[C@H]1C(=O)[O-]	REAL300005616348	0	37	-2.0	-127.57	324.21	5.13	-122.44
C[C@]1(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C[C@H]1C(=O)[O-]	REAL300005616348	1	37	-2.0	-127.57	324.21	5.13	-122.44
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4CCOC4)S3)(C1)OC2	REAL300005616355	0	39	-2.0	-100.99	341.29	3.69	-97.30
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4CCOC4)S3)(C1)OC2	REAL300005616355	1	39	-2.0	-100.99	341.29	3.69	-97.30
CC1CC1(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616357	0	37	-2.0	-117.15	320.56	5.55	-111.60
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616357	1	37	-2.0	-117.15	320.56	5.55	-111.60
C=C1CCC1(C(=O)[O-])C(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616365	0	38	-2.0	-120.60	333.90	5.80	-114.80
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616365	1	38	-2.0	-120.60	333.90	5.80	-114.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=NC=C(CC2CCOC2)S1	REAL300005616367	0	42	-2.0	-136.43	348.72	4.27	-132.16
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300005616367	1	42	-2.0	-136.43	348.72	4.27	-132.16
CC(C)[C@]1(C(=O)NC2=NC=C(CC3CCOC3)S2)C[C@H]1C(=O)[O-]	REAL300005616369	0	43	-2.0	-130.06	358.19	6.19	-123.87
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C[C@H]1C(=O)[O-]	REAL300005616369	1	43	-2.0	-130.06	358.19	6.19	-123.87
O=C([O-])C12CCC(C(=O)NC3=NC=C(CC4CCOC4)S3)(CC1)CC2	REAL300005616375	0	47	-2.0	-96.77	376.44	7.04	-89.73
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4CCOC4)S3)(CC1)CC2	REAL300005616375	1	47	-2.0	-96.77	376.44	7.04	-89.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005617655	1	51	-2.0	-123.90	391.36	5.69	-118.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1	REAL300005617656	1	42	-2.0	-121.49	338.35	3.13	-118.36
CC(C)C(=O)[N-]C1=NC(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=CS1	REAL300005618126	1	49	-2.0	-110.09	382.96	7.02	-103.07
CC1=C(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005618315	1	51	-2.0	-131.02	392.81	7.15	-123.87
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C([O-])C(F)=C1	REAL300005619215	1	38	-2.0	-116.13	289.04	6.34	-109.79
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005619225	1	41	-2.0	-126.58	325.54	8.34	-118.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=N1	REAL300005619309	0	44	-2.0	-118.82	364.39	5.01	-113.81
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005619333	1	43	-2.0	-132.61	322.35	6.98	-125.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=N2)=C1	REAL300005619383	0	54	-2.0	-145.23	403.30	10.20	-135.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=N2)C=C1	REAL300005619384	0	54	-2.0	-141.29	404.04	10.24	-131.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300005619451	0	48	-2.0	-136.39	374.98	9.28	-127.11
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005619456	0	45	-2.0	-134.53	350.40	8.38	-126.15
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005619486	1	43	-2.0	-138.21	339.19	10.26	-127.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=N2)=C1	REAL300005619621	0	48	-2.0	-145.56	369.22	8.94	-136.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300005619622	0	51	-2.0	-145.89	386.42	9.60	-136.29
CC1=C(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005619680	1	51	-2.0	-129.47	393.00	7.15	-122.32
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005619735	0	38	-2.0	-110.41	309.51	6.90	-103.51
COC1=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)NC(=O)[N-]C1=O	REAL300005619746	1	41	-2.0	-116.21	318.62	1.28	-114.93
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC1=N[N-]N=N1	REAL300005619820	0	41	-2.0	-119.87	313.81	6.03	-113.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC1=NN=N[N-]1	REAL300005619820	1	41	-2.0	-119.84	313.87	6.05	-113.79
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005619850	0	38	-2.0	-110.86	298.83	6.82	-104.04
CCOC1=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=CC(Cl)=C1[O-]	REAL300005619854	1	45	-2.0	-117.37	354.36	7.87	-109.50
COC1=CC=C(N2C=C([O-])C(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=N2)C=C1	REAL300005619860	0	49	-2.0	-139.76	373.36	7.62	-132.14
C[N-]S(=O)(=O)C1=CC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=CO1	REAL300005619875	1	42	-2.0	-104.77	349.15	2.77	-102.00
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005620012	0	41	-2.0	-103.51	320.31	6.33	-97.18
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005620012	1	41	-2.0	-103.48	320.38	6.34	-97.14
COCC1=NC=C(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(=O)[N-]1	REAL300005620270	1	43	-2.0	-129.82	324.44	4.57	-125.25
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005620312	1	46	-2.0	-124.78	345.26	6.26	-118.52
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005620552	0	38	-2.0	-115.23	312.68	8.77	-106.46
CC1=C(CCC(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005621809	1	48	-2.0	-113.88	401.20	5.23	-108.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])C=CO2)=C1	REAL300005622169	0	38	-2.0	-111.39	343.35	3.05	-108.34
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])C=CO1	REAL300005622482	0	38	-2.0	-112.25	343.42	3.26	-108.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=C(C(=O)[O-])C=CO2)C=C1	REAL300005622531	1	40	-2.0	-124.04	365.79	8.21	-115.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)O1	REAL300005622981	1	41	-2.0	-100.84	369.85	1.46	-99.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)O1	REAL300005622982	1	32	-2.0	-99.88	314.40	-0.95	-100.83
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])C=CO2)=C1	REAL300005623215	0	42	-2.0	-116.31	378.03	1.27	-115.04
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])C=CO1	REAL300005623260	0	35	-2.0	-110.74	321.96	2.37	-108.37
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=C(C(=O)[O-])C=CO2)=CS1	REAL300005623635	1	39	-2.0	-106.84	356.16	3.47	-103.37
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=C(C(=O)[O-])C=CO1	REAL300005623869	0	35	-2.0	-104.55	328.37	2.43	-102.12
CC1=C(CC(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005623875	1	41	-2.0	-111.40	366.08	3.63	-107.77
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])C=CO1	REAL300005623880	0	41	-2.0	-112.69	364.92	4.05	-108.64
CC1=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005623950	1	41	-2.0	-112.11	346.04	3.86	-108.25
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=C(C(=O)[O-])C=CO1	REAL300005624679	0	41	-2.0	-115.24	367.84	4.62	-110.62
O=C([O-])C1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])OC=C1	REAL300005624871	1	31	-2.0	-111.45	298.11	5.85	-105.60
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)C=N1	REAL300005624969	0	34	-2.0	-104.82	323.01	1.38	-103.44
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)OC=C1	REAL300005624999	1	33	-2.0	-111.06	300.56	2.87	-108.19
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])C=CO3)=N2)=C1	REAL300005625054	0	44	-2.0	-127.62	382.61	6.44	-121.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])C=CO3)=N2)C=C1	REAL300005625055	0	44	-2.0	-125.83	382.54	6.45	-119.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])C=CO2)=N1	REAL300005625129	0	38	-2.0	-121.81	350.07	5.54	-116.27
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])OC=C1	REAL300005625133	0	35	-2.0	-122.79	328.76	4.59	-118.20
O=C([O-])C1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)OC=C1	REAL300005625157	1	33	-2.0	-126.58	301.91	5.47	-121.11
O=C([O-])C1=C(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)OC=C1	REAL300005625176	0	35	-2.0	-93.78	344.23	2.69	-91.09
O=C([O-])C1=C(CNC(=O)C2=CN=C(I)C([O-])=C2)OC=C1	REAL300005625225	0	27	-2.0	-97.77	283.47	2.43	-95.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])C=CO3)=N2)=C1	REAL300005625287	0	38	-2.0	-130.07	347.09	5.17	-124.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])C=CO2)=N1	REAL300005625288	0	41	-2.0	-127.83	356.46	6.33	-121.50
CC1=C(CC(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005625345	1	41	-2.0	-109.47	366.28	3.63	-105.84
O=C([O-])C1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)OC=C1	REAL300005625385	0	28	-2.0	-97.04	283.78	3.84	-93.20
COC1=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)NC(=O)[N-]C1=O	REAL300005625393	1	31	-2.0	-100.22	289.95	-1.06	-101.28
CCOC1=CC(C(=O)NCC2=C(C(=O)[O-])C=CO2)=CC(Cl)=C1[O-]	REAL300005625497	1	35	-2.0	-102.01	328.62	4.82	-97.19
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])OC=C1	REAL300005625501	0	38	-2.0	-131.84	352.24	5.95	-125.89
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])C=CO3)=N2)C=C1	REAL300005625509	0	39	-2.0	-125.59	351.83	3.82	-121.77
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C(=O)[O-])C=CO2)=CO1	REAL300005625530	1	32	-2.0	-100.96	313.54	-0.95	-101.91
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL300005625656	0	31	-2.0	-92.74	297.31	1.94	-90.80
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL300005625656	1	31	-2.0	-92.74	297.38	1.94	-90.80
COCC1=NC=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]1	REAL300005625922	1	33	-2.0	-109.37	302.66	0.46	-108.91
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)OC=C1	REAL300005625959	1	36	-2.0	-110.61	316.57	3.36	-107.25
O=C([O-])C1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])OC=C1	REAL300005626215	0	28	-2.0	-108.16	292.17	5.89	-102.27
CC1=C(C(=O)NCC2=C(C(=O)[O-])C=CO2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005626472	0	36	-2.0	-114.76	326.28	2.95	-111.81
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=C1	REAL300005629184	0	42	-2.0	-103.14	372.53	5.95	-97.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005629439	0	42	-2.0	-104.17	372.52	6.19	-97.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)O1	REAL300005629835	1	36	-2.0	-95.47	340.04	2.51	-92.96
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005630065	0	39	-2.0	-102.71	351.05	5.29	-97.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CS1	REAL300005630384	1	43	-2.0	-101.55	384.46	6.87	-94.68
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=C(C1)SC(C(=O)[O-])=C2	REAL300005630589	0	39	-2.0	-97.43	358.41	5.34	-92.09
CC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005630678	1	45	-2.0	-106.60	384.10	6.65	-99.95
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)S1	REAL300005631719	1	32	-2.0	-97.64	295.67	6.35	-91.29
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)S1	REAL300005631732	1	35	-2.0	-102.57	328.00	7.88	-94.69
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300005631773	0	32	-2.0	-91.82	293.60	4.78	-87.04
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300005631773	1	32	-2.0	-91.85	293.66	4.80	-87.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C=N1	REAL300005631860	0	38	-2.0	-97.99	349.61	4.31	-93.68
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)S1	REAL300005631895	1	37	-2.0	-104.84	335.34	5.82	-99.02
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=CC([O-])=C3)CC2)S1	REAL300005631937	1	31	-2.0	-92.66	282.90	4.42	-88.24
O=C([O-])C1=CC2=C(CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)S1	REAL300005632051	0	39	-2.0	-108.21	354.33	8.23	-99.98
O=C([O-])C1=CC2=C(CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)S1	REAL300005632097	1	37	-2.0	-108.72	327.06	9.30	-99.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=N1	REAL300005632264	0	45	-2.0	-111.60	386.24	9.72	-101.88
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)S1	REAL300005632399	0	32	-2.0	-92.93	310.47	6.86	-86.07
COC1=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)NC(=O)[N-]C1=O	REAL300005632417	1	35	-2.0	-95.14	324.59	0.87	-94.27
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300005632517	0	35	-2.0	-97.23	315.07	5.55	-91.68
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300005632517	1	35	-2.0	-97.26	315.12	5.56	-91.70
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)S1	REAL300005632557	0	32	-2.0	-93.87	305.47	6.83	-87.04
CCOC1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CC(Cl)=C1[O-]	REAL300005632560	1	39	-2.0	-96.64	355.32	7.83	-88.81
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)SC(C(=O)[O-])=C4)=N2)C=C1	REAL300005632569	0	43	-2.0	-110.48	377.45	7.47	-103.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)=CO1	REAL300005632593	1	36	-2.0	-95.95	338.54	2.15	-93.80
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300005632761	0	35	-2.0	-89.38	322.49	5.83	-83.55
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300005632761	1	35	-2.0	-89.41	322.56	5.84	-83.57
O=C([O-])C1=CC2=C(CN(C(=O)C3=C[N-]N=CC3=O)CC2)S1	REAL300005633054	0	30	-2.0	-86.42	278.42	4.79	-81.63
COCC1=NC=C(C(=O)N2CCC3=C(C2)SC(C(=O)[O-])=C3)C(=O)[N-]1	REAL300005633089	1	37	-2.0	-94.38	329.69	3.30	-91.08
O=C([O-])C1=CC2=C(CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)S1	REAL300005633139	1	40	-2.0	-104.32	351.20	6.37	-97.95
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)S1	REAL300005633459	0	32	-2.0	-98.29	321.33	8.35	-89.94
CC1=C(CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005642194	1	54	-2.0	-129.71	411.01	8.84	-120.87
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC[C@@H]2CC(=O)[O-])C=C1	REAL300005642744	1	46	-2.0	-146.15	374.75	11.74	-134.41
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])O1	REAL300005643105	1	47	-2.0	-104.07	373.75	5.11	-98.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])O1	REAL300005643106	1	38	-2.0	-103.00	320.13	2.57	-100.43
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])=CS1	REAL300005643605	1	45	-2.0	-127.89	365.28	7.01	-120.88
CC1=C(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005643797	1	47	-2.0	-130.52	374.80	7.20	-123.32
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005644571	1	37	-2.0	-130.22	306.12	8.21	-122.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C=N1	REAL300005644647	0	40	-2.0	-112.93	330.25	4.55	-108.38
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005644665	1	39	-2.0	-123.15	309.25	5.87	-117.28
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=N2)=C1	REAL300005644713	0	50	-2.0	-150.65	388.58	10.23	-140.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=N2)C=C1	REAL300005644714	0	50	-2.0	-148.79	388.27	10.22	-138.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=N1	REAL300005644766	0	44	-2.0	-147.21	353.13	9.32	-137.89
O=C([O-])C[C@H]1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005644771	0	41	-2.0	-148.22	334.73	8.38	-139.84
O=C([O-])C[C@H]1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005644789	1	39	-2.0	-145.48	310.51	8.52	-136.96
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005644807	0	41	-2.0	-106.95	351.55	5.92	-101.03
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005644847	0	33	-2.0	-110.82	290.68	5.56	-105.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=N2)=C1	REAL300005644895	0	44	-2.0	-155.65	352.87	8.98	-146.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=N1	REAL300005644896	0	47	-2.0	-153.36	374.84	9.50	-143.86
CC1=C(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005644938	1	47	-2.0	-128.53	375.89	7.24	-121.29
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005644973	0	34	-2.0	-109.36	289.68	7.07	-102.29
COC1=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005644979	1	37	-2.0	-106.92	305.07	1.06	-105.86
CCOC1=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005645057	1	41	-2.0	-112.80	334.53	8.04	-104.76
O=C([O-])C[C@H]1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005645060	0	44	-2.0	-153.33	346.68	9.14	-144.19
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3CC(=O)[O-])=N2)C=C1	REAL300005645065	0	45	-2.0	-149.23	357.80	7.61	-141.62
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])=CO1	REAL300005645076	1	38	-2.0	-112.60	319.86	2.50	-110.10
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005645182	0	37	-2.0	-97.96	304.12	5.93	-92.03
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005645182	1	37	-2.0	-97.91	304.19	5.94	-91.97
COCC1=NC=C(C(=O)N2CCCC[C@@H]2CC(=O)[O-])C(=O)[N-]1	REAL300005645393	1	39	-2.0	-122.14	311.23	3.52	-118.62
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005645427	1	42	-2.0	-123.21	325.01	6.42	-116.79
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005645622	0	34	-2.0	-125.61	300.19	8.24	-117.37
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=C1	REAL300005648375	0	43	-2.0	-98.77	377.87	4.67	-94.10
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005648623	0	43	-2.0	-100.66	377.57	4.87	-95.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)O1	REAL300005649007	1	37	-2.0	-87.26	348.55	0.68	-86.58
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CCC(=O)[O-])C(F)(F)F	REAL300005649223	0	40	-2.0	-99.19	356.11	3.97	-95.22
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CCC(=O)[O-])C(F)(F)F)=CS1	REAL300005649535	1	44	-2.0	-100.44	390.65	5.09	-95.35
O=C([O-])CCC(CNC(=O)C1=CC=C([O-])C(F)=C1)C(F)(F)F	REAL300005650845	1	33	-2.0	-92.10	301.92	4.92	-87.18
O=C([O-])CCC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(F)(F)F	REAL300005650858	1	36	-2.0	-100.38	332.26	7.46	-92.92
O=C([O-])CCC(CNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300005650900	0	33	-2.0	-87.51	299.73	2.99	-84.52
O=C([O-])CCC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300005650900	1	33	-2.0	-87.49	299.78	3.01	-84.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C=N1	REAL300005650983	0	39	-2.0	-92.56	357.16	3.00	-89.56
O=C([O-])CCC(CNC(=O)C1=CN=CC([O-])=C1)C(F)(F)F	REAL300005651060	1	32	-2.0	-92.22	291.12	3.05	-89.17
O=C([O-])CCC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(F)(F)F	REAL300005651173	0	40	-2.0	-109.24	362.90	6.20	-103.04
O=C([O-])CCC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(F)(F)F	REAL300005651219	1	38	-2.0	-109.25	336.42	7.09	-102.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=N1	REAL300005651378	0	46	-2.0	-113.42	398.22	7.86	-105.56
O=C([O-])CCC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005651510	0	33	-2.0	-87.93	317.92	5.48	-82.45
COC1=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)NC(=O)[N-]C1=O	REAL300005651528	1	36	-2.0	-90.28	323.98	0.57	-89.71
O=C([O-])CCC(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300005651627	0	36	-2.0	-96.19	320.87	3.77	-92.42
O=C([O-])CCC(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300005651627	1	36	-2.0	-96.22	320.92	3.78	-92.44
O=C([O-])CCC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005651665	0	33	-2.0	-88.50	311.72	5.40	-83.10
CCOC1=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=CC(Cl)=C1[O-]	REAL300005651668	1	40	-2.0	-91.48	362.77	6.45	-85.03
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)=CO1	REAL300005651700	1	37	-2.0	-93.72	348.05	0.67	-93.05
O=C([O-])CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300005651866	0	36	-2.0	-82.90	331.82	3.56	-79.34
O=C([O-])CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300005651866	1	36	-2.0	-82.86	331.89	3.57	-79.29
O=C([O-])CCC(CNC(=O)C1=C[N-]N=CC1=O)C(F)(F)F	REAL300005652154	0	31	-2.0	-81.97	283.34	3.47	-78.50
COCC1=NC=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C(=O)[N-]1	REAL300005652189	1	38	-2.0	-89.57	337.28	2.17	-87.40
O=C([O-])CCC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)(F)F	REAL300005652558	0	33	-2.0	-96.41	326.32	7.49	-88.92
CC1=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C(=O)NC(C2=CC=CO2)=N1	REAL300005652859	0	41	-2.0	-94.19	361.06	4.58	-89.61
CC1=C(C(=O)NCC(CCC(=O)[O-])C(F)(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005652859	1	41	-2.0	-94.19	361.06	4.58	-89.61
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=C1	REAL300005653931	0	41	-2.0	-95.45	362.33	4.51	-90.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=C1	REAL300005653931	1	41	-2.0	-95.45	362.33	4.51	-90.94
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CCC(=O)[O-])C=C1	REAL300005654246	1	41	-2.0	-96.36	362.40	4.73	-91.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN(CCC(=O)[O-])C=C2)C=C1	REAL300005654296	1	43	-2.0	-100.37	384.78	9.66	-90.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)O1	REAL300005654739	1	44	-2.0	-89.00	386.99	3.06	-85.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)O1	REAL300005654740	1	35	-2.0	-88.89	333.37	0.54	-88.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CCC(=O)[O-])C=C1	REAL300005655013	0	38	-2.0	-95.17	340.93	3.83	-91.34
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(CCC(=O)[O-])C=C2)=CS1	REAL300005655382	1	42	-2.0	-95.92	375.14	4.94	-90.98
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NN(CCC(=O)[O-])C=C1	REAL300005655618	0	38	-2.0	-89.71	347.34	3.89	-85.82
CC1=C(CC(=O)NC2=NN(CCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005655621	1	44	-2.0	-100.84	385.08	5.09	-95.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CCC(=O)[O-])C=C1	REAL300005655624	1	44	-2.0	-96.77	383.90	5.52	-91.25
CC1=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005655704	1	44	-2.0	-94.33	365.08	5.34	-88.99
COC1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C([O-])=C1	REAL300005656191	1	35	-2.0	-102.65	307.79	5.51	-97.14
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300005656735	1	34	-2.0	-94.47	317.07	7.18	-87.29
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C=N1	REAL300005656843	0	37	-2.0	-92.40	341.98	2.87	-89.53
O=C([O-])CCN1C=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300005656876	1	36	-2.0	-93.05	319.80	4.26	-88.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN(CCC(=O)[O-])C=C3)=N2)=C1	REAL300005656934	0	47	-2.0	-107.03	401.58	7.90	-99.13
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CCC(=O)[O-])C=C3)=N2)C=C1	REAL300005656935	0	47	-2.0	-105.67	401.51	7.90	-97.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=N1	REAL300005657025	0	41	-2.0	-102.03	363.62	6.97	-95.06
O=C([O-])CCN1C=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300005657030	0	38	-2.0	-103.62	347.73	6.04	-97.58
O=C([O-])CCN1C=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300005657061	0	36	-2.0	-105.21	320.88	6.82	-98.39
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN(CCC(=O)[O-])C=C3)=N2)=C1	REAL300005657214	0	41	-2.0	-109.78	366.07	6.63	-103.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=N1	REAL300005657215	0	44	-2.0	-107.16	375.60	7.77	-99.39
CC1=C(CC(=O)NC2=NN(CCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005657286	1	44	-2.0	-99.63	385.26	5.08	-94.55
O=C([O-])CCN1C=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300005657336	0	31	-2.0	-86.05	302.75	5.33	-80.72
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300005657472	0	31	-2.0	-86.39	296.54	5.26	-81.13
CCOC1=CC(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300005657475	1	38	-2.0	-90.12	347.59	6.31	-83.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CCC(=O)[O-])C=C3)=N2)C=C1	REAL300005657487	0	42	-2.0	-105.81	370.80	5.28	-100.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN(CCC(=O)[O-])C=C2)=CO1	REAL300005657510	1	35	-2.0	-90.87	332.51	0.51	-90.36
O=C([O-])CCN1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300005657600	0	39	-2.0	-93.70	345.00	9.17	-84.53
O=C([O-])CCN1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300005657600	1	39	-2.0	-93.65	344.95	9.20	-84.45
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300005657667	0	34	-2.0	-83.19	316.28	3.41	-79.78
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300005657667	1	34	-2.0	-83.14	316.35	3.44	-79.70
COCC1=NC=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300005657986	1	36	-2.0	-92.19	321.66	1.93	-90.26
O=C([O-])CCN1C=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300005658030	1	39	-2.0	-93.03	335.57	4.81	-88.22
O=C([O-])CCN1C=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300005658328	0	31	-2.0	-91.26	311.14	7.21	-84.05
CC1=C(C(=O)NC2=NN(CCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005658628	0	39	-2.0	-97.32	345.56	4.41	-92.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C(Cl)C=C3)CCCC1)C2	REAL300005659228	0	47	-2.0	-132.68	374.59	10.90	-121.78
CS(=O)(=O)CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659229	0	43	-2.0	-140.20	364.47	5.95	-134.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=CC=N3)C=C1)C2	REAL300005659230	0	41	-2.0	-137.13	340.57	8.93	-128.20
CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659231	0	41	-2.0	-133.88	333.56	7.97	-125.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(F)=C1)C2	REAL300005659232	0	34	-2.0	-130.28	285.75	7.82	-122.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(C(F)(F)F)=C1)C2	REAL300005659233	0	40	-2.0	-132.27	349.27	9.97	-122.30
CC1=CC(Cl)=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659234	0	41	-2.0	-129.40	355.93	10.09	-119.31
CC(OC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659235	0	41	-2.0	-125.31	332.43	9.24	-116.07
COC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659236	0	41	-2.0	-134.37	339.72	8.25	-126.12
COC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659237	0	42	-2.0	-131.19	348.63	8.16	-123.03
CC1=CC=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659238	0	41	-2.0	-131.54	340.53	9.54	-122.00
COC1=CC=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659239	0	42	-2.0	-135.95	348.38	8.62	-127.33
N#CC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659240	0	39	-2.0	-131.26	339.95	9.27	-121.99
CCOC1=CC=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659241	0	45	-2.0	-136.30	370.23	9.54	-126.76
CC1=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Cl	REAL300005659242	0	41	-2.0	-129.53	354.59	9.98	-119.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOC1=CC=CC=C1)C2	REAL300005659243	0	44	-2.0	-132.36	361.58	9.34	-123.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC=C3O1)C2	REAL300005659244	0	37	-2.0	-132.52	313.65	8.66	-123.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Br)S1)C2	REAL300005659245	0	31	-2.0	-125.58	293.15	7.65	-117.93
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300005659246	0	42	-2.0	-129.41	347.81	7.25	-122.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3=CC=CC=C3)C=C1)C2	REAL300005659247	0	48	-2.0	-132.49	393.66	10.99	-121.50
CCOC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659248	0	44	-2.0	-131.54	361.57	9.17	-122.37
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COC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659253	0	41	-2.0	-135.46	342.51	8.10	-127.36
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COC1=CC=CC=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659255	0	44	-2.0	-132.83	359.92	9.10	-123.73
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CC(C)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659263	0	46	-2.0	-132.95	363.63	10.40	-122.55
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COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659289	0	38	-2.0	-134.22	311.70	7.03	-127.19
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COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659292	0	41	-2.0	-131.56	339.72	8.25	-123.31
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COC1=CC=CC(OC)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659295	0	42	-2.0	-141.89	347.71	6.78	-135.11
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COC1=CC=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659297	0	42	-2.0	-135.08	347.71	8.78	-126.30
CC1=CC=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659298	0	41	-2.0	-131.50	339.20	9.58	-121.92
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CC1=CC=C(Cl)C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659301	0	41	-2.0	-132.70	356.56	10.07	-122.63
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CCCOC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659303	0	48	-2.0	-130.85	391.98	9.88	-120.97
CCOC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659304	0	45	-2.0	-131.15	370.48	9.08	-122.07
CC1=CC=C(OC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659305	0	44	-2.0	-129.65	353.53	9.92	-119.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC=C1Cl)C2	REAL300005659306	0	40	-2.0	-129.08	344.23	10.11	-118.97
CC(OC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659307	0	41	-2.0	-127.81	338.53	9.31	-118.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(F)C(Cl)=C1)C2	REAL300005659308	0	38	-2.0	-129.05	341.92	9.98	-119.07
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SN=N1	REAL300005659309	0	32	-2.0	-122.37	279.01	5.09	-117.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3CC3)=C1)C2	REAL300005659310	0	37	-2.0	-134.36	313.69	8.00	-126.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3)CCOCC1)C2	REAL300005659311	0	48	-2.0	-130.41	362.86	8.63	-121.78
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC(F)=C3)CCOCC1)C2	REAL300005659313	0	48	-2.0	-133.62	365.97	8.68	-124.94
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005659314	0	41	-2.0	-129.96	304.86	5.95	-124.01
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CC(C)COC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659316	0	43	-2.0	-125.23	341.07	8.26	-116.97
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CC1=CC(=O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005659318	0	46	-2.0	-144.25	380.42	11.11	-133.14
CC(C)(C)C(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005659319	0	53	-2.0	-137.81	396.24	8.15	-129.66
CCOC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659320	0	41	-2.0	-139.15	333.06	8.70	-130.45
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CN1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC1=O	REAL300005659322	0	37	-2.0	-143.17	315.09	6.92	-136.25
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CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659327	0	40	-2.0	-122.93	331.91	5.40	-117.53
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CC(C)OC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659329	0	43	-2.0	-127.59	347.25	6.27	-121.32
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COC1=CC=C2OC(C)=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005659331	0	44	-2.0	-142.33	368.74	8.60	-133.73
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CN1C=C(C2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CS2)C=N1	REAL300005659333	0	40	-2.0	-146.05	352.78	7.16	-138.89
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CCN1N=C(C(C)C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659337	0	46	-2.0	-127.09	365.56	8.38	-118.71
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CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659339	0	39	-2.0	-131.64	326.66	7.77	-123.87
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CC(C)OC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005659344	0	43	-2.0	-125.12	364.43	6.88	-118.24
CCC1=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005659345	0	39	-2.0	-141.70	340.64	7.16	-134.54
CC1=CN(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005659346	0	40	-2.0	-128.66	334.47	7.59	-121.07
CC(C)(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005659347	0	42	-2.0	-126.70	348.69	7.65	-119.05
CCOC1=CC=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659348	0	40	-2.0	-134.07	342.68	7.14	-126.93
COCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005659349	0	37	-2.0	-137.39	323.75	5.33	-132.06
CCN(CC)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659350	0	47	-2.0	-126.91	375.07	9.48	-117.43
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659351	0	43	-2.0	-128.37	367.55	7.81	-120.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCCCCC3)N=C1)C2	REAL300005659352	0	51	-2.0	-128.88	379.94	8.80	-120.08
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659353	0	42	-2.0	-132.48	352.91	6.90	-125.58
CC1=CC=CC2=C1N=CN(CC(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)C2=O	REAL300005659354	0	45	-2.0	-131.67	380.00	10.05	-121.62
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659355	0	42	-2.0	-123.71	352.65	8.59	-115.12
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005659356	0	45	-2.0	-127.10	366.47	6.82	-120.28
CC1=NN(C)C(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659357	0	43	-2.0	-129.52	354.31	7.64	-121.88
CC1OC2=CC=CC=C2N(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1=O	REAL300005659358	0	46	-2.0	-141.25	376.76	8.46	-132.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(N3CCCC3=O)C=C1)C2	REAL300005659359	0	49	-2.0	-137.48	396.96	10.54	-126.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=NC=N3)C=C1)C2	REAL300005659360	0	43	-2.0	-139.93	361.64	10.47	-129.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC(F)(F)F)N=C1)C2	REAL300005659361	0	40	-2.0	-122.28	351.48	5.86	-116.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC3=CC=CN=C13)C2	REAL300005659362	0	43	-2.0	-139.72	360.17	9.96	-129.76
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005659363	0	49	-2.0	-135.50	393.59	9.38	-126.12
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005659364	0	45	-2.0	-133.76	364.22	8.08	-125.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=CC=N3)N=C1)C2	REAL300005659365	0	40	-2.0	-130.47	333.74	8.22	-122.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC(N3CCCC3)=NC=C1Cl)C2	REAL300005659366	0	44	-2.0	-135.47	365.05	9.04	-126.43
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005659367	0	33	-2.0	-130.53	288.13	5.18	-125.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3=CC=CO3)=N1)C2	REAL300005659368	0	37	-2.0	-143.34	330.74	7.43	-135.91
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659369	0	39	-2.0	-123.31	335.28	7.66	-115.65
CC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659370	0	37	-2.0	-125.92	303.50	6.25	-119.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(C3=CC=CC=C3)C1)C2	REAL300005659371	0	45	-2.0	-132.26	366.13	8.70	-123.56
CCC(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005659372	0	47	-2.0	-148.07	368.83	7.53	-140.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN(C(=O)C3CC3)C1)C2	REAL300005659373	0	48	-2.0	-148.49	378.81	8.26	-140.23
CCS(=O)(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005659374	0	48	-2.0	-142.51	384.89	5.38	-137.13
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(=O)C1=CC=CS1	REAL300005659375	0	41	-2.0	-144.38	351.16	7.62	-136.76
CC(C)CN1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1=O	REAL300005659376	0	47	-2.0	-127.42	370.07	7.56	-119.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSCC1=CC=CN=C1)C2	REAL300005659377	0	40	-2.0	-128.88	352.71	8.49	-120.39
CCC(=O)NC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659378	0	44	-2.0	-143.89	356.06	7.46	-136.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(CC3=CC=CC=N3)C1)C2	REAL300005659379	0	47	-2.0	-134.98	388.25	7.45	-127.53
CCOC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659380	0	40	-2.0	-139.18	330.36	6.28	-132.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=C(C(F)(F)F)C=CC1=O)C2	REAL300005659381	0	40	-2.0	-127.89	357.11	8.28	-119.61
CC1=NC2=CC=CC=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659382	0	42	-2.0	-135.49	342.12	8.80	-126.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(CC3=CC=CC=C3)C1)C2	REAL300005659383	0	48	-2.0	-135.85	392.88	9.27	-126.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=NC3=CC=CC=C3C1=O)C2	REAL300005659384	0	42	-2.0	-150.28	359.34	9.03	-141.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(CC3=CC=CO3)C1)C2	REAL300005659385	0	45	-2.0	-135.95	374.06	7.41	-128.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=NC3=CC=CC=C3S1)C2	REAL300005659386	0	40	-2.0	-131.29	363.92	9.10	-122.19
CC1=CC=CC(N2N=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2=O)=C1	REAL300005659387	0	48	-2.0	-135.17	397.03	9.35	-125.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCCCCC1=O)C2	REAL300005659388	0	44	-2.0	-135.08	342.12	7.95	-127.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C(=O)COC3=CC=CC=C31)C2	REAL300005659389	0	43	-2.0	-141.30	356.71	7.68	-133.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CSCC1=O)C2	REAL300005659390	0	36	-2.0	-131.61	314.51	6.29	-125.32
CC(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005659391	0	44	-2.0	-132.29	343.00	7.06	-125.23
CC1=CC=CC2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN21	REAL300005659392	0	40	-2.0	-144.67	332.16	9.53	-135.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(C3CCCC3)C1)C2	REAL300005659393	0	48	-2.0	-129.48	371.72	8.08	-121.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)N(C3CC3)C1)C2	REAL300005659394	0	42	-2.0	-134.37	338.17	6.89	-127.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3CCCC3=O)C=C1)C2	REAL300005659395	0	48	-2.0	-140.86	390.56	9.14	-131.72
CC(=O)NC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005659396	0	50	-2.0	-134.77	400.03	8.98	-125.79
CC1=CC2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN2C=C1	REAL300005659397	0	40	-2.0	-144.99	333.02	9.68	-135.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3=CC=CN=C3)=N1)C2	REAL300005659398	0	42	-2.0	-133.66	372.13	8.07	-125.59
CSC1=NC(C)=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005659399	0	48	-2.0	-130.70	398.45	9.24	-121.46
CC(C)(C)OC(=O)NCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659400	0	47	-2.0	-133.50	376.71	5.71	-127.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C3=CC=CC=C3OCCC1=O)C2	REAL300005659401	0	46	-2.0	-135.63	380.04	8.18	-127.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3=CSC=C3)=N1)C2	REAL300005659402	0	40	-2.0	-130.61	368.15	8.77	-121.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NN=C(C3=CC=CC=C3)O1)C2	REAL300005659403	0	45	-2.0	-133.91	383.15	5.71	-128.20
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC2=C1C(=O)N(C)C=N2	REAL300005659404	0	42	-2.0	-139.02	353.76	8.48	-130.54
COC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659405	0	38	-2.0	-138.22	311.21	7.78	-130.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CNC3=CC=CC=C13)C2	REAL300005659406	0	41	-2.0	-138.55	346.10	8.80	-129.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3C=CC=CC3=N1)C2	REAL300005659407	0	37	-2.0	-144.86	311.58	9.02	-135.84
CC1SC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2NC1=O	REAL300005659408	0	43	-2.0	-127.20	363.07	7.63	-119.57
CCN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005659409	0	45	-2.0	-131.93	366.59	8.69	-123.24
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC1=O	REAL300005659410	0	36	-2.0	-126.82	305.12	5.50	-121.32
COCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005659411	0	44	-2.0	-136.10	365.09	8.40	-127.70
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659412	0	43	-2.0	-144.90	365.49	5.72	-139.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC=C1F)C2	REAL300005659413	0	34	-2.0	-131.62	295.70	7.97	-123.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NOC3=CC=CC=C31)C2	REAL300005659414	0	39	-2.0	-130.69	337.54	8.07	-122.62
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=C(N=CN(C)C2=O)O1	REAL300005659415	0	42	-2.0	-142.93	359.62	6.57	-136.36
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1=O	REAL300005659416	0	38	-2.0	-128.95	318.30	5.35	-123.60
CC1=NOC2=NC(C)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005659417	0	41	-2.0	-131.80	338.99	5.26	-126.54
CC(C)N1N=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C21	REAL300005659418	0	45	-2.0	-123.65	370.02	8.45	-115.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3OCCC3=C1)C2	REAL300005659419	0	42	-2.0	-132.42	346.11	8.79	-123.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(=O)NC3=CC=CC=C31)C2	REAL300005659420	0	42	-2.0	-136.12	347.09	7.10	-129.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3N=CC=CN3N=C1)C2	REAL300005659421	0	36	-2.0	-145.31	302.40	6.69	-138.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC=CC3=C1)C2	REAL300005659422	0	38	-2.0	-138.22	309.51	7.71	-130.51
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)N1	REAL300005659423	0	37	-2.0	-155.23	314.44	5.57	-149.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3C=CNC3=C1)C2	REAL300005659424	0	38	-2.0	-136.29	313.77	7.86	-128.43
CN1N=NC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005659425	0	39	-2.0	-138.12	327.58	6.33	-131.79
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC1=O	REAL300005659426	0	37	-2.0	-125.94	314.50	6.89	-119.05
CN1C(=O)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005659427	0	43	-2.0	-135.84	354.73	8.75	-127.09
N#CCC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659428	0	38	-2.0	-135.51	321.58	8.92	-126.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1OCO3)C2	REAL300005659429	0	37	-2.0	-131.64	309.93	6.61	-125.03
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659430	0	42	-2.0	-131.19	353.59	9.66	-121.53
CC1=NSC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005659431	0	38	-2.0	-122.03	325.40	6.52	-115.51
NC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005659432	0	37	-2.0	-132.71	313.50	3.71	-129.00
CC1=NN=C2C=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN12	REAL300005659433	0	39	-2.0	-126.78	332.60	9.21	-117.57
NC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005659434	0	35	-2.0	-126.32	308.28	3.74	-122.58
CC1OC2=C(C=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC1=O	REAL300005659435	0	43	-2.0	-131.21	353.69	6.73	-124.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CC3)S1)C2	REAL300005659436	0	37	-2.0	-126.80	319.77	7.50	-119.30
CCN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC1=O	REAL300005659437	0	39	-2.0	-126.51	325.95	6.41	-120.10
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CO1	REAL300005659438	0	39	-2.0	-133.77	320.57	5.71	-128.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(C3CC3)=N1)C2	REAL300005659439	0	39	-2.0	-131.79	326.27	8.36	-123.43
CC1=NOC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659440	0	36	-2.0	-125.77	311.62	7.20	-118.57
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CN1C=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659466	0	38	-2.0	-134.46	326.10	7.21	-127.25
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COC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1	REAL300005659479	0	46	-2.0	-131.31	381.43	7.98	-123.33
CC(=O)C1=CN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659480	0	40	-2.0	-146.47	330.39	7.79	-138.68
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CCN1C(=O)N(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005659483	0	47	-2.0	-137.56	391.61	10.59	-126.97
COC1=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005659484	0	46	-2.0	-132.43	372.25	8.15	-124.28
CC1=NN(C)C(C)=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659485	0	46	-2.0	-130.10	375.71	8.42	-121.68
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659486	0	43	-2.0	-133.43	368.25	9.48	-123.95
CC(=O)NC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CS1	REAL300005659487	0	44	-2.0	-131.49	380.17	7.58	-123.91
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CC1=CC=C(C2=CN=C(CCC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)O2)C=C1	REAL300005659489	0	49	-2.0	-132.72	408.19	8.90	-123.82
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659490	0	41	-2.0	-131.13	360.84	8.21	-122.92
CN1C(=O)N(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005659491	0	44	-2.0	-140.37	372.59	9.60	-130.77
CC(=O)NC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659492	0	45	-2.0	-136.81	375.35	8.32	-128.49
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300005659493	0	43	-2.0	-145.27	381.96	6.63	-138.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C3NC(=O)CCC3=C1)C2	REAL300005659494	0	46	-2.0	-133.67	378.97	8.05	-125.62
CC(C)(C)C(=O)NCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659495	0	46	-2.0	-135.59	369.74	6.33	-129.26
CC(C)C1=NOC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659496	0	44	-2.0	-129.64	365.49	6.42	-123.22
COC1=CC=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659497	0	42	-2.0	-133.48	348.62	8.16	-125.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(CC3=CC=CC=C3)C(=O)CC1)C2	REAL300005659498	0	48	-2.0	-133.05	398.28	9.25	-123.80
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1	REAL300005659499	0	45	-2.0	-143.95	384.90	6.65	-137.30
COC1=CC=CC(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659500	0	42	-2.0	-130.99	358.21	8.72	-122.27
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659501	0	42	-2.0	-130.21	348.51	8.87	-121.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CN=CO3)C=C1)C2	REAL300005659502	0	40	-2.0	-133.30	336.78	6.09	-127.21
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659503	0	46	-2.0	-133.82	381.98	6.72	-127.10
CNC(=O)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659504	0	45	-2.0	-137.66	375.75	7.70	-129.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(C(=O)NC3CC3)C=C1)C2	REAL300005659505	0	49	-2.0	-133.66	407.36	9.41	-124.25
CC1=NN(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)CC1	REAL300005659506	0	46	-2.0	-136.85	372.53	9.13	-127.72
CN(C)C(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005659507	0	49	-2.0	-128.48	369.77	7.09	-121.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(C(=O)N3CCCC3)CC1)C2	REAL300005659508	0	53	-2.0	-128.62	399.89	8.46	-120.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN(C(=O)N3CCCC3)C1)C2	REAL300005659509	0	53	-2.0	-141.19	397.96	7.86	-133.33
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1S(C)(=O)=O	REAL300005659510	0	43	-2.0	-148.25	351.09	5.87	-142.38
CC1=NN2C(=C1C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)N=C(C)C=C2C	REAL300005659511	0	45	-2.0	-149.53	375.47	8.79	-140.74
CN1C=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659512	0	40	-2.0	-131.38	334.42	7.53	-123.85
CC1=CN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005659513	0	37	-2.0	-142.14	315.77	6.62	-135.52
CSC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005659514	0	41	-2.0	-146.13	352.06	10.08	-136.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(N3C=CC=C3)=C1)C2	REAL300005659515	0	42	-2.0	-134.91	340.30	10.54	-124.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=CC=C3)=C1)C2	REAL300005659516	0	40	-2.0	-134.64	339.95	9.34	-125.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC(=O)CCC3=C1)C2	REAL300005659517	0	42	-2.0	-131.19	339.07	6.94	-124.25
C=CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005659518	0	46	-2.0	-130.32	372.81	8.48	-121.84
CC(=O)N1CCC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005659519	0	45	-2.0	-127.15	359.50	8.63	-118.52
CN1C=C(Br)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659520	0	35	-2.0	-130.90	308.29	7.97	-122.93
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CC(C)=CC1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1(C)C	REAL300005659527	0	47	-2.0	-131.15	366.32	10.38	-120.77
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CC(=O)NC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005659529	0	47	-2.0	-133.52	363.18	6.83	-126.69
COC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C	REAL300005659530	0	44	-2.0	-132.00	359.79	9.00	-123.00
COC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005659531	0	44	-2.0	-130.51	367.34	9.12	-121.39
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CC(C)C1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659533	0	49	-2.0	-129.52	391.84	11.68	-117.84
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CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659582	0	44	-2.0	-128.94	351.61	9.59	-119.35
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659583	0	41	-2.0	-128.79	355.20	9.86	-118.93
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CC(C)C1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659588	0	43	-2.0	-126.42	343.77	7.52	-118.90
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CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CO1	REAL300005659590	0	36	-2.0	-133.52	300.57	5.08	-128.44
CC1=NOC(C2=CC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659591	0	42	-2.0	-148.84	352.60	8.05	-140.79
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005659592	0	36	-2.0	-133.11	310.07	3.78	-129.33
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CC1=CC=CC=C1N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005659595	0	44	-2.0	-134.58	360.33	9.89	-124.69
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CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005659597	0	43	-2.0	-139.90	357.58	10.06	-129.84
COC1=CC=CC=C1CC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659598	0	50	-2.0	-132.56	374.83	9.54	-123.02
COCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659599	0	45	-2.0	-135.86	367.18	7.24	-128.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCCCO1)C2	REAL300005659600	0	44	-2.0	-135.21	349.70	7.48	-127.73
CC(CSC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659601	0	44	-2.0	-129.57	368.22	10.63	-118.94
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CCC(OC1CCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659604	0	47	-2.0	-129.78	365.98	9.62	-120.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(NC3=CN=CC=N3)=C1)C2	REAL300005659605	0	44	-2.0	-132.37	359.04	7.21	-125.16
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CC(C)N1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659607	0	40	-2.0	-136.98	327.85	7.55	-129.43
CS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005659608	0	37	-2.0	-136.39	331.35	3.78	-132.61
CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005659609	0	44	-2.0	-129.34	350.64	8.72	-120.62
CCN(CC)S(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659610	0	44	-2.0	-136.37	367.01	5.01	-131.36
CC1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659611	0	37	-2.0	-128.65	301.32	6.14	-122.51
CC1CCCC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005659612	0	47	-2.0	-131.77	365.44	9.68	-122.09
CC1=NOC(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659613	0	39	-2.0	-136.38	336.27	4.97	-131.41
CC1CCC(=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005659614	0	44	-2.0	-131.64	339.69	9.58	-122.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=CN3N=CC=C3C1=O)C2	REAL300005659615	0	39	-2.0	-142.64	342.49	6.91	-135.73
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005659616	0	39	-2.0	-141.18	317.03	3.45	-137.73
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005659617	0	46	-2.0	-126.56	371.12	6.89	-119.67
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CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OCC	REAL300005659619	0	48	-2.0	-130.34	381.77	8.81	-121.53
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005659620	0	42	-2.0	-130.50	338.06	6.98	-123.52
CC1CCC2=C(C1)C1=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C1N2	REAL300005659621	0	51	-2.0	-137.20	395.03	10.82	-126.38
CCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005659622	0	46	-2.0	-128.40	367.88	10.76	-117.64
CC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005659623	0	38	-2.0	-131.68	326.95	8.38	-123.30
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NC(=O)NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659625	0	40	-2.0	-142.61	330.74	3.77	-138.84
CC1=CC(C)=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005659626	0	47	-2.0	-131.88	382.33	11.00	-120.88
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CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659628	0	39	-2.0	-130.79	329.74	9.17	-121.62
CC(=O)NCCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659629	0	46	-2.0	-135.62	375.49	6.66	-128.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3CCCO3)C=C1)C2	REAL300005659630	0	49	-2.0	-137.32	390.52	8.34	-128.98
CC1=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005659631	0	50	-2.0	-131.45	396.76	11.33	-120.12
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CC(C)(C)C1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659668	0	43	-2.0	-125.58	343.94	7.19	-118.39
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CCC1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659674	0	37	-2.0	-125.43	305.07	6.05	-119.38
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CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659675	0	37	-2.0	-131.97	300.85	8.42	-123.55
CSC1=CC=C(OC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659676	0	45	-2.0	-129.59	372.30	10.26	-119.33
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659677	0	48	-2.0	-144.01	393.11	9.20	-134.81
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CSC=C1	REAL300005659679	0	37	-2.0	-126.47	315.85	8.12	-118.35
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CS1	REAL300005659680	0	37	-2.0	-132.72	317.01	7.97	-124.75
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CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300005659682	0	43	-2.0	-133.18	335.21	9.73	-123.45
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005659683	0	46	-2.0	-128.39	383.78	11.17	-117.22
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300005659684	0	49	-2.0	-130.46	385.54	11.43	-119.03
CC(CC1=CC=CC=C1F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659685	0	43	-2.0	-130.02	353.41	10.11	-119.91
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300005659686	0	46	-2.0	-134.90	377.88	10.98	-123.92
CC(C)C(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659687	0	49	-2.0	-130.68	369.83	10.67	-120.01
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659688	0	46	-2.0	-128.17	385.87	11.06	-117.11
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659689	0	46	-2.0	-128.99	385.94	11.05	-117.94
CC(C)C1=CC=C(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659690	0	52	-2.0	-128.98	405.28	12.12	-116.86
CC1=CSC(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)=N1	REAL300005659691	0	43	-2.0	-130.53	365.57	9.22	-121.31
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005659692	0	43	-2.0	-132.11	345.55	10.18	-121.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC(Cl)=CS1)C2	REAL300005659693	0	37	-2.0	-124.24	341.96	9.30	-114.94
CC1=CC=CC(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659694	0	43	-2.0	-129.95	345.90	10.01	-119.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1OC1CCCCC1)C2	REAL300005659695	0	51	-2.0	-137.36	393.35	11.29	-126.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CS3)CCCCC1)C2	REAL300005659696	0	47	-2.0	-134.64	365.19	10.22	-124.42
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CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(C)C)=N1	REAL300005659698	0	46	-2.0	-129.58	364.30	8.29	-121.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCCCC3)NC1=O)C2	REAL300005659699	0	47	-2.0	-140.34	371.48	7.93	-132.41
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CCC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659701	0	43	-2.0	-131.10	353.11	10.40	-120.70
CC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005659702	0	36	-2.0	-129.98	300.33	4.27	-125.71
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659703	0	48	-2.0	-148.19	394.08	8.73	-139.46
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CCCCSCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659705	0	43	-2.0	-127.70	359.40	9.67	-118.03
CC1=NOC(C)=C1CC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659706	0	45	-2.0	-128.79	360.68	8.73	-120.06
CN1C=C(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=N1	REAL300005659707	0	44	-2.0	-137.45	359.41	9.04	-128.41
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CC(C)=CCSC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659709	0	48	-2.0	-138.39	392.09	11.60	-126.79
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659710	0	46	-2.0	-133.26	384.00	3.65	-129.61
CC(C)=CCOC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659711	0	48	-2.0	-134.14	382.99	10.01	-124.13
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CC(C)COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659715	0	50	-2.0	-131.38	403.18	10.67	-120.71
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300005659716	0	44	-2.0	-130.78	356.48	8.72	-122.06
CSC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005659717	0	35	-2.0	-134.13	307.64	7.85	-126.28
COC1=CC=CC=C1CC(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659718	0	50	-2.0	-132.29	394.67	10.32	-121.97
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COC1=CC=C(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659721	0	44	-2.0	-130.14	353.98	8.63	-121.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CC=CN3N=C1)C2	REAL300005659722	0	37	-2.0	-141.43	307.50	7.50	-133.93
CCC1=C2NC=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=CC=C1	REAL300005659723	0	47	-2.0	-136.52	388.52	10.01	-126.51
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1S(N)(=O)=O	REAL300005659724	0	42	-2.0	-132.72	348.90	3.46	-129.26
COC1=CC=CC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCC2)=C1	REAL300005659725	0	51	-2.0	-128.26	387.51	9.54	-118.72
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CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659851	0	44	-2.0	-134.77	372.41	9.67	-125.10
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CCC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005659858	0	49	-2.0	-130.43	374.29	11.65	-118.78
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CCCC1=C(CC)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005659863	0	46	-2.0	-133.26	378.91	9.99	-123.27
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CCOC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005659865	0	49	-2.0	-132.78	399.83	9.55	-123.23
CC1=NOC(C)=C1CSCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659866	0	43	-2.0	-127.67	375.15	9.06	-118.61
CSCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005659867	0	44	-2.0	-135.94	376.15	10.56	-125.38
CC1=CC=CC(CSCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659868	0	44	-2.0	-127.45	379.28	10.95	-116.50
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CC(C)SC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659873	0	44	-2.0	-139.02	358.28	10.19	-128.83
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C(C)C	REAL300005659874	0	47	-2.0	-137.56	358.61	9.67	-127.89
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CC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005659876	0	41	-2.0	-131.95	354.77	10.51	-121.44
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CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659881	0	44	-2.0	-130.90	341.90	9.17	-121.73
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659882	0	38	-2.0	-133.37	308.82	7.05	-126.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300005659883	0	47	-2.0	-133.02	384.43	12.36	-120.66
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COC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005659885	0	49	-2.0	-129.70	405.36	8.00	-121.70
CCCCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659886	0	50	-2.0	-133.59	398.05	10.33	-123.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C2	REAL300005659887	0	36	-2.0	-126.34	325.22	8.99	-117.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(Cl)C(Cl)=C1)C2	REAL300005659888	0	37	-2.0	-128.35	342.13	9.92	-118.43
CC1=CC=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659889	0	40	-2.0	-132.48	322.73	9.19	-123.29
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1	REAL300005659890	0	40	-2.0	-131.13	322.14	9.08	-122.05
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COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC)=C1OC	REAL300005659895	0	46	-2.0	-128.75	375.63	7.92	-120.83
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CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005659897	0	39	-2.0	-124.44	323.77	8.94	-115.50
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CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659899	0	44	-2.0	-130.34	352.21	9.62	-120.72
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CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005659902	0	40	-2.0	-130.71	322.02	8.98	-121.73
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005659903	0	45	-2.0	-133.18	368.96	8.14	-125.04
CSC1=CC=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659904	0	38	-2.0	-133.91	337.97	9.41	-124.50
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CCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005659906	0	40	-2.0	-134.57	326.00	8.82	-125.75
CCCCC(CC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659907	0	45	-2.0	-131.11	350.27	9.28	-121.83
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COC1=CC=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659910	0	42	-2.0	-132.18	348.83	8.71	-123.47
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CC(C)C1=NC=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005659980	0	41	-2.0	-131.49	349.02	8.32	-123.17
CC(=O)C1=CC=CC(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005659981	0	49	-2.0	-139.68	404.35	9.83	-129.85
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CC(C)(C)C(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005659994	0	43	-2.0	-128.44	347.60	5.66	-122.78
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CC1=CC=C(SCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660012	0	44	-2.0	-129.79	371.81	10.89	-118.90
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)O1	REAL300005660013	0	37	-2.0	-131.39	304.94	7.53	-123.86
CCCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660014	0	47	-2.0	-133.69	376.55	9.55	-124.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCSC1=CC=CC=C1Cl)C2	REAL300005660015	0	41	-2.0	-129.66	365.42	10.66	-119.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC(C(F)(F)F)=C1)C2	REAL300005660016	0	41	-2.0	-131.18	357.84	9.86	-121.32
CC1=CC=C(C)C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660017	0	44	-2.0	-131.52	360.61	10.24	-121.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1C1=CC=CC=C1)C2	REAL300005660018	0	48	-2.0	-134.60	397.87	12.56	-122.04
CC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005660019	0	44	-2.0	-131.95	357.52	10.08	-121.87
CC1=CC=C(C(C)C)C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660020	0	50	-2.0	-132.25	399.15	11.50	-120.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCSC1=CC=C(Cl)C=C1)C2	REAL300005660021	0	41	-2.0	-128.02	367.13	10.73	-117.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1F)C2	REAL300005660022	0	38	-2.0	-134.90	325.36	8.92	-125.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(Br)C=C1)C2	REAL300005660023	0	38	-2.0	-129.22	340.42	9.49	-119.73
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660024	0	45	-2.0	-137.38	377.81	5.42	-131.96
CCC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660025	0	44	-2.0	-131.01	362.02	10.31	-120.70
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1CC1	REAL300005660026	0	45	-2.0	-137.46	353.21	9.94	-127.52
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300005660027	0	44	-2.0	-134.42	351.81	6.70	-127.72
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1CC1=CC=CO1	REAL300005660028	0	48	-2.0	-139.43	388.15	10.50	-128.93
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1CC1=CC=CC=C1	REAL300005660029	0	51	-2.0	-137.58	399.56	12.15	-125.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=CC(=O)NC1=O)C2	REAL300005660030	0	37	-2.0	-146.76	322.59	4.37	-142.39
CC(NC(=O)C1=COC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660031	0	41	-2.0	-132.91	345.88	5.31	-127.60
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660032	0	48	-2.0	-141.43	388.90	10.42	-131.01
CC(=O)NC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C	REAL300005660033	0	44	-2.0	-143.11	354.27	7.54	-135.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C1=CC=CS1)C2	REAL300005660034	0	39	-2.0	-130.53	359.48	3.57	-126.96
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005660035	0	38	-2.0	-142.05	327.94	3.39	-138.66
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660036	0	44	-3.0	-211.27	373.20	5.65	-205.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCNC(=O)C1CC1)C2	REAL300005660037	0	44	-2.0	-133.61	363.32	6.67	-126.94
COC1=CC=C(SC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660038	0	45	-2.0	-129.81	379.31	9.31	-120.50
CC(SC1=CC=CC=C1Cl)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660039	0	41	-2.0	-129.31	357.29	10.23	-119.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(C3=CC=CC=C3)N1)C2	REAL300005660040	0	48	-2.0	-131.07	394.42	11.05	-120.02
CC1=NC2=CC(F)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2N=C1C	REAL300005660041	0	44	-2.0	-141.22	362.61	7.64	-133.58
CCSCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660042	0	44	-2.0	-132.83	370.09	10.47	-122.36
COC1=CC=CC2=C1OCC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=C2	REAL300005660043	0	44	-2.0	-130.17	368.80	8.20	-121.97
CC(C)NC(=O)NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660044	0	49	-2.0	-141.05	395.84	6.90	-134.15
CC(C)(C)CC(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660045	0	46	-2.0	-128.02	362.36	6.31	-121.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=CC3=CC=CC=C31)C2	REAL300005660046	0	41	-2.0	-134.36	347.35	10.17	-124.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOC1=CC=CC(F)=C1)C2	REAL300005660047	0	44	-2.0	-132.57	367.99	9.41	-123.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=C(C3=CC=CC=C3)C=CC1=O)C2	REAL300005660048	0	46	-2.0	-143.64	389.98	8.92	-134.72
COCCOC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660049	0	45	-2.0	-144.67	366.69	8.02	-136.65
COCCOC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660050	0	45	-2.0	-137.67	364.30	7.25	-130.42
CC1=CC=C(C)N1C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005660051	0	48	-2.0	-133.07	391.75	10.42	-122.65
CCCC(=O)N1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660052	0	47	-2.0	-153.60	371.20	8.97	-144.63
CCCC(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660053	0	50	-2.0	-147.95	390.33	8.30	-139.65
CCCC(=O)N1CCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660054	0	50	-2.0	-147.58	384.27	10.01	-137.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C2	REAL300005660055	0	39	-2.0	-142.95	346.07	7.77	-135.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=C(C1CC1)C1CC1)C2	REAL300005660056	0	42	-2.0	-134.57	335.20	9.50	-125.07
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1C1=CC(C)=CC=C1	REAL300005660057	0	46	-2.0	-137.13	377.35	9.24	-127.89
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005660058	0	43	-2.0	-128.94	351.44	10.25	-118.69
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005660059	0	41	-2.0	-129.20	345.87	10.28	-118.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC3=CC=CC=C3C=C1)C2	REAL300005660060	0	46	-2.0	-131.57	377.73	12.00	-119.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=CC(Cl)=C3)N=C1)C2	REAL300005660061	0	41	-2.0	-131.68	355.87	9.44	-122.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=CC(Cl)=C3)C=C1)C2	REAL300005660062	0	41	-2.0	-134.69	360.58	10.06	-124.63
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005660063	0	40	-2.0	-131.87	327.23	8.82	-123.05
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660064	0	50	-2.0	-147.37	404.41	10.46	-136.91
CC(OCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660065	0	44	-2.0	-132.57	359.63	9.83	-122.74
COC1=CC=C2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)COC2=C1	REAL300005660066	0	46	-2.0	-127.87	372.02	7.52	-120.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCCC1=CC=CC=C1)C2	REAL300005660067	0	44	-2.0	-131.31	366.18	10.14	-121.17
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005660068	0	48	-2.0	-131.77	387.44	10.81	-120.96
COC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660069	0	45	-2.0	-133.38	364.42	8.79	-124.59
CC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660070	0	44	-2.0	-133.76	354.61	10.31	-123.45
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C2=CC=CO2)O1	REAL300005660071	0	43	-2.0	-147.70	372.47	5.64	-142.06
COCC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660072	0	41	-2.0	-132.19	334.51	7.47	-124.72
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660073	0	41	-2.0	-137.06	333.90	9.54	-127.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(OC(F)F)C=C1)C2	REAL300005660074	0	41	-2.0	-134.52	349.47	8.53	-125.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)C3=C(SC=C3)S1)C2	REAL300005660075	0	34	-2.0	-130.35	323.37	8.81	-121.54
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300005660076	0	40	-2.0	-133.30	335.86	9.89	-123.41
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Br	REAL300005660077	0	38	-2.0	-128.33	329.24	7.71	-120.62
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)S1	REAL300005660078	0	37	-2.0	-131.22	315.17	8.37	-122.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=C3OCCCOC3=C1)C2	REAL300005660079	0	43	-2.0	-129.59	358.15	8.22	-121.37
CC1=CC(N2C(C)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C)=NO1	REAL300005660080	0	47	-2.0	-136.92	381.46	10.76	-126.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(C2=CC=CC=C2)=N1	REAL300005660081	0	43	-2.0	-127.88	368.27	9.02	-118.86
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(C2=CC=CS2)=N1	REAL300005660082	0	40	-2.0	-129.35	360.61	8.13	-121.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300005660083	0	40	-2.0	-141.41	348.12	9.39	-132.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=CC=C(F)C(F)=C1)C2	REAL300005660084	0	38	-2.0	-127.76	341.42	9.54	-118.22
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660085	0	48	-2.0	-157.47	389.12	9.20	-148.27
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1CCCCC1	REAL300005660086	0	54	-2.0	-136.36	397.67	11.51	-124.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3=CC=CS3)=N1)C2	REAL300005660087	0	40	-2.0	-132.06	368.74	8.87	-123.19
CCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005660088	0	37	-2.0	-129.33	314.83	8.53	-120.80
COC1=CC=C(C)C=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660089	0	44	-2.0	-135.53	363.91	8.77	-126.76
CC1=CC=C(C2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC=C2)C=C1	REAL300005660090	0	44	-2.0	-133.52	366.96	11.22	-122.30
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660091	0	40	-2.0	-131.27	331.62	9.63	-121.64
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SN=N1	REAL300005660092	0	35	-2.0	-122.65	300.50	5.81	-116.84
COC1=CC=C(C)C=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660093	0	45	-2.0	-135.02	369.10	9.45	-125.57
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660094	0	53	-2.0	-131.50	412.00	11.85	-119.65
CC1=CC=C(Cl)C(OC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660095	0	44	-2.0	-132.02	369.16	10.43	-121.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(F)C(Cl)=C1)C2	REAL300005660096	0	38	-2.0	-129.52	341.71	9.43	-120.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC(Br)=C1)C2	REAL300005660097	0	38	-2.0	-129.88	340.65	10.03	-119.85
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300005660098	0	51	-2.0	-136.39	406.90	12.52	-123.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCCCC3)S1)C2	REAL300005660099	0	44	-2.0	-132.22	351.48	10.11	-122.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CNC3=CC=CC=C13)C2	REAL300005660100	0	44	-2.0	-134.80	363.52	9.80	-125.00
CC1=CC(C)=NC(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660101	0	42	-2.0	-129.96	367.67	8.16	-121.80
CC1CCC2=C(C1)SC=C2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660102	0	44	-2.0	-132.42	350.12	9.97	-122.45
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660103	0	47	-2.0	-131.20	381.61	9.87	-121.33
CCOC1=CC=C(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660104	0	51	-2.0	-132.51	412.93	9.56	-122.95
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CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005660191	0	43	-2.0	-129.72	336.73	9.72	-120.00
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(Br)C=C1)C2	REAL300005660202	0	38	-2.0	-129.65	340.64	10.04	-119.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCSC1=CC=C(F)C=C1)C2	REAL300005660203	0	41	-2.0	-128.19	356.81	10.28	-117.91
CCC1=C(C)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005660204	0	40	-2.0	-133.50	337.61	8.52	-124.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=CC=CC=C1Cl)C2	REAL300005660205	0	38	-2.0	-130.53	343.75	9.87	-120.66
CC1=CC=C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660206	0	41	-2.0	-126.00	353.37	10.05	-115.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C2	REAL300005660207	0	41	-2.0	-129.76	358.05	10.41	-119.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCNC(=O)CC1=CC=CC=C1)C2	REAL300005660208	0	47	-2.0	-137.86	391.30	8.08	-129.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1SCCC3=C1C=CS3)C2	REAL300005660209	0	39	-2.0	-134.40	338.70	9.30	-125.10
CC(C)OCCS(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660210	0	48	-2.0	-132.77	403.96	3.10	-129.67
CCC1=CC=C(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660211	0	46	-2.0	-130.02	367.38	10.79	-119.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC(C(F)F)=NC3=C1)C2	REAL300005660212	0	40	-2.0	-135.73	344.26	7.50	-128.23
CC(C)C1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005660213	0	39	-2.0	-137.38	331.23	7.59	-129.79
CC(C)(C)C1=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005660214	0	45	-2.0	-128.16	380.19	8.38	-119.78
CC(=O)N(CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005660215	0	50	-2.0	-128.84	401.89	10.11	-118.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C3=CC=CC=C3CCCC1=O)C2	REAL300005660216	0	48	-2.0	-136.75	380.88	10.20	-126.55
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660217	0	50	-2.0	-137.33	381.96	11.19	-126.14
COC1=CC=CC=C1C1CC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660218	0	45	-2.0	-135.77	365.91	9.61	-126.16
CCN(CC)C(=O)CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660219	0	49	-2.0	-139.25	390.86	8.94	-130.31
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=C([N+](=O)[O-])C=N1	REAL300005660220	0	42	-2.0	-141.27	350.37	8.27	-133.00
CC1=NN(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300005660221	0	45	-2.0	-127.45	385.92	8.73	-118.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=CC=C3)C(C3CC3)=N1)C2	REAL300005660222	0	47	-2.0	-140.49	389.51	11.32	-129.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCC1C(=O)N1CCCC1)C2	REAL300005660223	0	54	-2.0	-154.70	415.93	9.41	-145.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCOC3=CC=CC=C31)C2	REAL300005660224	0	42	-2.0	-135.26	341.91	8.34	-126.92
CCC(CC)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005660225	0	49	-2.0	-133.76	372.40	11.01	-122.75
CC1=CC=CC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCC2)=C1	REAL300005660226	0	50	-2.0	-128.06	379.43	10.91	-117.15
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005660227	0	43	-2.0	-133.61	350.09	10.20	-123.41
CN1C=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C21	REAL300005660228	0	41	-2.0	-145.11	335.61	9.48	-135.63
COC1=CC=CC=C1C(C)=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660229	0	45	-2.0	-132.89	368.36	9.56	-123.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CO3)S1)C2	REAL300005660230	0	37	-2.0	-130.04	329.62	6.95	-123.09
CC(C)(C)CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660231	0	45	-2.0	-129.10	348.43	9.21	-119.89
CCN(C)C(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660232	0	47	-2.0	-139.17	371.50	8.59	-130.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=CC=C3)C=C1)C2	REAL300005660233	0	45	-2.0	-135.52	371.70	10.94	-124.58
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660234	0	49	-2.0	-132.97	408.22	8.83	-124.14
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)N2N=CC=C2N1	REAL300005660235	0	43	-2.0	-160.88	359.09	7.22	-153.66
CC(C)OC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660236	0	44	-2.0	-140.11	350.78	9.35	-130.76
CNC(=O)C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005660237	0	41	-2.0	-133.09	333.58	4.80	-128.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(OC(F)F)C=CS1)C2	REAL300005660238	0	35	-2.0	-133.70	310.36	7.37	-126.33
CC(=O)C1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660239	0	36	-2.0	-128.95	320.53	6.97	-121.98
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005660240	0	35	-2.0	-136.85	298.58	7.16	-129.69
CC1=CC=C(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C(F)=C2)C=C1	REAL300005660241	0	47	-2.0	-136.08	383.86	11.97	-124.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(Cl)=C1)C2	REAL300005660242	0	37	-2.0	-131.33	326.94	9.46	-121.87
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005660243	0	43	-2.0	-129.52	347.07	10.18	-119.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=CC=C1)C2	REAL300005660244	0	43	-2.0	-131.13	353.10	10.54	-120.59
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005660245	0	37	-2.0	-130.61	314.87	8.86	-121.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Br)C=CS1)C2	REAL300005660246	0	31	-2.0	-128.02	288.22	7.47	-120.55
COC1=CC=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005660247	0	51	-2.0	-134.65	387.34	9.67	-124.98
COC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660248	0	47	-2.0	-132.35	382.61	9.85	-122.50
CC1=CC=C(C)C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660249	0	43	-2.0	-130.98	352.37	9.90	-121.08
CN1N=C(C(C)(C)C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660250	0	46	-2.0	-126.71	363.80	8.13	-118.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=C3Cl)=NN1)C2	REAL300005660251	0	41	-2.0	-128.65	353.68	8.96	-119.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3=CC=CC=C3Cl)=C1)C2	REAL300005660251	1	41	-2.0	-133.80	359.88	8.67	-125.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC([N+](=O)[O-])=C3N1)C2	REAL300005660252	0	40	-2.0	-140.57	339.36	9.06	-131.51
CC(C)C1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660253	0	40	-2.0	-125.27	323.91	6.59	-118.68
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005660253	1	40	-2.0	-135.00	326.55	6.71	-128.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=C(F)C=C3)=NN1)C2	REAL300005660254	0	41	-2.0	-124.94	347.73	8.37	-116.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3=CC=C(F)C=C3)=C1)C2	REAL300005660254	1	41	-2.0	-131.54	351.37	8.36	-123.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CNC3=CC=C1)C2	REAL300005660255	0	38	-2.0	-142.38	313.87	7.88	-134.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300005660256	0	41	-2.0	-130.10	356.21	8.75	-121.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC([N+](=O)[O-])=C1)C2	REAL300005660257	0	40	-2.0	-134.36	347.33	9.53	-124.83
CC(OC1=CC=CC=C1Cl)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660258	0	41	-2.0	-131.41	348.79	9.80	-121.61
CC1=CC(Br)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660259	0	37	-2.0	-128.27	322.00	9.06	-119.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NN1)C2	REAL300005660260	0	38	-2.0	-126.85	315.94	6.79	-120.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3CC3)=C1)C2	REAL300005660260	1	38	-2.0	-135.04	317.95	6.91	-128.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1SC(F)(F)F)C2	REAL300005660261	0	38	-2.0	-132.27	336.54	9.24	-123.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC(Cl)=C3)=NN1)C2	REAL300005660262	0	41	-2.0	-125.47	358.05	8.81	-116.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3=CC=CC(Cl)=C3)=C1)C2	REAL300005660262	1	41	-2.0	-134.67	359.12	8.80	-125.87
CC1=CC(F)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660263	0	37	-2.0	-129.71	307.15	8.49	-121.22
CCN1N=C(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660264	0	40	-2.0	-126.50	325.30	7.10	-119.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC3=C1CCCC3)C2	REAL300005660265	0	40	-2.0	-134.50	327.28	8.11	-126.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC(Br)=C1)C2	REAL300005660266	0	34	-2.0	-127.01	305.91	8.36	-118.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(C(F)(F)F)C=C1)C2	REAL300005660267	0	41	-2.0	-129.35	357.86	9.87	-119.48
CC1=CC=CC=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660268	0	43	-2.0	-129.19	348.38	10.28	-118.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(F)=C1Cl)C2	REAL300005660269	0	34	-2.0	-125.11	306.64	8.35	-116.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(OC(F)F)=C1)C2	REAL300005660270	0	41	-2.0	-134.13	349.47	8.53	-125.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CNC3=CC=C(F)C=C13)C2	REAL300005660271	0	41	-2.0	-136.04	352.11	8.66	-127.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1N1C=CC=N1)C2	REAL300005660272	0	41	-2.0	-144.17	336.36	9.49	-134.68
COC1=CC=C(Cl)C=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660273	0	42	-2.0	-134.18	364.42	9.29	-124.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC=C1OC(F)F)C2	REAL300005660274	0	41	-2.0	-133.39	352.25	8.38	-125.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC=C1Br)C2	REAL300005660275	0	40	-2.0	-129.01	347.76	10.18	-118.83
CC1=CC=C(F)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660276	0	37	-2.0	-131.94	310.69	8.57	-123.37
CC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660277	0	39	-2.0	-130.11	325.24	8.19	-121.92
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=NO1	REAL300005660278	0	43	-2.0	-134.07	368.81	10.22	-123.85
CCOC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660279	0	41	-2.0	-133.54	330.67	7.98	-125.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC=C1Br)C2	REAL300005660280	0	37	-2.0	-132.29	331.91	9.05	-123.24
CC1=C(Br)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660281	0	37	-2.0	-125.52	322.47	8.94	-116.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CNC3=CC(F)=CC=C13)C2	REAL300005660282	0	41	-2.0	-133.98	352.02	8.67	-125.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(Cl)C=C1Cl)C2	REAL300005660283	0	40	-2.0	-124.02	365.34	10.61	-113.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1CCCC1)C2	REAL300005660284	0	41	-2.0	-130.75	329.46	8.39	-122.36
CCCCC1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660285	0	52	-2.0	-132.13	392.33	10.59	-121.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=CC=CC=C1)C2	REAL300005660286	0	38	-2.0	-129.56	328.74	9.42	-120.14
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660287	0	50	-2.0	-132.54	409.67	10.66	-121.88
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660288	0	39	-2.0	-128.96	323.64	8.93	-120.03
COC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660289	0	44	-2.0	-126.84	364.35	8.99	-117.85
CC1=CC=CC(OC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660290	0	44	-2.0	-129.96	353.71	9.93	-120.03
CC1=C(C(C)C)C=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=COC2=C1	REAL300005660291	0	52	-2.0	-138.44	419.23	11.69	-126.75
CC1=CC=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=COC2=C1	REAL300005660292	0	43	-2.0	-135.45	363.48	9.78	-125.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=COC3=C1C1=C(C=CC=C1)C=C3)C2	REAL300005660293	0	46	-2.0	-138.91	383.02	11.00	-127.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=NC3=CC=CC=C3S1)C2	REAL300005660294	0	40	-2.0	-133.60	354.28	9.14	-124.46
CC1=CC=CC(C)=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660295	0	44	-2.0	-132.03	360.93	10.33	-121.70
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1OC(F)F	REAL300005660296	0	42	-2.0	-139.35	356.23	8.03	-131.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCNC(=O)C1=CC=CO1)C2	REAL300005660297	0	41	-2.0	-136.12	350.92	5.40	-130.72
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660298	0	45	-2.0	-128.07	380.80	5.04	-123.03
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660299	0	47	-2.0	-133.57	388.52	10.29	-123.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC(Br)=C1)C2	REAL300005660300	0	40	-2.0	-130.00	352.91	10.36	-119.64
COC1=CC=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=C1	REAL300005660301	0	42	-2.0	-132.44	341.94	7.54	-124.90
CC1=CC=CC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCCC2)=C1	REAL300005660302	0	53	-2.0	-135.57	392.88	11.48	-124.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC=C1C1=CC=CC=C1)C2	REAL300005660303	0	42	-2.0	-136.26	342.11	9.31	-126.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(N3C=CC=N3)C=C1)C2	REAL300005660304	0	44	-2.0	-134.29	368.57	10.15	-124.14
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660305	0	50	-2.0	-135.61	409.38	11.14	-124.47
CC1=CC=C(C2=NNC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)O1	REAL300005660306	0	41	-2.0	-126.73	346.34	7.25	-119.48
CC1=CC(C)=NN1C(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660307	0	46	-2.0	-128.24	370.80	8.63	-119.61
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660308	0	48	-2.0	-130.30	390.46	8.81	-121.49
CCOC1=CC=CC=C1C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005660308	1	48	-2.0	-138.70	395.14	8.72	-129.98
CC(C)(C)N1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1CC1	REAL300005660309	0	50	-2.0	-138.43	390.49	9.88	-128.55
CC1=CC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2)=CC(C)=C1	REAL300005660310	0	47	-2.0	-137.46	376.66	11.12	-126.34
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C(C)(C)C	REAL300005660311	0	46	-2.0	-141.84	358.49	8.36	-133.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)N=CS1)C2	REAL300005660312	0	30	-2.0	-130.78	285.06	5.00	-125.78
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005660313	0	49	-2.0	-135.97	368.18	8.33	-127.64
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC(Br)=C1	REAL300005660314	0	34	-2.0	-128.26	306.31	7.64	-120.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NC(=O)C4=CC=CC=C4N3N=C1)C2	REAL300005660315	0	43	-2.0	-133.64	356.32	7.63	-126.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC(C3=NC=CC=N3)=NO1)C2	REAL300005660316	0	43	-2.0	-134.85	376.45	5.59	-129.26
CCN1C=C(Br)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660317	0	38	-2.0	-131.74	329.34	8.84	-122.90
CC(C)N1C=C(Br)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660318	0	41	-2.0	-131.14	348.64	9.40	-121.74
CCC1=NC=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660319	0	38	-2.0	-129.21	311.77	7.19	-122.02
CC1=NN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1Cl	REAL300005660320	0	40	-2.0	-129.96	349.12	7.85	-122.11
CC1=NC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660322	0	35	-2.0	-132.59	294.88	6.60	-125.99
CCCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005660323	0	49	-2.0	-132.96	393.84	9.41	-123.55
CC1=NN2C=CC=NC2=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660324	0	39	-2.0	-147.04	332.61	7.62	-139.42
CCCSCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660325	0	37	-2.0	-129.29	316.23	8.10	-121.19
CCCS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660326	0	39	-2.0	-136.90	337.93	4.61	-132.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(NC(=O)C3=CC=CO3)=CC=C1)C2	REAL300005660327	0	45	-2.0	-142.33	375.47	7.79	-134.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3CC3)C=C1)C2	REAL300005660328	0	45	-2.0	-130.70	365.43	9.52	-121.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC1=CC=CC=C1[N+](=O)[O-])C2	REAL300005660329	0	41	-2.0	-135.96	348.56	8.11	-127.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCOCC1=CC=CC=C1)C2	REAL300005660330	0	44	-2.0	-126.47	368.87	8.99	-117.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(Cl)C=C1Cl)C2	REAL300005660331	0	38	-2.0	-130.65	351.88	9.91	-120.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300005660332	0	36	-2.0	-136.16	307.63	8.42	-127.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1Br)C2	REAL300005660333	0	34	-2.0	-133.36	301.14	8.42	-124.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC3=CC=CC=C31)C2	REAL300005660334	0	43	-2.0	-135.97	356.86	10.87	-125.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)C1=CC=CC=C1)C2	REAL300005660335	0	41	-2.0	-130.27	344.56	6.73	-123.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Br)C=C1)C2	REAL300005660336	0	34	-2.0	-130.60	304.40	8.00	-122.60
CC1=CC=C(C)C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660337	0	44	-2.0	-129.82	368.64	10.66	-119.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C=C1)C2	REAL300005660338	0	34	-2.0	-130.78	299.84	7.90	-122.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CS1)C2	REAL300005660339	0	34	-2.0	-134.33	303.93	7.66	-126.67
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660340	0	46	-2.0	-134.50	359.23	9.70	-124.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1NC1=CC=CC=C1)C2	REAL300005660341	0	46	-2.0	-137.64	374.36	10.34	-127.30
CCCCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660342	0	45	-2.0	-129.06	357.69	9.87	-119.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300005660343	0	36	-2.0	-128.43	311.29	8.05	-120.38
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005660344	0	34	-2.0	-133.25	292.94	7.07	-126.18
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005660345	0	34	-2.0	-129.60	293.32	7.73	-121.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1)C2	REAL300005660346	0	45	-2.0	-133.47	371.79	10.61	-122.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1)C2	REAL300005660347	0	37	-2.0	-129.99	321.81	8.38	-121.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(Cl)=C1)C2	REAL300005660348	0	34	-2.0	-127.88	296.07	8.26	-119.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C(F)(F)F)=C1)C2	REAL300005660349	0	37	-2.0	-131.36	318.48	8.76	-122.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C2	REAL300005660350	0	36	-2.0	-143.18	324.35	9.94	-133.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CO1)C2	REAL300005660351	0	35	-2.0	-133.30	301.86	7.59	-125.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300005660352	0	40	-2.0	-130.92	347.52	10.08	-120.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC=C3C=C1)C2	REAL300005660353	0	40	-2.0	-133.64	329.65	10.12	-123.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CC4CC(CC(Cl)(C4)C1)C3)C2	REAL300005660354	0	48	-2.0	-129.82	355.08	10.07	-119.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC4=C(CCCC4)C3=C1)C2	REAL300005660355	0	48	-2.0	-138.59	378.35	10.36	-128.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=NC3=CC=CC=C3C(=O)N1)C2	REAL300005660356	0	48	-2.0	-139.28	397.68	9.01	-130.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3CCCC3=C1)C2	REAL300005660357	0	44	-2.0	-132.60	355.75	10.86	-121.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3=CC=CC=C3O1)C2	REAL300005660358	0	39	-2.0	-136.27	323.94	8.90	-127.37
CC1CC1C1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660359	0	47	-2.0	-129.48	384.45	10.94	-118.54
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005660360	0	37	-2.0	-127.93	317.58	6.51	-121.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC(Cl)=CC=C3N1)C2	REAL300005660361	0	38	-2.0	-125.78	329.25	8.76	-117.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NN=CC3=CC=C1)C2	REAL300005660362	0	37	-2.0	-140.53	308.50	6.45	-134.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=CNN=C31)C2	REAL300005660362	1	37	-2.0	-151.62	309.79	6.61	-145.01
CC1=CC=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005660363	0	41	-2.0	-129.63	333.91	8.91	-120.72
CC1=NNC(=O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005660364	0	39	-2.0	-130.54	324.76	4.85	-125.69
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300005660365	0	44	-2.0	-131.97	362.05	9.44	-122.53
CC1=CC(C)=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN21	REAL300005660366	0	42	-2.0	-145.85	345.27	7.85	-138.00
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C2=CC=CO2)S1	REAL300005660367	0	40	-2.0	-140.24	348.78	8.28	-131.96
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300005660368	0	45	-2.0	-141.13	371.21	5.22	-135.91
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1	REAL300005660369	0	47	-2.0	-137.90	381.93	10.02	-127.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(F)(F)C1=CC=CC=C1)C2	REAL300005660370	0	37	-2.0	-128.89	316.32	8.86	-120.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN1CC1=CC=CC=C1)C2	REAL300005660371	0	45	-2.0	-138.29	360.23	11.13	-127.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC(C3=CC=CO3)=NO1)C2	REAL300005660372	0	42	-2.0	-134.06	363.99	6.40	-127.66
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005660373	0	47	-2.0	-134.88	377.04	10.05	-124.83
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660374	0	45	-2.0	-141.68	378.13	5.24	-136.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC([N+](=O)[O-])=C1)C2	REAL300005660375	0	39	-2.0	-136.77	338.43	9.62	-127.15
CN1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005660376	0	41	-2.0	-134.77	331.84	9.30	-125.47
COC1=CC(Cl)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660377	0	38	-2.0	-133.38	327.90	8.32	-125.06
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005660378	0	40	-2.0	-125.57	334.90	8.48	-117.09
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660379	0	41	-2.0	-129.58	335.55	8.75	-120.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC(F)=CC=C1F)C2	REAL300005660380	0	37	-2.0	-136.40	325.53	8.65	-127.75
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Br	REAL300005660381	0	37	-2.0	-130.52	318.89	8.95	-121.57
COC1=C2OC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005660382	0	41	-2.0	-136.97	343.17	7.93	-129.04
CC1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660383	0	43	-2.0	-133.79	324.63	8.25	-125.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=CC=C3Cl)=C1)C2	REAL300005660384	0	40	-2.0	-132.75	357.47	9.92	-122.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=CC=C3F)=C1)C2	REAL300005660385	0	40	-2.0	-133.59	348.99	9.54	-124.05
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660386	0	40	-2.0	-138.47	338.02	8.80	-129.67
CC(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660387	0	43	-2.0	-129.69	347.22	10.06	-119.63
CN1C=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660388	0	44	-2.0	-139.51	368.54	10.52	-128.99
COC1=CC=C2NC=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005660389	0	45	-2.0	-145.20	375.64	8.09	-137.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOCC1=CC=CC=C1)C2	REAL300005660390	0	47	-2.0	-132.89	387.13	9.81	-123.08
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300005660391	0	44	-2.0	-137.50	361.56	9.51	-127.99
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005660392	0	37	-2.0	-127.29	306.13	8.43	-118.86
CC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660393	0	40	-2.0	-131.42	331.62	9.62	-121.80
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005660394	0	41	-2.0	-133.08	330.29	7.77	-125.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CC=C3F)S1)C2	REAL300005660395	0	41	-2.0	-131.66	358.82	10.77	-120.89
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660396	0	45	-2.0	-135.12	376.95	4.77	-130.35
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660397	0	43	-2.0	-130.00	332.88	9.50	-120.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCN1C=CC3=CC=CC=C31)C2	REAL300005660398	0	44	-2.0	-130.58	364.42	10.93	-119.65
CCNS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660399	0	45	-2.0	-132.04	380.09	4.73	-127.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C2	REAL300005660400	0	34	-2.0	-124.93	311.33	8.70	-116.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C(F)C=C3)CCCC1)C2	REAL300005660401	0	47	-2.0	-132.87	364.27	10.45	-122.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2	REAL300005660402	0	48	-2.0	-137.25	341.66	9.62	-127.63
CC(=O)NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660403	0	41	-2.0	-140.06	338.89	6.59	-133.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC=C1)C2	REAL300005660404	0	40	-2.0	-126.20	334.84	9.69	-116.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CNC3=CC=CC=C13)C2	REAL300005660405	0	47	-2.0	-134.13	385.02	10.59	-123.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(Br)=C1)C2	REAL300005660406	0	34	-2.0	-129.18	300.63	8.38	-120.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1)C2	REAL300005660407	0	38	-2.0	-131.29	319.13	8.86	-122.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OC3=CC=CC=C3)=C1)C2	REAL300005660408	0	45	-2.0	-131.68	368.30	10.57	-121.11
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300005660409	0	43	-2.0	-134.03	369.39	6.95	-127.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCCO1)C2	REAL300005660410	0	41	-2.0	-128.65	332.09	6.85	-121.80
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005660411	0	42	-2.0	-135.31	344.55	7.15	-128.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=CC=C3F)C=C1)C2	REAL300005660412	0	41	-2.0	-146.52	348.09	9.70	-136.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=C(F)C=C3)C=C1)C2	REAL300005660413	0	41	-2.0	-137.98	349.99	9.63	-128.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=CC=C3)C=C1)C2	REAL300005660414	0	41	-2.0	-139.79	343.58	9.56	-130.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOCCC1=CC=CC=C1)C2	REAL300005660415	0	50	-2.0	-131.62	408.63	10.59	-121.03
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660416	0	42	-2.0	-133.39	364.97	4.29	-129.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(N3C=NN=N3)C=CS1)C2	REAL300005660417	0	36	-2.0	-141.85	317.15	7.49	-134.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)C3=CC=CC=C3N1)C2	REAL300005660418	0	38	-2.0	-128.93	327.23	8.77	-120.16
CC1=CC=C(C2=NOC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=C1	REAL300005660419	0	43	-2.0	-132.26	361.46	9.73	-122.53
CNS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660420	0	39	-2.0	-132.84	346.84	2.42	-130.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660420	1	38	-3.0	-198.52	343.83	1.97	-196.55
CC(C)(C)C1=NOC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660421	0	50	-2.0	-134.98	406.40	7.74	-127.24
CC1=NOC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660422	0	41	-2.0	-134.62	344.68	6.13	-128.49
CCC1=NOC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660423	0	44	-2.0	-130.35	369.40	6.68	-123.67
CCN(CC)C(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660424	0	55	-2.0	-134.32	411.65	9.21	-125.11
CC1=CC(NC(=O)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005660425	0	37	-2.0	-126.15	319.55	5.63	-120.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)C3=CC(Cl)=CC=C3N1)C2	REAL300005660426	0	38	-2.0	-124.85	343.94	9.29	-115.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)C3=CC(F)=CC=C3N1)C2	REAL300005660427	0	38	-2.0	-124.88	333.39	8.82	-116.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC(F)(F)F)C2	REAL300005660428	0	31	-2.0	-125.28	292.99	7.01	-118.27
CC1=CC=C(C2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CS2)O1	REAL300005660429	0	40	-2.0	-144.96	352.57	8.25	-136.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(Cl)S1)C2	REAL300005660430	0	37	-2.0	-127.09	338.88	9.45	-117.64
CCOC1=CC=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=C1	REAL300005660431	0	45	-2.0	-132.54	363.80	8.46	-124.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(CC3=CC=CC=C3)=N1)C2	REAL300005660432	0	43	-2.0	-140.18	371.48	10.06	-130.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(=O)NC3=CC(F)=CC=C31)C2	REAL300005660433	0	40	-2.0	-128.98	344.83	7.09	-121.89
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=C1C(=O)CCC2	REAL300005660434	0	43	-2.0	-134.39	348.78	8.73	-125.66
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660435	0	41	-2.0	-139.42	360.66	9.68	-129.74
CCCC1=NOC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660436	0	47	-2.0	-130.32	390.90	7.45	-122.87
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660437	0	45	-2.0	-133.62	376.91	9.47	-124.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=NC=C(C3=CC=CC=C3)O1)C2	REAL300005660438	0	49	-2.0	-136.79	408.30	9.02	-127.77
CC(C)CNC(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660439	0	55	-2.0	-138.28	422.43	7.98	-130.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC3=CC=CC=C3C=C1)C2	REAL300005660440	0	43	-2.0	-133.64	356.32	11.19	-122.45
CCOC1=CC=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660441	0	45	-2.0	-135.28	369.56	9.71	-125.57
CC(C)COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660442	0	47	-2.0	-133.95	372.27	9.47	-124.48
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660443	0	41	-2.0	-130.20	348.86	9.73	-120.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1Br)C2	REAL300005660444	0	38	-2.0	-128.26	340.77	9.89	-118.37
CC1=CC=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660445	0	41	-2.0	-131.37	340.75	10.08	-121.29
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005660446	0	46	-2.0	-128.09	383.80	11.18	-116.91
CC(=O)NC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005660447	0	41	-2.0	-135.61	341.14	6.75	-128.86
CCS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660448	0	43	-2.0	-134.77	364.62	6.15	-128.62
CC(C)CCSCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660449	0	43	-2.0	-129.20	355.29	9.39	-119.81
CCCCOC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660450	0	43	-2.0	-124.91	342.46	8.35	-116.56
C=CCCOC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660451	0	41	-2.0	-130.02	334.03	8.13	-121.89
CC(C)CCOC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660452	0	46	-2.0	-124.77	360.03	8.88	-115.89
CC(OCC1CCCCO1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660453	0	48	-2.0	-133.19	377.59	8.08	-125.11
CC(OCC1CCCO1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660454	0	45	-2.0	-133.96	356.89	7.21	-126.75
CC(OCC1CC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660455	0	41	-2.0	-131.64	332.06	8.39	-123.25
CC1=CC=C(CCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660456	0	49	-2.0	-126.83	399.25	11.93	-114.90
CC1=CC=C(C)C(OCCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660457	0	53	-2.0	-131.68	424.56	11.55	-120.13
CC1=CC=CC(OCCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660458	0	50	-2.0	-131.53	404.49	10.81	-120.72
CC(C)OC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660459	0	47	-2.0	-134.65	379.49	9.80	-124.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Br)C(C3CC3)=NN1)C2	REAL300005660460	0	38	-2.0	-124.05	333.91	7.52	-116.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CC=C3)N=C1)C2	REAL300005660461	0	42	-2.0	-127.83	348.68	9.06	-118.77
CN1C=C(C2CC2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005660462	0	41	-2.0	-134.58	337.30	7.81	-126.77
COCCOCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660463	0	41	-2.0	-130.57	339.36	5.27	-125.30
CC(CC1=CC=CC(F)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660464	0	43	-2.0	-125.37	352.07	9.92	-115.45
CC(CC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660465	0	43	-2.0	-128.15	353.53	10.13	-118.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CSC=N1)C2	REAL300005660466	0	36	-2.0	-129.83	315.92	6.77	-123.06
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660467	0	48	-2.0	-140.72	392.28	9.84	-130.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN(CC3=CC=CC=C3)C1=O)C2	REAL300005660468	0	47	-2.0	-164.64	393.54	10.80	-153.84
O=C(CC1CCCCC1)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660469	0	50	-2.0	-128.90	389.03	7.68	-121.22
CC(NC(=O)CC1CCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660470	0	53	-2.0	-126.58	407.69	8.33	-118.25
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)NC(=O)C1CCCC1	REAL300005660471	0	50	-2.0	-133.43	394.43	8.12	-125.31
CN1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C1=CC=C(F)C=C1	REAL300005660472	0	45	-2.0	-130.69	362.97	10.59	-120.10
CC1=CC=CC(N2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)=C1	REAL300005660473	0	43	-2.0	-135.84	361.07	8.73	-127.11
CC(C)(C)CC(=O)N1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660474	0	53	-2.0	-140.86	403.32	9.78	-131.08
CC1=CC=CC=C1C(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660475	0	46	-2.0	-130.61	344.79	9.49	-121.12
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005660476	0	49	-2.0	-132.02	374.22	8.72	-123.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC(F)=C1F)C2	REAL300005660477	0	40	-2.0	-130.24	343.47	9.84	-120.40
CC1=NN(C)C(C)=C1C(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660478	0	46	-2.0	-131.81	360.71	7.63	-124.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC1CCCO1)C2	REAL300005660479	0	42	-2.0	-135.77	341.74	6.73	-129.04
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(C(C)(C)C)=N1	REAL300005660480	0	45	-2.0	-125.75	370.63	7.82	-117.93
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CN1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300005660582	0	35	-2.0	-127.87	318.23	8.09	-119.78
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CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660586	0	41	-2.0	-130.59	339.36	10.22	-120.37
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(C)(=O)=O	REAL300005660589	0	36	-2.0	-142.62	305.23	3.92	-138.70
CCSCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660590	0	37	-2.0	-124.85	319.64	8.03	-116.82
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CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660592	0	46	-2.0	-136.39	378.76	8.26	-128.13
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660593	0	46	-2.0	-136.45	376.27	8.21	-128.24
CCCC(=O)N1CSCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660594	0	45	-2.0	-141.30	373.69	8.65	-132.65
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660595	0	51	-2.0	-140.53	405.38	9.56	-130.97
CCCCC(=O)N1CSCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660596	0	48	-2.0	-142.28	396.16	8.29	-133.99
CC(C)OC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660597	0	47	-2.0	-137.32	381.63	9.79	-127.53
CCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660598	0	37	-2.0	-130.56	311.46	7.79	-122.77
NC(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660599	0	38	-2.0	-138.43	313.84	4.53	-133.90
C=CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660600	0	42	-2.0	-134.03	346.46	8.55	-125.48
CC(C)CCC(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660601	0	46	-2.0	-128.49	369.73	6.48	-122.01
CC1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005660602	0	52	-2.0	-129.66	382.10	10.63	-119.03
COC1=CC=C(CCCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660603	0	53	-2.0	-132.13	425.61	11.40	-120.73
CCSC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C	REAL300005660604	0	43	-2.0	-132.50	335.50	8.91	-123.59
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C2=CSC=C2)O1	REAL300005660605	0	43	-2.0	-144.15	381.16	6.56	-137.59
CCN1N=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005660606	0	43	-2.0	-132.02	354.55	7.83	-124.19
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005660607	0	46	-2.0	-128.37	369.40	10.67	-117.70
CC(C)CC(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660608	0	45	-2.0	-129.10	345.55	9.26	-119.84
CC(C)OC1=CC=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660609	0	48	-2.0	-132.05	388.60	10.26	-121.79
CC(C)(C)C1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660610	0	55	-2.0	-131.27	429.31	12.87	-118.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CC=CC=C31)C2	REAL300005660611	0	41	-2.0	-140.92	332.90	9.93	-130.99
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CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)F	REAL300005660613	0	37	-2.0	-134.21	310.17	6.28	-127.93
NC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300005660614	0	38	-2.0	-125.90	319.63	6.77	-119.13
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CC1=CC=CC=C1C1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005660616	0	43	-2.0	-144.74	361.64	9.59	-135.15
CC(C)C(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660617	0	49	-2.0	-130.78	382.54	11.24	-119.54
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005660618	0	46	-2.0	-133.82	370.79	8.48	-125.34
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660619	0	46	-2.0	-129.70	364.75	10.83	-118.87
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(CC(C)C)=N1	REAL300005660620	0	45	-2.0	-126.77	366.68	8.64	-118.13
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1CC1CC1	REAL300005660621	0	48	-2.0	-137.15	380.01	10.94	-126.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3=CC=CC=C3)=N1)C2	REAL300005660622	0	40	-2.0	-136.87	346.82	7.09	-129.78
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CCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005660624	0	45	-2.0	-130.29	359.91	7.89	-122.40
CN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660625	0	44	-2.0	-127.65	359.72	9.00	-118.65
CC(C)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660626	0	47	-2.0	-131.35	379.50	11.33	-120.02
CC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005660627	0	44	-2.0	-131.46	360.61	10.24	-121.22
CCCC1=C(C)SC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660628	0	43	-2.0	-130.62	352.74	9.70	-120.92
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660629	0	44	-2.0	-133.51	365.21	8.59	-124.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC=C3N1)C2	REAL300005660630	0	38	-2.0	-130.44	314.44	8.20	-122.24
CC1=C(C)SC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660631	0	37	-2.0	-133.70	317.51	7.79	-125.91
CC1=CC(NC(=O)CSCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005660632	0	44	-2.0	-138.35	384.31	7.79	-130.56
CCC1=C(C)SC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660633	0	40	-2.0	-130.81	331.20	8.94	-121.87
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660634	0	43	-2.0	-143.34	366.24	3.10	-140.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(COC3=CC=CC=C3)O1)C2	REAL300005660635	0	45	-2.0	-134.79	379.85	9.62	-125.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660636	0	41	-3.0	-209.26	351.74	4.75	-204.51
CS(=O)(=O)N1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660637	0	42	-2.0	-131.73	347.74	4.10	-127.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC(Cl)=C1)C2	REAL300005660638	0	38	-2.0	-130.66	335.85	9.38	-121.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3CCCC3)C=C1)C2	REAL300005660639	0	48	-2.0	-131.14	378.21	9.94	-121.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300005660640	0	41	-2.0	-134.34	353.13	8.43	-125.91
CCCOC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660641	0	44	-2.0	-133.40	352.17	8.78	-124.62
CC(SCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660642	0	44	-2.0	-132.26	368.99	10.72	-121.54
CC(C)C1=CC=C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660643	0	47	-2.0	-129.21	388.92	11.34	-117.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1C(F)(F)F)C2	REAL300005660644	0	41	-2.0	-135.38	356.60	9.91	-125.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(F)C=C1F)C2	REAL300005660645	0	38	-2.0	-132.06	331.76	8.99	-123.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCN1C=CC=CC1=O)C2	REAL300005660646	0	40	-2.0	-142.72	335.41	8.01	-134.71
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660647	0	53	-2.0	-129.84	408.95	11.59	-118.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(Br)=C1)C2	REAL300005660648	0	31	-2.0	-125.64	284.59	6.61	-119.03
CC(C)CC1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660649	0	43	-2.0	-125.48	345.74	7.35	-118.13
CC(C)CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005660649	1	43	-2.0	-135.13	347.66	7.41	-127.72
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300005660650	0	42	-2.0	-131.58	348.53	8.88	-122.70
CC1=CC(OC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Cl	REAL300005660651	0	44	-2.0	-127.36	368.21	10.36	-117.00
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005660652	0	47	-2.0	-135.26	376.41	9.73	-125.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(C1=CC=CC=C1)N1C=CC=N1)C2	REAL300005660653	0	44	-2.0	-134.62	360.11	9.19	-125.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=C1CCCCC1)C2	REAL300005660654	0	41	-2.0	-130.74	319.86	9.04	-121.70
COC1=CC=CC(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660655	0	38	-2.0	-138.29	333.16	7.82	-130.47
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660656	0	45	-2.0	-144.34	372.02	8.39	-135.95
CC1=CC=C2OC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005660657	0	40	-2.0	-131.79	334.77	9.34	-122.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC(F)=CC=C1F)C2	REAL300005660658	0	40	-2.0	-130.70	343.48	9.86	-120.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCN1C=C([N+](=O)[O-])C=N1)C2	REAL300005660659	0	39	-2.0	-128.82	342.77	7.63	-121.19
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=C(C)C=CC=C12	REAL300005660660	0	43	-2.0	-134.40	352.85	10.00	-124.40
COCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660661	0	48	-2.0	-135.66	389.56	9.50	-126.16
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660662	0	46	-2.0	-129.00	355.60	10.50	-118.50
CC(C)(C)C(=O)N1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660663	0	50	-2.0	-143.01	378.94	8.89	-134.12
CC12CCC(=O)N1C(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CS2	REAL300005660664	0	43	-2.0	-147.25	357.93	7.38	-139.87
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660665	0	50	-2.0	-130.88	401.45	11.94	-118.94
CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005660666	0	36	-2.0	-138.22	299.46	7.46	-130.76
O=C(CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)NC1CCCC1	REAL300005660667	0	47	-2.0	-131.87	375.31	7.28	-124.59
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660668	0	37	-2.0	-135.07	304.52	8.05	-127.02
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(O)=C1	REAL300005660669	0	38	-2.0	-132.60	314.09	6.40	-126.20
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660670	0	43	-2.0	-134.53	343.27	9.30	-125.23
CC1=CC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005660671	0	43	-2.0	-130.53	353.35	9.78	-120.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1OCCC3=CC=CC=C31)C2	REAL300005660672	0	42	-2.0	-131.76	333.48	9.00	-122.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)O1)C2	REAL300005660673	0	31	-2.0	-129.78	282.58	6.80	-122.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Br)C(F)=C1)C2	REAL300005660674	0	34	-2.0	-124.61	306.43	8.41	-116.20
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Br)=C1	REAL300005660675	0	38	-2.0	-131.74	330.53	7.73	-124.01
COC1=CC=C(C(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005660676	0	51	-2.0	-131.87	389.16	8.86	-123.01
COC1=CC=CC=C1C(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660677	0	47	-2.0	-131.67	354.75	9.38	-122.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=CC([N+](=O)[O-])=N1)C2	REAL300005660678	0	36	-2.0	-131.59	324.14	7.97	-123.62
CCOCCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005660679	0	50	-2.0	-136.51	378.93	8.33	-128.18
CC1=CC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)S1	REAL300005660680	0	46	-2.0	-131.08	383.90	10.98	-120.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCCCC1)C2	REAL300005660681	0	46	-2.0	-133.42	345.11	9.21	-124.21
CC1=CC=C2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=C1	REAL300005660682	0	42	-2.0	-139.94	355.86	10.42	-129.52
NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660683	0	38	-2.0	-130.05	319.91	6.48	-123.57
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660684	0	45	-2.0	-134.67	374.90	5.74	-128.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2	REAL300005660685	0	51	-2.0	-135.18	368.54	10.71	-124.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC=C1)C2	REAL300005660686	0	34	-2.0	-126.31	303.43	7.83	-118.48
COC1=CC2=CC=CC=C2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660687	0	44	-2.0	-136.06	357.94	10.30	-125.76
CC(C)(C)C1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660688	0	52	-2.0	-133.58	372.53	9.64	-123.94
CC1=CC(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Cl	REAL300005660689	0	47	-2.0	-131.24	397.02	10.45	-120.79
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005660690	0	46	-2.0	-129.40	380.71	10.95	-118.45
CC(C)COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660691	0	47	-2.0	-133.63	375.16	9.45	-124.18
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300005660692	0	51	-2.0	-130.09	401.51	9.37	-120.72
CCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660693	0	44	-2.0	-133.57	355.06	8.77	-124.80
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660694	0	51	-2.0	-138.30	400.62	8.32	-129.98
CCC(OC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660695	0	44	-2.0	-125.54	346.87	9.77	-115.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC3=CC=CC=C31)C2	REAL300005660696	0	44	-2.0	-134.24	364.17	11.17	-123.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3)CCCC1)C2	REAL300005660697	0	47	-2.0	-135.30	357.86	10.38	-124.92
CCC1=CC=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660698	0	44	-2.0	-131.56	362.01	10.30	-121.26
CCOC1=CC=C2OC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005660699	0	47	-2.0	-131.70	382.83	9.56	-122.14
CCC1=CC=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=COC2=C1	REAL300005660700	0	46	-2.0	-135.17	384.97	10.55	-124.62
CSC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660701	0	38	-2.0	-138.16	320.36	8.79	-129.37
CC(C)C1=CC=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660702	0	47	-2.0	-132.26	377.75	10.83	-121.43
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005660703	0	43	-2.0	-131.83	348.62	10.15	-121.68
CCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OCC	REAL300005660704	0	51	-2.0	-129.10	403.16	9.59	-119.51
CC1=CC=C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005660705	0	44	-2.0	-129.84	368.63	10.66	-119.18
CC12CC3CC(C)(C1)CC(C(=O)N1CC4(C(=O)[O-])CCC4(C(=O)[O-])C1)(C3)C2	REAL300005660706	0	54	-2.0	-133.65	381.74	10.49	-123.16
CSC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660707	0	40	-2.0	-127.76	342.88	9.26	-118.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSCC1=CC=C(F)C=C1)C2	REAL300005660708	0	41	-2.0	-130.87	361.05	10.40	-120.47
COC1=CC(OC)=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005660709	0	46	-2.0	-130.23	372.52	6.90	-123.33
CC1=C2C(=CC=C1)SC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=C2Cl	REAL300005660710	0	40	-2.0	-133.98	346.54	10.19	-123.79
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660711	0	54	-2.0	-140.98	411.70	9.53	-131.45
CC(NC(=O)OC(C)(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660712	0	47	-2.0	-123.74	373.59	5.75	-117.99
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660713	0	53	-2.0	-129.47	399.39	6.75	-122.72
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660714	0	56	-2.0	-128.82	417.45	8.15	-120.67
CC(C)(C)OC(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660715	0	44	-2.0	-127.95	354.58	5.05	-122.90
CCCC(CCC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660716	0	45	-2.0	-131.22	350.27	9.27	-121.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC=C1C(F)(F)F)C2	REAL300005660717	0	40	-2.0	-138.34	343.25	9.41	-128.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(Br)=C1)C2	REAL300005660718	0	37	-2.0	-131.23	331.51	9.56	-121.67
CC1(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1(C)C	REAL300005660719	0	43	-2.0	-127.63	332.77	8.82	-118.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3=CC=CC=C31)C2	REAL300005660720	0	38	-2.0	-133.52	317.60	9.28	-124.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC3=CC=CC=C13)C2	REAL300005660721	0	40	-2.0	-135.25	350.09	9.90	-125.35
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660722	0	50	-2.0	-126.90	378.32	6.67	-120.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCCC1)C2	REAL300005660723	0	43	-2.0	-129.52	321.92	8.69	-120.83
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005660724	0	47	-2.0	-132.56	375.33	7.94	-124.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC(F)(F)F)C2	REAL300005660725	0	33	-2.0	-126.60	289.83	7.12	-119.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NC=CC3=CC=C1)C2	REAL300005660726	0	38	-2.0	-135.31	314.02	7.90	-127.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3OCOC3=C1)C2	REAL300005660727	0	40	-2.0	-132.32	336.28	7.62	-124.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3OCCC3=C1)C2	REAL300005660728	0	39	-2.0	-129.52	314.22	7.54	-121.98
COC1=C(OC)C=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005660729	0	46	-2.0	-129.55	371.20	7.46	-122.09
CC1=CC=CC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660730	0	40	-2.0	-130.58	331.95	9.12	-121.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(Br)C=C1)C2	REAL300005660731	0	40	-2.0	-124.96	356.14	10.32	-114.64
CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)(C)C	REAL300005660732	0	56	-2.0	-127.21	414.70	7.67	-119.54
CC(C)(C)OC(=O)NC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005660733	0	54	-2.0	-136.42	410.37	8.06	-128.36
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660734	0	46	-2.0	-130.18	364.70	10.45	-119.73
COC1=CC=CC(F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660735	0	38	-2.0	-139.53	323.66	7.45	-132.08
CC(OC1=CC=CC=C1F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660736	0	41	-2.0	-133.18	338.99	9.34	-123.84
CC(C)SCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660737	0	37	-2.0	-129.52	313.00	7.93	-121.59
CCCCSCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660738	0	40	-2.0	-129.31	337.72	8.88	-120.43
CC(C)SC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660739	0	44	-2.0	-133.34	360.23	10.13	-123.21
CCC(OC1CCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660740	0	50	-2.0	-126.35	386.19	10.13	-116.22
CC1=C(C2CC2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005660741	0	41	-2.0	-132.11	340.18	9.96	-122.15
CS(=O)(=O)CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660742	0	43	-2.0	-136.60	355.99	5.57	-131.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(=O)C3=CNC=C3)C=C1)C2	REAL300005660743	0	44	-2.0	-133.78	365.41	8.91	-124.87
CC1=CC=C(F)C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660744	0	41	-2.0	-134.43	346.76	9.59	-124.84
CC1=NN(C)C(C)=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660745	0	44	-2.0	-134.58	367.96	7.85	-126.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CSCC1=CC=CO1)C2	REAL300005660746	0	39	-2.0	-132.28	347.05	8.84	-123.44
COC1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005660747	0	45	-2.0	-131.44	368.69	8.90	-122.54
CCC(CC)N1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660748	0	46	-2.0	-129.09	358.99	8.63	-120.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCC(CC1Br)C3)C2	REAL300005660749	0	41	-2.0	-133.12	329.82	8.90	-124.22
CC(C)COC1=CC=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660750	0	51	-2.0	-133.12	412.08	10.59	-122.53
CN(C)S(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005660751	0	42	-2.0	-129.62	360.19	3.95	-125.67
CSCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660752	0	41	-2.0	-134.45	348.63	9.60	-124.85
CC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005660753	0	39	-2.0	-134.82	343.50	7.19	-127.63
CCS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660754	0	36	-2.0	-137.51	316.43	3.82	-133.69
CC1=NN(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=C1	REAL300005660755	0	44	-2.0	-138.60	359.60	9.53	-129.07
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660756	0	47	-2.0	-125.64	373.11	5.72	-119.92
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660757	0	54	-2.0	-137.89	408.08	9.65	-128.24
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660758	0	51	-2.0	-138.14	398.52	8.48	-129.66
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660759	0	54	-2.0	-134.52	409.32	9.30	-125.22
COC1=CC=CC(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660760	0	44	-2.0	-130.12	353.98	8.63	-121.49
CC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005660761	0	51	-2.0	-127.22	374.10	8.61	-118.61
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660762	0	54	-2.0	-139.57	415.58	9.04	-130.53
CC(C)CCOCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660763	0	43	-2.0	-130.37	345.34	8.41	-121.96
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660764	0	39	-2.0	-137.36	345.74	9.03	-128.33
CC1CCCCC1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660765	0	46	-2.0	-129.63	340.46	9.47	-120.16
CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005660766	0	44	-2.0	-129.76	357.46	9.70	-120.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=NN1C1=CC=CC=C1Cl)C2	REAL300005660767	0	40	-2.0	-131.30	348.42	8.08	-123.22
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005660768	0	44	-2.0	-129.07	378.15	11.22	-117.85
CC1=CC=CC(F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660769	0	37	-2.0	-133.87	313.96	8.64	-125.23
CS(=O)(=O)CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660770	0	39	-2.0	-142.95	335.34	4.29	-138.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3COCC3=C1)C2	REAL300005660771	0	39	-2.0	-132.38	314.18	6.99	-125.39
CC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005660772	0	53	-2.0	-128.19	380.40	10.91	-117.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=NN=C3)C=C1)C2	REAL300005660773	0	40	-2.0	-136.69	333.06	10.69	-126.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=C(Cl)C=N3)O1)C2	REAL300005660774	0	41	-2.0	-135.00	366.87	8.54	-126.46
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300005660775	0	40	-2.0	-127.08	342.52	9.82	-117.26
CC(C)(C)OC(=O)NC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)(C)C	REAL300005660776	0	56	-2.0	-126.35	415.93	7.70	-118.65
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300005660777	0	50	-2.0	-139.07	389.53	9.32	-129.75
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CN1C=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660779	0	47	-2.0	-135.24	385.96	11.52	-123.72
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660780	0	52	-2.0	-134.91	419.13	8.01	-126.90
CCC(OC1=CC=CC=C1Cl)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660781	0	44	-2.0	-131.75	363.32	10.32	-121.43
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005660782	0	41	-2.0	-137.59	357.10	8.25	-129.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C3CCCCC3=C1)C2	REAL300005660783	0	48	-2.0	-131.81	381.86	11.35	-120.46
CC(CSC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660784	0	44	-2.0	-127.13	373.93	10.68	-116.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3=CC=CC(F)=C3)N=N1)C2	REAL300005660785	0	43	-2.0	-136.47	371.28	8.61	-127.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CNC3=CC=C([N+](=O)[O-])C=C13)C2	REAL300005660786	0	43	-2.0	-137.90	373.71	9.27	-128.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC13CCCC1=CC=CC=C13)C2	REAL300005660787	0	48	-2.0	-141.98	366.32	11.66	-130.32
CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005660788	0	43	-2.0	-129.96	323.41	8.08	-121.88
CC(C)CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)F	REAL300005660789	0	46	-2.0	-126.95	369.79	8.56	-118.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NN(C3=CC=CC=C3)C=C1)C2	REAL300005660790	0	44	-2.0	-144.31	368.27	10.11	-134.20
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1	REAL300005660791	0	47	-2.0	-140.63	376.16	4.88	-135.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3)CC3CCC1C3)C2	REAL300005660792	0	54	-2.0	-138.14	388.59	11.99	-126.15
CN1C=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660793	0	45	-2.0	-136.81	374.06	11.18	-125.63
CCCN1N=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005660794	0	46	-2.0	-136.22	376.08	8.59	-127.63
CC(C)(C)OC(=O)NC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005660795	0	54	-2.0	-128.35	416.60	7.80	-120.55
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300005660796	0	43	-2.0	-137.76	356.00	9.86	-127.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(F)C=C1OC(F)F)C2	REAL300005660797	0	38	-2.0	-132.92	327.15	8.29	-124.63
CC1=CC=C(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005660798	0	50	-2.0	-132.83	399.98	10.56	-122.27
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660799	0	37	-2.0	-127.83	316.11	7.84	-119.99
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660800	0	53	-2.0	-130.62	410.23	8.71	-121.91
CCSC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660801	0	41	-2.0	-132.69	362.48	10.15	-122.54
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCCS1(=O)=O	REAL300005660802	0	48	-2.0	-145.84	380.45	5.42	-140.42
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660803	0	53	-2.0	-129.73	404.16	6.51	-123.22
CC1=CC=C2NC=C(CCC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005660804	0	47	-2.0	-135.28	384.89	10.47	-124.81
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660805	0	46	-2.0	-131.06	366.87	10.46	-120.60
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005660806	0	46	-2.0	-127.70	380.23	10.90	-116.80
COC1=CC=C(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005660807	0	48	-2.0	-133.20	385.00	8.52	-124.68
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1C	REAL300005660808	0	50	-2.0	-135.51	394.75	10.93	-124.58
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CC(C)(C)OC(=O)NCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660811	0	50	-2.0	-132.49	398.21	6.53	-125.96
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COC1=CC=C(Cl)C=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660813	0	41	-2.0	-132.25	359.23	8.61	-123.64
CCCCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660814	0	46	-2.0	-132.76	368.39	10.70	-122.06
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005660815	0	46	-2.0	-131.07	381.15	10.96	-120.11
CC1=CC=C(C2=NN(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)C=C1	REAL300005660816	0	45	-2.0	-138.97	386.79	8.19	-130.78
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660817	0	54	-2.0	-134.04	414.75	8.85	-125.19
CC(=O)C1=C(C)OC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660818	0	45	-2.0	-129.55	374.25	9.21	-120.34
CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005660819	0	44	-2.0	-136.63	355.88	10.45	-126.18
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1CC(F)(F)F	REAL300005660820	0	44	-2.0	-138.41	363.78	9.67	-128.74
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660821	0	37	-2.0	-136.05	316.76	8.06	-127.99
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CN1C=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660823	0	35	-2.0	-131.00	303.66	7.86	-123.14
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CC1=CC=C(NC2=CC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660825	0	49	-2.0	-143.28	395.46	10.98	-132.30
CC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005660826	0	43	-2.0	-130.23	367.07	10.85	-119.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC1C1=CC=C(C(F)(F)F)C=C1)C2	REAL300005660827	0	44	-2.0	-130.65	376.28	11.25	-119.40
CC(C)C1CCC(C)CC1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660828	0	56	-2.0	-127.23	415.59	10.99	-116.24
CCC(C)C1=CC=CC=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660829	0	50	-2.0	-132.60	396.19	11.49	-121.11
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005660830	0	40	-2.0	-127.83	335.86	7.65	-120.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CSC3=CC=CC=C31)C2	REAL300005660831	0	39	-2.0	-131.21	336.45	9.41	-121.80
CCC1=CC=C(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660832	0	49	-2.0	-129.72	387.93	11.62	-118.10
CCC(OC1=CC=CC=C1C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660833	0	47	-2.0	-130.09	367.36	10.51	-119.58
CSCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005660834	0	41	-2.0	-127.33	350.84	9.65	-117.68
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660835	0	53	-2.0	-130.71	401.21	6.83	-123.88
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660836	0	51	-2.0	-130.05	408.40	8.28	-121.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3)CCC1)C2	REAL300005660837	0	47	-2.0	-138.60	370.29	10.85	-127.75
CCC1=NOC(CC)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660838	0	45	-2.0	-127.70	373.79	9.03	-118.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3)CC1)C2	REAL300005660839	0	44	-2.0	-134.54	361.50	10.68	-123.86
COC1=CC=CC(OC)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660840	0	45	-2.0	-136.98	366.52	7.67	-129.31
CC(C)CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005660841	0	46	-2.0	-133.97	339.78	8.91	-125.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1SC1=CC=CC=C1)C2	REAL300005660842	0	45	-2.0	-143.06	379.51	11.79	-131.27
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005660843	0	40	-2.0	-130.92	341.22	9.85	-121.07
CCC(OC1CCCC(C)C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660844	0	53	-2.0	-131.85	395.25	10.73	-121.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NN(C3=CC=C(F)C=C3)C=C1)C2	REAL300005660845	0	44	-2.0	-142.12	374.67	10.19	-131.93
COC1=CC=C(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660846	0	47	-2.0	-130.66	374.52	9.47	-121.19
COC1=CC=C(CC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660847	0	47	-2.0	-129.57	376.62	9.36	-120.21
COC1=CC=C(C(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660848	0	47	-2.0	-132.39	359.81	8.95	-123.44
CC(C)(C)OC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660849	0	47	-2.0	-134.03	363.06	8.53	-125.50
CCCC(O)(CCC)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660850	0	49	-2.0	-131.90	370.86	7.91	-123.99
COC1=CC=CC(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660851	0	47	-2.0	-130.22	374.54	9.46	-120.76
COCCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005660852	0	47	-2.0	-136.64	357.08	7.36	-129.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(N3C=CN=N3)=C1)C2	REAL300005660853	0	40	-2.0	-139.38	331.74	7.66	-131.72
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CC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005660856	0	43	-2.0	-131.68	365.22	10.43	-121.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(O)C1=CC=CC(F)=C1)C2	REAL300005660857	0	41	-2.0	-131.64	344.72	7.56	-124.08
CCC(OC1=CC=CC(C)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660858	0	47	-2.0	-131.32	367.94	10.42	-120.90
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COCCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005660860	0	44	-2.0	-135.97	345.00	7.00	-128.97
CS(=O)(=O)C1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660861	0	44	-2.0	-139.00	379.81	6.39	-132.61
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660862	0	43	-2.0	-131.02	364.71	4.08	-126.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=CC=C1N1C=NN=N1)C2	REAL300005660863	0	39	-2.0	-145.17	344.49	8.82	-136.35
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660864	0	48	-2.0	-131.64	377.67	11.13	-120.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC4=C(CCCCC4)C3=C1)C2	REAL300005660865	0	51	-2.0	-136.74	388.17	10.66	-126.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(Cl)C(Cl)=CC=C3N1)C2	REAL300005660866	0	38	-2.0	-125.13	345.27	9.26	-115.87
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005660867	0	46	-2.0	-135.35	351.59	7.77	-127.58
CC(SC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660868	0	41	-2.0	-132.84	343.26	9.73	-123.11
CNC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660869	0	41	-2.0	-137.60	337.14	7.42	-130.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCCS1(=O)=O)C2	REAL300005660870	0	39	-2.0	-137.93	332.69	3.72	-134.21
CC1=C(C)OC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660871	0	37	-2.0	-131.44	309.75	7.73	-123.71
CC(C)(C)OC(=O)NC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660872	0	48	-2.0	-123.97	370.71	6.48	-117.49
CC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Br	REAL300005660873	0	37	-2.0	-123.16	333.61	7.05	-116.11
CC1=CC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005660874	0	38	-2.0	-129.66	306.78	7.39	-122.27
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660875	0	45	-2.0	-131.92	369.74	9.69	-122.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=C([N+](=O)[O-])C=N1)C2	REAL300005660876	0	36	-2.0	-139.39	324.07	6.66	-132.73
CC1=NN(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)C=C1	REAL300005660877	0	44	-2.0	-132.34	362.71	9.49	-122.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CC3)N(C3=CC=CC=C3)N=C1)C2	REAL300005660878	0	48	-2.0	-134.58	385.73	10.73	-123.85
CN1N=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660879	0	38	-2.0	-130.39	321.94	7.05	-123.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=C(Cl)C=C3)N=N1)C2	REAL300005660880	0	40	-2.0	-133.38	356.35	8.59	-124.79
COC1=CC=C2OCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005660881	0	44	-2.0	-132.19	364.93	7.87	-124.32
CC1=CC=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(Cl)C2=C1	REAL300005660882	0	41	-2.0	-128.56	348.60	9.45	-119.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Br)=CS1)C2	REAL300005660883	0	31	-2.0	-122.07	297.93	7.09	-114.98
CC(C)C1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660884	0	43	-2.0	-129.79	342.78	7.44	-122.35
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)NC(=O)OC(C)(C)C	REAL300005660885	0	50	-2.0	-134.82	396.07	6.98	-127.84
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005660886	0	51	-2.0	-140.62	395.45	8.08	-132.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=C(Br)N1)C2	REAL300005660887	0	32	-2.0	-122.33	304.27	7.08	-115.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NN(C3=CC=CC=C3)N=C1)C2	REAL300005660888	0	43	-2.0	-145.89	367.38	8.37	-137.52
CC(C)C1=NC=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660889	0	41	-2.0	-128.85	332.01	7.80	-121.05
CC(C)(C)OC(=O)N(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1CC1	REAL300005660890	0	54	-2.0	-131.71	429.08	10.53	-121.18
CC(C)N(CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005660891	0	56	-2.0	-129.80	429.45	9.67	-120.13
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660892	0	41	-2.0	-140.72	343.49	7.65	-133.07
NC1=NC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660893	0	34	-2.0	-131.93	283.89	4.20	-127.73
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660894	0	46	-2.0	-130.48	390.56	9.25	-121.23
CC1=CC=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660895	0	41	-2.0	-131.68	336.89	9.94	-121.74
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660896	0	43	-2.0	-132.35	359.32	8.61	-123.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3CCCC3=C1)C2	REAL300005660897	0	41	-2.0	-128.66	328.55	9.64	-119.02
CC(C)OCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660898	0	47	-2.0	-134.34	379.70	9.16	-125.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NN1C1=CC=CC=C1)C2	REAL300005660899	0	48	-2.0	-130.58	387.58	10.95	-119.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSCC1=CC=CS1)C2	REAL300005660900	0	38	-2.0	-126.72	348.11	9.37	-117.35
COC1=CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005660901	0	44	-2.0	-131.52	359.09	9.42	-122.10
CCOC1=CC=C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660902	0	45	-2.0	-129.35	380.07	9.65	-119.70
COC1=CC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1OC	REAL300005660903	0	48	-2.0	-135.54	390.66	9.00	-126.54
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660904	0	48	-2.0	-127.43	369.07	10.39	-117.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3OCCCOC3=C1)C2	REAL300005660905	0	43	-2.0	-132.97	342.11	7.69	-125.28
CCSC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660906	0	41	-2.0	-138.70	341.82	9.64	-129.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=C1[N+](=O)[O-])OCO3)C2	REAL300005660907	0	39	-2.0	-132.27	332.95	8.07	-124.20
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005660908	0	38	-2.0	-131.99	315.06	7.12	-124.87
COC1=CC=C(SCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660909	0	42	-2.0	-129.40	358.21	8.72	-120.68
CCC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660910	0	44	-2.0	-131.43	362.24	10.85	-120.58
CCOC1=CC=C(OC(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660911	0	51	-2.0	-131.52	388.09	9.34	-122.18
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005660912	0	54	-2.0	-128.41	412.72	8.80	-119.61
CCN1C(C)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005660913	0	44	-2.0	-137.61	345.93	9.37	-128.24
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005660914	0	43	-2.0	-139.87	365.74	9.69	-130.18
CCCCCS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660915	0	45	-2.0	-136.96	380.93	6.18	-130.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCOC3)S1)C2	REAL300005660916	0	39	-2.0	-131.04	325.16	7.09	-123.95
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300005660917	0	43	-2.0	-128.74	339.77	9.67	-119.07
COC1=CC=CC=C1CC(C)=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660918	0	48	-2.0	-132.80	384.07	10.46	-122.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC1C1=CC=CC3=CC=CC=C31)C2	REAL300005660919	0	47	-2.0	-134.37	372.10	12.27	-122.10
CC1=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005660920	0	41	-2.0	-128.81	334.71	8.97	-119.84
CC1=CC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1Cl	REAL300005660921	0	44	-2.0	-129.48	373.30	10.55	-118.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C2	REAL300005660922	0	42	-2.0	-135.73	359.83	10.42	-125.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CC=C3)O1)C2	REAL300005660923	0	42	-2.0	-129.22	358.37	10.13	-119.09
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1F	REAL300005660924	0	38	-2.0	-140.90	318.53	7.27	-133.63
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660925	0	52	-2.0	-139.54	400.98	7.28	-132.26
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660926	0	54	-2.0	-133.45	403.84	9.07	-124.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3SC=CC3=C1)C2	REAL300005660927	0	37	-2.0	-132.10	319.38	9.20	-122.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CN1C=NC=N1)C2	REAL300005660928	0	43	-2.0	-141.78	352.06	11.09	-130.69
CC(C)(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660929	0	46	-2.0	-127.35	355.38	9.90	-117.45
CC1=CC=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCOCC2)C=C1	REAL300005660930	0	51	-2.0	-127.09	382.59	9.17	-117.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1CCOCC1)C2	REAL300005660931	0	42	-2.0	-126.73	340.62	7.36	-119.37
CCC(SC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660932	0	44	-2.0	-132.59	363.05	10.45	-122.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=C3)=CC=C1Cl)C2	REAL300005660933	0	44	-2.0	-135.98	374.97	11.73	-124.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCS(=O)(=O)CC1)C2	REAL300005660934	0	40	-2.0	-133.94	330.44	4.39	-129.55
CC(OC1CCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660935	0	44	-2.0	-130.23	341.58	8.71	-121.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CCC1O3)C2	REAL300005660936	0	39	-2.0	-128.33	302.38	6.21	-122.12
C=CCC(CC=C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660937	0	41	-2.0	-126.38	333.80	8.48	-117.90
CC1=CSC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660938	0	34	-2.0	-129.62	287.51	7.49	-122.13
CC1=CC(F)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005660939	0	37	-2.0	-131.15	315.94	8.62	-122.53
CC(C)(C)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660940	0	46	-2.0	-133.52	338.88	9.87	-123.65
COC1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660941	0	35	-2.0	-124.62	306.96	5.79	-118.83
CC(OC1CCCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660942	0	50	-2.0	-129.53	373.81	9.93	-119.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1CCCCC1)C2	REAL300005660943	0	44	-2.0	-129.69	346.54	9.80	-119.89
CC(C)N1C=NN=C1SCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660944	0	43	-2.0	-134.12	368.91	10.01	-124.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=C(F)C=C1)C2	REAL300005660945	0	41	-2.0	-129.33	341.46	7.95	-121.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CN=C3C=C1)C2	REAL300005660946	0	39	-2.0	-129.49	324.80	8.25	-121.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(C3=CN=CC=N3)CC1)C2	REAL300005660947	0	47	-2.0	-127.99	371.27	6.77	-121.22
CC(C)C(=O)NC1=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005660948	0	46	-2.0	-141.21	393.39	7.14	-134.07
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005660948	1	45	-3.0	-203.77	391.09	6.03	-197.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OCC3=CC=CN=C3)=C1)C2	REAL300005660949	0	47	-2.0	-137.89	385.42	9.25	-128.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCOCC3)C=C1)C2	REAL300005660950	0	47	-2.0	-131.04	363.10	6.56	-124.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1N1CCOCC1)C2	REAL300005660951	0	47	-2.0	-137.14	370.11	7.55	-129.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC3=NC=CN13)C2	REAL300005660952	0	37	-2.0	-128.50	331.11	8.34	-120.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NC=NC3=CC(F)=C1)C2	REAL300005660953	0	37	-2.0	-130.02	316.06	7.63	-122.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN1CC1=CC=CC=C1)C2	REAL300005660954	1	49	-2.0	-138.52	386.34	8.95	-129.57
COC(=O)NC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660955	0	42	-2.0	-140.06	346.59	5.99	-134.07
N#CCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660956	0	38	-2.0	-140.24	324.75	8.88	-131.36
CC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005660957	0	36	-2.0	-131.88	310.35	6.93	-124.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(=O)C1=CN(C3=CC=CC=C3)N=C1)C2	REAL300005660958	0	43	-2.0	-131.19	363.91	9.23	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3CCCC3)C=C1)C2	REAL300005660959	0	44	-2.0	-136.00	350.54	8.83	-127.17
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300005660960	0	35	-2.0	-131.82	294.64	7.29	-124.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CN1C=CC=N1)C2	REAL300005660961	0	44	-2.0	-149.81	360.89	9.47	-140.34
CC(C)(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005660962	0	42	-2.0	-127.70	332.17	7.49	-120.21
CC1=NC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)=NN1	REAL300005660963	0	43	-2.0	-136.95	359.53	8.39	-128.56
COCCCS(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660964	0	45	-2.0	-133.46	383.33	2.18	-131.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC(C3CCCC3)=NO1)C2	REAL300005660965	0	48	-2.0	-129.75	388.78	7.71	-122.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC3=CC=CC=C31)C2	REAL300005660966	0	37	-2.0	-137.98	310.17	6.99	-130.99
CNS(=O)(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660967	0	42	-2.0	-133.59	355.92	3.93	-129.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(=O)C=C1)C2	REAL300005660968	0	33	-2.0	-126.90	283.53	3.91	-122.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)N=C3C=CC=CN31)C2	REAL300005660969	0	37	-2.0	-130.03	332.64	8.90	-121.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NC=CN=C3C=C1)C2	REAL300005660970	0	38	-2.0	-132.16	319.70	6.32	-125.84
COC1=CC=C(O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660971	0	39	-2.0	-133.53	323.12	5.04	-128.49
NC(=O)NC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660972	0	40	-2.0	-144.13	328.70	3.82	-140.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CN1C1=CC=CC=C1)C2	REAL300005660973	0	41	-2.0	-138.15	338.93	10.19	-127.96
CCS(=O)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660974	0	42	-2.0	-158.99	348.12	8.83	-150.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3OCC(=O)NC3=C1)C2	REAL300005660975	0	40	-2.0	-131.58	330.02	4.98	-126.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(O)C=C1)C2	REAL300005660976	0	38	-2.0	-132.34	321.23	6.09	-126.25
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005660977	0	38	-2.0	-139.74	308.62	7.36	-132.38
CS(=O)CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005660978	0	42	-2.0	-130.56	354.98	7.00	-123.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(N3C=CC=C3)C=CS1)C2	REAL300005660979	0	39	-2.0	-131.60	330.00	9.81	-121.79
CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1N1C=CC=C1	REAL300005660980	0	42	-2.0	-134.02	341.57	9.09	-124.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3C=CC1C3)C2	REAL300005660981	0	39	-2.0	-129.84	304.16	8.50	-121.34
COC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660982	0	37	-2.0	-138.35	308.49	5.36	-132.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CNN=C3C=C1)C2	REAL300005660983	0	37	-2.0	-133.78	308.16	6.53	-127.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC3=C1CCCCC3)C2	REAL300005660984	0	43	-2.0	-134.06	340.23	8.58	-125.48
CCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005660985	0	40	-2.0	-133.59	326.22	7.15	-126.44
COC1=NC(C)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005660986	0	40	-2.0	-138.40	330.08	5.99	-132.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CCCO3)S1)C2	REAL300005660987	0	41	-2.0	-128.25	345.85	6.09	-122.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSCC(F)(F)F)C2	REAL300005660988	0	34	-2.0	-130.15	313.64	7.73	-122.42
COCC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005660989	0	40	-2.0	-126.25	344.17	5.03	-121.22
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005660990	0	46	-2.0	-134.12	353.39	7.91	-126.21
CS(=O)(=O)NCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005660991	0	42	-2.0	-149.47	368.24	3.21	-146.26
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300005660992	0	42	-2.0	-131.81	349.22	7.63	-124.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC3=CC=CC=C3C=C1)C2	REAL300005660993	0	49	-2.0	-133.01	399.23	12.79	-120.22
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=C(Cl)C=C1	REAL300005660994	0	46	-2.0	-130.64	382.50	11.46	-119.18
CC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005660995	0	41	-2.0	-130.38	313.04	6.53	-123.85
CC(C)NC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005660996	0	47	-2.0	-136.55	380.83	7.66	-128.89
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)C=C1Br	REAL300005660997	0	40	-2.0	-127.21	340.76	9.70	-117.51
CC1=CSC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C(=O)N12	REAL300005660998	0	39	-2.0	-153.96	340.60	7.68	-146.28
COC1=CC2=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005660999	0	47	-2.0	-144.10	386.20	10.16	-133.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1OC1=CC=CN=C1)C2	REAL300005661000	0	44	-2.0	-139.74	365.17	9.49	-130.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCNC(=O)C1CCCCC1)C2	REAL300005661001	0	50	-2.0	-135.42	392.47	7.66	-127.76
CC(C)CN1N=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C21	REAL300005661002	0	48	-2.0	-123.53	389.02	9.30	-114.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OC3=CC=CC=C3)=C1)C2	REAL300005661003	0	44	-2.0	-132.69	365.93	8.20	-124.49
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661004	0	43	-2.0	-129.89	363.16	9.19	-120.70
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661005	0	43	-2.0	-131.14	357.05	8.40	-122.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)C1=CC3=C(CCC3)S1)C2	REAL300005661006	0	45	-2.0	-130.35	382.58	7.75	-122.60
CNC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661007	0	40	-2.0	-125.62	336.80	4.29	-121.33
CN(C)C(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661008	0	44	-2.0	-133.31	355.84	7.62	-125.69
CN(C)C(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661009	0	44	-2.0	-136.15	352.13	7.61	-128.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3=CN=CC=N3)=N1)C2	REAL300005661010	0	38	-2.0	-143.89	338.47	5.65	-138.24
CN1C=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1=O	REAL300005661011	0	37	-2.0	-160.12	313.27	6.84	-153.28
CNS(=O)(=O)C1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661012	0	39	-2.0	-129.49	354.40	2.61	-126.88
COC1=CC=C(C2=CN=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=C1	REAL300005661013	0	47	-2.0	-131.22	380.82	8.82	-122.40
CC1=CC=CC(C2=CN=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)=C1	REAL300005661014	0	46	-2.0	-129.93	370.08	10.07	-119.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=C1C=CS3)C2	REAL300005661015	0	41	-2.0	-139.65	341.98	9.39	-130.26
CC1=CC=C(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)S2)O1	REAL300005661016	0	41	-2.0	-129.95	355.98	9.67	-120.28
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)S1	REAL300005661017	0	37	-2.0	-130.84	334.03	8.58	-122.26
CCC(C)OC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005661018	0	46	-2.0	-127.94	369.57	7.18	-120.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(C1CC1)C1CC1)C2	REAL300005661019	0	41	-2.0	-130.01	330.79	9.41	-120.60
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005661020	0	47	-2.0	-136.02	366.14	8.91	-127.11
CCC(C)N1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1CC1	REAL300005661021	0	50	-2.0	-133.95	389.57	9.63	-124.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCOC1CCOCC1)C2	REAL300005661022	0	45	-2.0	-128.72	358.82	6.28	-122.44
CCOC1=CC(Cl)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661023	0	41	-2.0	-134.16	349.76	9.24	-124.92
C=CCOC1=CC(OC)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661024	0	46	-2.0	-137.40	375.35	8.62	-128.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=CC=C1OCC(F)(F)F)C2	REAL300005661025	0	40	-2.0	-144.77	348.01	8.88	-135.89
C=CCOC1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661026	0	41	-2.0	-142.23	341.34	9.01	-133.22
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=C(C)C=C1	REAL300005661027	0	47	-2.0	-144.70	382.76	10.57	-134.13
COC1=CC=C(N2N=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C)C=C1	REAL300005661028	0	48	-2.0	-140.57	392.38	9.24	-131.33
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C(C)C	REAL300005661029	0	43	-2.0	-135.01	341.06	7.56	-127.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC=C1Br)C2	REAL300005661030	0	33	-2.0	-130.34	295.82	6.68	-123.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=CC=CC=C3C=C1)C2	REAL300005661031	0	39	-2.0	-139.69	326.66	9.04	-130.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3=CC=CC=C3OC3=CC=CC=C31)C2	REAL300005661032	0	46	-2.0	-139.45	382.70	10.84	-128.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OCC3=CC=CC=C3)=C1)C2	REAL300005661033	0	47	-2.0	-128.91	388.58	8.50	-120.41
COC1=CC=C(C(=O)NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661034	0	45	-2.0	-130.00	373.96	6.03	-123.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(=O)NC3=CC=CC=C31)C2	REAL300005661035	0	40	-2.0	-134.27	338.76	7.05	-127.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCCC3=NC3=CC=CC=C31)C2	REAL300005661036	0	46	-2.0	-136.07	373.43	10.17	-125.90
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661037	0	48	-2.0	-134.44	393.74	8.20	-126.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)C1=CC=CS1)C2	REAL300005661038	0	38	-2.0	-127.69	339.94	5.66	-122.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)C1=CC=CC(F)=C1)C2	REAL300005661039	0	41	-2.0	-129.60	350.97	6.79	-122.81
COC1=CC=CC(C(=O)NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661040	0	45	-2.0	-132.03	374.03	6.02	-126.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)C1=CC=C3OCOC3=C1)C2	REAL300005661041	0	44	-2.0	-130.63	370.58	5.40	-125.23
CCOC1=CC=C(C(=O)NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661042	0	48	-2.0	-129.68	395.82	6.98	-122.70
CC1=CC(Br)=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661043	0	40	-2.0	-128.19	352.25	9.84	-118.35
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1=CC=CC=N1	REAL300005661044	0	47	-2.0	-132.91	377.96	9.41	-123.50
CC1=CN(CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NO2)N=C1	REAL300005661045	0	43	-2.0	-141.11	366.23	8.10	-133.01
CC1(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661046	0	41	-2.0	-127.10	330.62	8.07	-119.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CN=C3)C=C1)C2	REAL300005661047	0	44	-2.0	-131.82	366.16	8.78	-123.04
CC(=O)NC1=CC=C(F)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661048	0	41	-2.0	-128.58	349.01	6.56	-122.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1SC(F)(F)F)C2	REAL300005661049	0	37	-2.0	-133.84	334.68	8.09	-125.75
CC(C)(CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661050	0	49	-2.0	-126.74	382.38	11.04	-115.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CO3)NC1=O)C2	REAL300005661051	0	41	-2.0	-156.89	352.49	6.58	-150.31
CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1CC1	REAL300005661052	0	41	-2.0	-133.94	327.92	7.44	-126.50
CC1=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C(C3CC3)N=C2C=C1	REAL300005661053	0	49	-2.0	-134.08	391.69	10.90	-123.18
COC1=NC=NC(OC)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661054	0	40	-2.0	-135.37	347.14	2.97	-132.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC3=CC=CN=C31)C2	REAL300005661055	0	39	-2.0	-144.68	328.87	8.47	-136.21
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COCCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661078	0	41	-2.0	-130.57	333.06	6.61	-123.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C3NC=CC3=C1)C2	REAL300005661079	0	44	-2.0	-134.07	362.98	9.79	-124.28
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NC2=CC=CC=C21	REAL300005661080	0	42	-2.0	-134.60	339.53	8.74	-125.86
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661081	0	36	-2.0	-143.52	318.16	6.45	-137.07
COC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005661082	0	42	-2.0	-130.93	355.04	8.80	-122.13
COC1=C(F)C=CC(F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661083	0	38	-2.0	-136.04	334.50	7.65	-128.39
CC1=CC(Cl)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005661084	0	40	-2.0	-134.00	336.35	9.59	-124.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3C=CSC3=C1)C2	REAL300005661085	0	36	-2.0	-129.92	309.85	7.16	-122.76
CC1=C(C)N2C(=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=O)S1	REAL300005661086	0	42	-2.0	-140.47	360.83	8.17	-132.30
CC(C)OC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661087	0	43	-2.0	-124.49	343.81	6.88	-117.61
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661088	0	41	-2.0	-129.58	335.55	8.75	-120.83
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC(C2CC2)=N1	REAL300005661089	0	40	-2.0	-128.59	332.81	6.03	-122.56
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005661090	0	46	-2.0	-136.61	337.03	8.85	-127.76
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCCC1	REAL300005661091	0	46	-2.0	-137.56	320.05	8.86	-128.70
CC1=NC(CC(C)C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661092	0	45	-2.0	-126.48	362.97	7.85	-118.63
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CNC(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661094	0	41	-2.0	-145.53	335.89	6.03	-139.50
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC(C2=CC=CC=C2)=N1	REAL300005661095	0	43	-2.0	-133.75	359.45	7.37	-126.38
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005661096	0	40	-2.0	-128.04	345.79	9.96	-118.08
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CC(C)(C)C1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661101	0	55	-2.0	-130.16	398.85	11.20	-118.96
CC(CCCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661102	0	49	-2.0	-126.95	390.42	11.66	-115.29
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005661103	0	43	-2.0	-129.80	352.29	10.05	-119.75
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CC(CC1=CC=CC(Cl)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661105	0	43	-2.0	-124.91	362.39	10.36	-114.55
CN1C(=O)NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C21	REAL300005661106	0	41	-2.0	-129.51	337.29	6.61	-122.90
CC1(C)CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661107	0	49	-2.0	-130.13	364.02	10.10	-120.03
CC(C)CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(=O)N1	REAL300005661108	0	46	-2.0	-132.74	375.16	7.53	-125.21
CC(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661109	0	39	-2.0	-126.16	332.94	7.03	-119.13
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CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661111	0	47	-2.0	-142.38	369.62	3.89	-138.49
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COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300005661113	0	43	-2.0	-129.49	354.66	7.46	-122.03
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CC(C)OC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661115	0	43	-2.0	-136.44	353.35	7.05	-129.39
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CCOC1=CC=CC=C1C(F)(F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661117	0	44	-2.0	-137.98	369.88	8.94	-129.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3=COC=C3)=C1)C2	REAL300005661118	0	41	-2.0	-132.14	338.27	9.33	-122.81
CCN1N=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661119	0	41	-2.0	-127.02	347.52	7.66	-119.36
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OC3CCOC3)=C1)C2	REAL300005661121	0	45	-2.0	-129.09	363.44	5.06	-124.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3N=S=NC3=C1)C2	REAL300005661122	0	35	-2.0	-129.64	303.51	6.03	-123.61
CCC1=NN(C)C(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661123	0	40	-2.0	-130.60	345.48	7.41	-123.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OC3CCCCC3)=C1)C2	REAL300005661124	0	50	-2.0	-129.78	390.34	8.29	-121.49
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661125	0	45	-2.0	-127.46	376.80	10.70	-116.76
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CC(C)COC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005661127	0	46	-2.0	-124.89	385.90	7.47	-117.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CN=C1C1=CC=CC=C1)C2	REAL300005661128	0	42	-2.0	-133.53	348.82	9.27	-124.26
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC(C)=CC(C)=C1	REAL300005661129	0	50	-2.0	-139.79	408.04	11.29	-128.50
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CS2)=N1	REAL300005661130	0	41	-2.0	-132.20	349.27	8.33	-123.87
CN1C(=O)CCC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005661131	0	45	-2.0	-130.86	355.03	8.63	-122.23
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CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661133	0	49	-2.0	-145.30	384.69	8.07	-137.23
CCS(=O)(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661134	0	43	-2.0	-137.80	361.47	6.17	-131.63
COC1=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005661135	0	45	-2.0	-138.65	373.75	7.94	-130.71
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Br)N=CS1)C2	REAL300005661139	0	30	-2.0	-129.94	289.04	5.06	-124.88
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661140	0	47	-2.0	-129.99	381.44	10.25	-119.74
COCCOC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005661141	0	44	-2.0	-129.59	362.29	4.72	-124.87
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661142	0	43	-2.0	-141.09	370.76	10.41	-130.68
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CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(=O)(=O)C1=CC=CN=C1	REAL300005661144	0	44	-2.0	-127.41	382.03	4.78	-122.63
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CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005661146	0	50	-2.0	-133.77	398.86	10.52	-123.25
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CC1=NC=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661148	0	35	-2.0	-126.61	290.98	6.43	-120.18
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C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661150	0	50	-2.0	-133.63	387.78	7.58	-126.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC3=CC=CC=C31)C2	REAL300005661151	0	39	-2.0	-136.82	322.02	8.37	-128.45
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005661152	0	43	-2.0	-131.81	356.49	10.26	-121.55
CC(C)CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1CC1	REAL300005661153	0	50	-2.0	-134.10	383.79	9.41	-124.69
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CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661155	0	44	-2.0	-135.83	370.94	10.55	-125.28
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)O2)=C1	REAL300005661156	0	50	-2.0	-139.08	407.45	11.86	-127.22
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C=N1)C2	REAL300005661158	0	33	-2.0	-130.49	295.56	7.44	-123.05
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COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661167	0	37	-2.0	-136.51	312.98	5.43	-131.08
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661189	0	40	-2.0	-126.76	324.35	9.34	-117.42
COC1=CC=C(C(=O)CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661190	0	46	-2.0	-131.78	381.13	8.88	-122.90
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CC1=CC(Cl)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661192	0	37	-2.0	-128.40	317.43	8.96	-119.44
COC1=CC=C(C(=O)CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005661193	0	46	-2.0	-133.15	387.42	8.95	-124.20
COC1=C(C)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005661194	0	44	-2.0	-129.76	350.44	8.56	-121.20
CC(C)OC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661195	0	48	-2.0	-132.64	388.51	10.27	-122.37
COC1=CC=C(C(=O)CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661196	0	49	-2.0	-133.81	405.87	9.62	-124.19
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300005661197	0	39	-2.0	-126.58	327.80	9.02	-117.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1CCC3)C2	REAL300005661198	0	41	-2.0	-134.74	328.82	9.77	-124.97
CC(C)OCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661199	0	43	-2.0	-130.91	347.50	7.52	-123.39
C[C@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661200	0	40	-2.0	-130.06	328.56	8.94	-121.12
CO[C@@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661201	0	41	-2.0	-129.60	335.64	8.77	-120.83
CCN(CC)C(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661202	0	50	-2.0	-138.51	389.55	9.25	-129.26
CC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661203	0	37	-2.0	-131.71	321.54	8.70	-123.01
CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(C)C)=N1	REAL300005661204	0	44	-2.0	-128.35	354.04	7.77	-120.58
CN1C=C([N+](=O)[O-])C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661205	0	36	-2.0	-141.42	311.89	7.81	-133.61
CC1=CC=CC(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661206	0	43	-2.0	-131.27	344.30	9.96	-121.31
CCCCCCC(CC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661207	0	51	-2.0	-131.23	393.27	10.84	-120.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCCO1)C2	REAL300005661208	0	41	-2.0	-129.72	323.09	7.82	-121.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CCC3)C=C1)C2	REAL300005661209	0	44	-2.0	-134.50	348.83	9.97	-124.53
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005661210	0	47	-2.0	-132.06	375.37	9.28	-122.78
CC1=CC=C(CC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661211	0	46	-2.0	-128.72	368.53	10.74	-117.98
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661212	0	40	-2.0	-129.71	334.35	9.10	-120.61
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOCC1	REAL300005661213	0	44	-2.0	-126.53	338.02	7.06	-119.47
COCCOC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661214	0	45	-2.0	-138.83	384.32	8.85	-129.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCCOC1)C2	REAL300005661215	0	44	-2.0	-132.76	346.96	7.14	-125.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC13CCC1=CC=CC=C13)C2	REAL300005661216	0	45	-2.0	-134.55	363.43	11.23	-123.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC13CCS(=O)(=O)CC3)C2	REAL300005661217	0	44	-2.0	-138.25	362.01	5.71	-132.54
CCSC1=CC(Cl)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661218	0	41	-2.0	-133.43	358.51	10.15	-123.28
CC(C)CC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661219	0	45	-2.0	-128.37	329.45	8.36	-120.01
CCC1=CC=C(C(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661220	0	49	-2.0	-132.24	369.96	11.25	-120.99
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC(C)C)=C1	REAL300005661221	0	48	-2.0	-138.51	380.17	8.70	-129.81
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300005661222	0	49	-2.0	-140.65	393.91	9.75	-130.90
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005661223	0	50	-2.0	-131.08	393.60	10.04	-121.04
CS(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005661224	0	37	-2.0	-135.17	333.29	4.32	-130.85
COC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661225	0	41	-2.0	-130.20	323.06	7.45	-122.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC=N1)C2	REAL300005661226	0	39	-2.0	-130.75	325.79	7.97	-122.78
CC1=NN(C)C2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005661227	0	42	-2.0	-126.84	344.62	7.45	-119.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=NC=N3)N=C1)C2	REAL300005661228	0	39	-2.0	-124.94	333.41	9.54	-115.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=N1)C2	REAL300005661229	0	36	-2.0	-129.70	317.94	7.94	-121.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1N1C=CC=N1)C2	REAL300005661230	0	40	-2.0	-137.64	334.25	8.62	-129.02
CC1=NN(C)C(=O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661231	0	42	-2.0	-131.58	344.79	6.26	-125.32
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)NC(C(C)(C)C)=N1	REAL300005661232	0	48	-2.0	-148.84	384.70	7.38	-141.46
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005661232	1	47	-3.0	-222.91	383.57	6.16	-216.75
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661233	0	39	-2.0	-146.32	329.27	10.13	-136.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=CC3=CC=CC=C31)C2	REAL300005661234	0	39	-2.0	-140.36	318.83	9.12	-131.24
CCC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661235	0	40	-2.0	-135.65	320.50	9.19	-126.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(F)C(F)=C1)C2	REAL300005661236	0	37	-2.0	-128.98	322.92	9.07	-119.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=C(F)C=CC=C1F)C2	REAL300005661237	0	37	-2.0	-134.02	320.83	9.00	-125.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=CC(Cl)=C3)=C1)C2	REAL300005661238	0	40	-2.0	-133.13	356.69	9.85	-123.28
CC1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661239	0	36	-2.0	-135.41	299.42	7.43	-127.98
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661240	0	43	-2.0	-131.04	362.40	9.79	-121.25
CC1=CC(C)=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005661241	0	46	-2.0	-131.77	365.71	10.63	-121.14
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005661242	0	38	-2.0	-126.32	315.02	7.09	-119.23
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CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005661244	0	44	-2.0	-136.15	351.82	8.76	-127.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C(F)=C1)C2	REAL300005661245	0	34	-2.0	-124.81	302.02	8.31	-116.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC3=CC=C(Cl)C=C13)C2	REAL300005661246	0	40	-2.0	-134.20	367.33	10.62	-123.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC=C1Cl)C2	REAL300005661247	0	33	-2.0	-130.72	291.80	6.57	-124.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1C(F)(F)F)C2	REAL300005661248	0	36	-2.0	-140.12	311.43	6.92	-133.20
CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Br	REAL300005661249	0	37	-2.0	-128.79	323.05	8.98	-119.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(F)=C1F)C2	REAL300005661250	0	37	-2.0	-129.06	325.91	8.84	-120.22
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Br)=C1	REAL300005661251	0	37	-2.0	-133.12	322.50	9.08	-124.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(F)C=C1F)C2	REAL300005661252	0	37	-2.0	-138.08	325.53	8.65	-129.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OC(F)(F)F)=C1)C2	REAL300005661253	0	38	-2.0	-128.54	325.31	7.56	-120.98
CC1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661254	0	43	-2.0	-132.32	331.11	8.40	-123.92
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661255	0	38	-2.0	-125.23	324.87	7.35	-117.88
CC(=O)C1=CNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661256	0	37	-2.0	-134.77	312.10	6.72	-128.05
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661257	0	43	-2.0	-130.21	364.92	9.32	-120.89
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661258	0	46	-2.0	-130.44	372.38	10.28	-120.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C2C=NN(C(C)C)C2=N1	REAL300005661259	0	48	-2.0	-128.67	387.63	9.13	-119.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3CCC4=C3C1=CC=C4)C2	REAL300005661260	0	44	-2.0	-143.63	349.80	11.10	-132.53
COC1=CC2=NC(C)=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005661261	0	46	-2.0	-127.07	375.67	7.82	-119.25
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005661262	0	47	-2.0	-122.94	376.50	6.61	-116.33
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=NN(C(C)C)C2=N1	REAL300005661263	0	48	-2.0	-125.74	391.76	9.20	-116.54
COC1=CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2C=C1	REAL300005661264	0	43	-2.0	-138.03	353.52	8.32	-129.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=C(Cl)C=C3)=C1)C2	REAL300005661265	0	40	-2.0	-132.49	356.68	9.86	-122.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300005661266	0	42	-2.0	-142.96	354.20	9.27	-133.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=CC4=C3C=CC=C4)N1)C2	REAL300005661267	0	44	-2.0	-131.86	359.11	10.51	-121.35
COC1=CC=C(SC)C(OC)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661268	0	46	-2.0	-143.03	390.50	7.93	-135.10
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661269	0	46	-2.0	-143.22	392.38	7.37	-135.85
CC1=CC(C)=C(Br)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661270	0	40	-2.0	-132.67	340.67	9.65	-123.02
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661271	0	46	-2.0	-131.63	373.53	9.67	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3=CC=CC=C3)N=C1)C2	REAL300005661272	0	47	-2.0	-124.51	391.82	8.45	-116.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1OCC(F)(F)F)C2	REAL300005661273	0	40	-2.0	-140.34	349.93	6.75	-133.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CC=C3)N=C1)C2	REAL300005661274	0	44	-2.0	-124.87	369.14	8.14	-116.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1Br)C2	REAL300005661275	0	38	-2.0	-132.77	339.55	9.51	-123.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=CC=C3)C3=C1N=CC=C3)C2	REAL300005661276	0	45	-2.0	-151.17	366.27	10.54	-140.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)C3=CC=CN=C13)C2	REAL300005661277	0	39	-2.0	-133.56	338.28	8.92	-124.64
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661278	0	48	-2.0	-130.25	386.59	10.13	-120.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC(=O)COC1=CC=CC=C1)C2	REAL300005661279	0	45	-2.0	-132.37	378.10	7.29	-125.08
CC(NC(=O)C1=CC=CO1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661280	0	41	-2.0	-132.34	346.72	5.35	-126.99
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1C	REAL300005661281	0	51	-2.0	-136.66	405.54	12.73	-123.93
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=C1C=CC1=C2C=CC=C1	REAL300005661282	0	46	-2.0	-137.57	377.45	11.59	-125.98
CC1=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C(C)N=C2C=C1	REAL300005661283	0	45	-2.0	-136.61	363.45	9.46	-127.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C1=CC=CC=C1)C2	REAL300005661284	0	45	-2.0	-130.02	389.59	5.24	-124.78
CCCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005661285	0	50	-2.0	-134.92	397.99	10.90	-124.02
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=C1C(=O)CC(C)(C)C2	REAL300005661286	0	50	-2.0	-130.46	386.48	9.18	-121.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1OC3=CC=CC=C3NC1=O)C2	REAL300005661287	0	43	-2.0	-132.42	358.53	7.00	-125.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NC3=CC=CC=C31)C2	REAL300005661288	0	46	-2.0	-136.97	369.81	10.15	-126.82
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661289	0	48	-2.0	-133.00	380.70	10.03	-122.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCS1(=O)=O)C2	REAL300005661290	0	40	-2.0	-140.73	332.21	4.41	-136.32
CC(=O)C1=C(C)NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(C)C	REAL300005661291	0	49	-2.0	-132.42	381.28	8.94	-123.48
CC1=NOC(C)=C1C(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661292	0	45	-2.0	-128.95	356.76	8.78	-120.17
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005661293	0	43	-2.0	-138.58	358.66	7.91	-130.67
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661294	0	50	-2.0	-135.36	406.15	10.58	-124.78
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1CCOCC1	REAL300005661295	0	48	-2.0	-135.99	373.65	7.04	-128.95
CCC(CC)N1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005661296	0	49	-2.0	-139.32	389.23	9.69	-129.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC1C1=CC=CC=C1Cl)C2	REAL300005661297	0	41	-2.0	-128.82	343.75	10.58	-118.24
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661298	0	44	-2.0	-138.60	368.69	10.29	-128.31
CCOC1=C(Cl)C=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661299	0	44	-2.0	-132.26	377.96	9.55	-122.71
CCOCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661300	0	41	-2.0	-132.05	334.38	6.96	-125.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CC(C3=CC=CC=C3)C1)C2	REAL300005661301	0	47	-2.0	-130.54	377.97	11.26	-119.28
CCC(CC)C(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661302	0	45	-2.0	-129.15	330.77	8.77	-120.38
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661303	0	46	-2.0	-144.66	382.24	6.79	-137.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3CCOC3)=C1)C2	REAL300005661304	0	45	-2.0	-130.60	354.09	8.34	-122.26
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661305	0	46	-2.0	-136.01	378.25	6.54	-129.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCCN3N=C1)C2	REAL300005661306	0	38	-2.0	-135.43	308.07	6.37	-129.06
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300005661307	0	40	-2.0	-133.34	340.48	9.94	-123.40
COC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005661308	0	44	-2.0	-129.69	328.74	6.85	-122.84
COC1=CC2=CC=C([C@H](C)C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005661309	0	50	-2.0	-134.83	400.73	10.62	-124.21
C[C@@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661310	0	40	-2.0	-126.82	323.62	9.36	-117.46
CC[C@H]1CC[C@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661311	0	46	-2.0	-128.18	352.21	9.64	-118.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C(F)F)=C1)C2	REAL300005661312	0	37	-2.0	-130.99	311.50	8.60	-122.39
COC1=CC=C(F)C=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661313	0	41	-2.0	-132.33	348.91	8.17	-124.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=CC=C(C)C=C21	REAL300005661314	0	44	-2.0	-130.86	351.54	9.59	-121.27
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C(C)C)O1	REAL300005661315	0	43	-2.0	-130.11	346.33	8.95	-121.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C(F)(F)F)=N1)C2	REAL300005661316	0	33	-2.0	-136.17	309.15	6.66	-129.51
CC(CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661317	0	46	-2.0	-130.65	367.39	10.89	-119.76
CC1=CC=C2C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CSC2=C1	REAL300005661318	0	40	-2.0	-131.88	335.02	9.84	-122.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C(F)(F)F)N=C1)C2	REAL300005661319	0	35	-2.0	-119.81	314.85	6.12	-113.69
CCC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661320	0	43	-2.0	-134.36	349.36	9.67	-124.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)(F)F)SC=N1)C2	REAL300005661321	0	33	-2.0	-134.28	303.16	6.86	-127.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(C1=CC=CC=C1)C1CC1)C2	REAL300005661322	0	44	-2.0	-131.01	351.24	10.55	-120.46
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300005661323	0	40	-2.0	-130.81	332.61	9.37	-121.44
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661324	0	41	-2.0	-132.46	324.59	6.00	-126.46
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CO1	REAL300005661325	0	37	-2.0	-131.83	301.08	7.39	-124.44
C=CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661326	0	41	-2.0	-131.19	322.87	8.12	-123.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CNC3=CC=C(Cl)C=C13)C2	REAL300005661327	0	41	-2.0	-135.32	362.42	9.11	-126.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCOC1)C2	REAL300005661328	0	41	-2.0	-132.08	330.36	6.38	-125.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NO1)C2	REAL300005661329	0	37	-2.0	-130.36	312.31	7.57	-122.79
CC(CC1=CC=CC=C1Cl)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661330	0	43	-2.0	-129.15	360.50	10.44	-118.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(Cl)S1)C2	REAL300005661331	0	34	-2.0	-132.98	320.97	8.27	-124.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3F)CC1)C2	REAL300005661332	0	44	-2.0	-136.05	363.61	10.57	-125.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1CCOCC1)C2	REAL300005661333	0	47	-2.0	-125.81	368.27	8.25	-117.56
COC1=CC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1F	REAL300005661334	0	44	-2.0	-137.45	366.39	9.08	-128.37
CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005661335	0	46	-2.0	-138.75	332.88	8.81	-129.94
CC1(C)CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661336	0	46	-2.0	-132.11	347.09	8.84	-123.27
CC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1	REAL300005661337	0	44	-2.0	-128.71	365.30	10.70	-118.01
CCOC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005661338	0	44	-2.0	-130.15	340.67	7.43	-122.72
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CO1	REAL300005661339	0	40	-2.0	-132.03	321.07	8.02	-124.01
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005661340	0	43	-2.0	-127.30	353.14	10.10	-117.20
CC1(C)CCCCC1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661341	0	49	-2.0	-129.20	355.55	9.79	-119.41
COCC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661342	0	44	-2.0	-131.59	365.27	8.67	-122.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3C=CCCC3=C1)C2	REAL300005661343	0	42	-2.0	-131.62	334.43	10.11	-121.51
CSC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1F	REAL300005661344	0	38	-2.0	-125.71	325.26	8.79	-116.92
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(F)(F)F	REAL300005661345	0	39	-2.0	-125.04	318.33	8.08	-116.96
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661346	0	47	-2.0	-133.85	376.89	11.53	-122.32
COC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC)=C1	REAL300005661347	0	51	-2.0	-133.41	410.90	9.18	-124.23
COC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005661348	0	42	-2.0	-133.51	348.54	7.60	-125.91
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCOC1	REAL300005661349	0	41	-2.0	-136.71	308.55	6.20	-130.51
CS(=O)(=O)C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661350	0	40	-2.0	-130.82	318.13	4.67	-126.15
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C(F)(F)F)=N1	REAL300005661351	0	38	-2.0	-132.58	341.11	7.43	-125.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=COC=C1)C2	REAL300005661352	0	37	-2.0	-130.64	312.35	7.70	-122.94
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Br	REAL300005661353	0	40	-2.0	-131.72	349.71	10.13	-121.59
CSC(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661354	0	37	-2.0	-130.23	310.76	7.75	-122.48
COC1=CC=C(F)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1OC	REAL300005661355	0	42	-2.0	-139.45	357.48	7.48	-131.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C2	REAL300005661356	0	46	-2.0	-131.06	391.84	11.53	-119.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC(F)=CC=C1F)C2	REAL300005661357	0	43	-2.0	-131.13	364.97	10.63	-120.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C(C(F)(F)F)C=C3)CC1)C2	REAL300005661358	0	44	-2.0	-127.18	373.98	10.80	-116.38
CCCOC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661359	0	47	-2.0	-134.44	383.07	9.97	-124.47
CC(C)CC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661360	0	52	-2.0	-129.47	412.81	12.43	-117.04
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OCC(C)C)=C1	REAL300005661361	0	51	-2.0	-138.99	404.05	9.51	-129.48
CCCN1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005661362	0	47	-2.0	-136.40	377.20	10.98	-125.42
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661363	0	46	-2.0	-138.07	385.12	5.21	-132.86
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300005661364	0	43	-2.0	-131.71	353.18	8.36	-123.35
CCCOC1=CC(OC)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661365	0	48	-2.0	-137.75	383.95	8.83	-128.92
CCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C	REAL300005661366	0	45	-2.0	-129.71	335.73	8.73	-120.98
COC1=CC=C(CC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005661367	0	51	-2.0	-131.49	405.94	9.25	-122.24
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1F	REAL300005661368	0	43	-2.0	-135.17	351.76	9.69	-125.48
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661369	0	38	-2.0	-130.29	343.95	9.12	-121.17
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661370	0	48	-2.0	-138.58	391.85	11.80	-126.78
CCC(C)(C)C1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661371	0	58	-2.0	-130.40	413.08	11.69	-118.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3Cl)CC1)C2	REAL300005661372	0	44	-2.0	-136.44	363.84	10.40	-126.04
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661373	0	43	-2.0	-148.78	361.84	6.26	-142.52
COC1=CC=C(OC)C(C2CC2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661374	0	49	-2.0	-136.84	387.27	8.80	-128.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC(F)=C3)CCC1)C2	REAL300005661375	0	47	-2.0	-141.79	373.87	10.70	-131.09
CCC1=CC=C2OC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005661376	0	43	-2.0	-132.89	350.85	9.70	-123.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CCC(F)(F)F)C2	REAL300005661377	0	43	-2.0	-133.65	359.76	10.28	-123.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C2	REAL300005661378	0	40	-2.0	-129.14	351.20	9.88	-119.26
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005661379	0	45	-2.0	-133.64	364.33	10.25	-123.39
CC(C)(COCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661380	0	50	-2.0	-126.79	396.16	9.66	-117.13
CC1=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005661381	0	47	-2.0	-136.15	387.18	11.25	-124.90
CC1=CC2=C(C=C1C)C(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CO2	REAL300005661382	0	45	-2.0	-138.48	363.80	9.11	-129.37
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC=C1	REAL300005661383	0	40	-2.0	-132.82	325.53	8.26	-124.56
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661384	0	39	-2.0	-153.67	333.63	9.53	-144.14
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005661385	0	39	-2.0	-134.01	324.26	7.83	-126.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(F)C(Cl)=C1)C2	REAL300005661386	0	34	-2.0	-124.81	302.01	8.29	-116.52
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005661387	0	40	-2.0	-134.94	341.32	8.50	-126.44
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Br	REAL300005661388	0	37	-2.0	-127.48	318.90	8.93	-118.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(F)C=C1Cl)C2	REAL300005661389	0	37	-2.0	-135.95	334.02	9.03	-126.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(OC(F)(F)F)=C1)C2	REAL300005661390	0	41	-2.0	-131.35	356.21	8.74	-122.61
CC1=C(Cl)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661391	0	37	-2.0	-125.55	318.46	8.85	-116.70
COC1=CC=C2OCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2=C1	REAL300005661392	0	46	-2.0	-131.03	369.26	7.78	-123.25
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1F	REAL300005661393	0	40	-2.0	-126.51	326.30	9.08	-117.43
CCC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661394	0	41	-2.0	-133.40	345.26	9.20	-124.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300005661395	0	37	-2.0	-124.18	334.77	9.26	-114.92
CCC(CC1=CC=CC=C1C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661396	0	49	-2.0	-131.82	377.79	11.17	-120.65
CC(=O)NC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661397	0	44	-2.0	-146.45	366.30	7.85	-138.60
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(Br)O1	REAL300005661398	0	34	-2.0	-126.58	303.84	7.43	-119.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC(F)C1)C2	REAL300005661399	0	40	-2.0	-132.66	316.69	7.88	-124.78
C=CCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005661400	0	40	-2.0	-136.18	342.78	6.88	-129.30
C=CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005661401	0	45	-2.0	-131.06	331.63	6.93	-124.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1C3CCC(CC3)[C@@H]1C(F)(F)F)C2	REAL300005661402	0	47	-2.0	-132.42	362.35	9.69	-122.73
CC1CCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661403	0	43	-2.0	-132.65	323.71	8.71	-123.94
CC1=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C	REAL300005661404	0	37	-2.0	-138.14	320.95	7.11	-131.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3CC3C1)C2	REAL300005661405	0	41	-2.0	-128.61	318.94	9.01	-119.60
CC1=C(F)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661406	0	37	-2.0	-125.80	310.18	8.21	-117.59
CS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661407	0	37	-2.0	-137.10	334.10	4.52	-132.58
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005661408	0	45	-2.0	-134.02	355.32	9.24	-124.78
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661409	0	42	-2.0	-142.14	345.56	9.65	-132.49
CN1N=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005661410	0	43	-2.0	-134.65	363.40	8.76	-125.89
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1N1C=CC=N1	REAL300005661411	0	44	-2.0	-133.97	353.04	9.87	-124.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3=CC=NC=C3)C=C1)C2	REAL300005661412	0	47	-2.0	-132.57	388.55	9.22	-123.35
CC1=C(Br)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661413	0	34	-2.0	-126.38	311.69	8.22	-118.16
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1(F)F	REAL300005661414	0	34	-2.0	-126.28	294.46	6.99	-119.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(OC3=CC=CC=C3)CC1)C2	REAL300005661415	0	42	-2.0	-131.39	343.63	8.83	-122.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=C(F)C=CC=C3F)CCC1)C2	REAL300005661416	0	44	-2.0	-139.70	354.17	9.89	-129.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=CN=CC=C3C=C1)C2	REAL300005661417	0	38	-2.0	-137.55	321.54	7.27	-130.28
CC1=C2OC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=CC=C1	REAL300005661418	0	40	-2.0	-132.34	329.38	8.93	-123.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(N3C=NN=C3)C=C1)C2	REAL300005661419	0	43	-2.0	-135.25	361.13	11.92	-123.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC(OC(F)F)=C1)C2	REAL300005661420	0	44	-2.0	-132.40	370.87	9.33	-123.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3=C(F)C=CC=C3F)=N1)C2	REAL300005661421	0	40	-2.0	-139.73	351.27	7.73	-132.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3CCCC3=N1)C2	REAL300005661422	0	38	-2.0	-144.04	310.64	8.16	-135.88
CC1=CSC(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661423	0	42	-2.0	-132.49	359.70	8.24	-124.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=CC=C(F)C=C13)C2	REAL300005661424	0	37	-2.0	-131.64	314.37	8.33	-123.31
CC1CCN2N=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C1	REAL300005661425	0	44	-2.0	-133.49	343.99	7.86	-125.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC(Cl)=C3S1)C2	REAL300005661426	0	37	-2.0	-135.95	335.81	9.73	-126.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=NN=C1C1=CSC=C1)C2	REAL300005661427	0	39	-2.0	-138.81	347.72	6.43	-132.38
CN1N=C(C2CC2)N=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661428	0	43	-2.0	-141.46	363.15	8.02	-133.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=CC=NC=C31)C2	REAL300005661429	0	39	-2.0	-131.38	324.98	8.26	-123.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C2	REAL300005661430	0	45	-2.0	-142.41	357.52	8.91	-133.50
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC2=CC=CC=C21	REAL300005661431	0	44	-2.0	-131.78	341.29	10.04	-121.74
CC1=CC=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2)C=C1	REAL300005661432	0	47	-2.0	-134.47	368.45	10.83	-123.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3F)CCC1)C2	REAL300005661433	0	44	-2.0	-136.23	345.21	10.33	-125.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=CC3=CC=C(F)C=C31)C2	REAL300005661434	0	41	-2.0	-133.79	353.27	10.04	-123.75
CC1=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C(Cl)C=C2C=C1	REAL300005661435	0	42	-2.0	-145.43	361.02	9.57	-135.86
CSC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661436	0	47	-2.0	-131.91	393.32	11.57	-120.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCC1C1CC1)C2	REAL300005661437	0	47	-2.0	-127.31	355.73	9.84	-117.47
COCC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661438	0	41	-2.0	-129.53	333.46	7.17	-122.36
C=CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005661439	0	37	-2.0	-135.19	317.77	6.11	-129.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3OCCCC3=C1)C2	REAL300005661440	0	45	-2.0	-132.79	363.92	9.58	-123.21
CC1CC(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661441	0	41	-2.0	-126.51	322.78	7.95	-118.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COCCN1CC(F)(F)F)C2	REAL300005661442	0	43	-2.0	-131.02	337.82	4.22	-126.80
CC(C)(C)N1C=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661443	0	42	-2.0	-140.14	341.58	8.81	-131.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=C3C=CC=CN3N=C1)C2	REAL300005661444	0	40	-2.0	-141.55	341.44	8.35	-133.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3CCOCC3=C1)C2	REAL300005661445	0	39	-2.0	-138.63	319.58	5.35	-133.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=NC=NC=C3C1)C2	REAL300005661446	0	42	-2.0	-132.75	338.37	7.90	-124.85
CCCC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661447	0	52	-2.0	-131.04	417.50	12.77	-118.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CC=C3)N=C1)C2	REAL300005661448	0	43	-2.0	-129.85	349.90	9.57	-120.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(CC(F)(F)F)=C1)C2	REAL300005661449	0	43	-2.0	-131.16	371.22	10.73	-120.43
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1N1CCOCC1	REAL300005661450	0	50	-2.0	-129.81	386.96	7.95	-121.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CCC3)N=N1)C2	REAL300005661451	0	40	-2.0	-135.09	326.95	6.57	-128.52
CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1(F)Cl	REAL300005661452	0	37	-2.0	-131.80	320.09	8.44	-123.36
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661453	0	46	-2.0	-126.03	363.22	9.55	-116.48
NS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661454	0	39	-2.0	-133.49	336.64	2.67	-130.82
NS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661455	0	36	-2.0	-134.47	324.67	1.19	-133.28
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C	REAL300005661456	0	38	-2.0	-132.98	312.83	4.46	-128.52
CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005661457	0	46	-2.0	-128.47	336.87	9.42	-119.05
CC1=CC=CC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N2C)=C1	REAL300005661458	0	48	-2.0	-132.61	378.36	11.18	-121.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CC=CC=C3C1)C2	REAL300005661459	0	44	-2.0	-129.80	351.09	10.02	-119.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCCC1=CC=CC(F)=C1)C2	REAL300005661460	0	44	-2.0	-132.33	372.60	10.21	-122.12
CC(COCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661461	0	47	-2.0	-131.55	383.00	10.67	-120.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C2	REAL300005661462	0	41	-2.0	-127.66	333.90	9.15	-118.51
COCCN1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661463	0	41	-2.0	-136.62	342.82	6.10	-130.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=C(O)C=CC=C31)C2	REAL300005661464	0	45	-2.0	-137.61	358.25	7.58	-130.03
CCC1CCCCC1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661465	0	50	-2.0	-131.17	386.76	10.16	-121.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1CCCCCC1)C2	REAL300005661466	0	47	-2.0	-129.57	358.47	10.22	-119.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCS(=O)(=O)N1)C2	REAL300005661467	0	36	-2.0	-142.29	307.54	1.44	-140.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2	REAL300005661468	0	42	-2.0	-128.90	320.93	8.98	-119.92
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005661469	0	50	-2.0	-135.78	394.69	10.98	-124.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=C(Cl)C=C3)C=C1)C2	REAL300005661470	0	41	-2.0	-137.50	360.31	10.08	-127.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=CC(Cl)=C3)N=N1)C2	REAL300005661471	0	40	-2.0	-133.48	356.35	8.59	-124.89
CC1=NN(C(C)(C)C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661472	0	46	-2.0	-129.60	361.16	8.13	-121.47
COCCOC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661473	0	48	-2.0	-133.38	395.20	8.44	-124.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(N3C=NN=N3)CCCCC1)C2	REAL300005661474	0	45	-2.0	-131.40	345.67	8.15	-123.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3Cl)CCC1)C2	REAL300005661475	0	44	-2.0	-138.64	361.29	10.31	-128.33
CC1(C)COC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C21	REAL300005661476	0	45	-2.0	-142.84	359.43	8.86	-133.98
CN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005661477	0	42	-2.0	-129.74	340.16	7.28	-122.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1OCCCO3)C2	REAL300005661478	0	43	-2.0	-131.92	345.49	8.64	-123.28
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=CN=C1	REAL300005661479	0	40	-2.0	-127.72	327.77	8.88	-118.84
CC1=NN=NN1C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661480	0	42	-2.0	-127.33	349.81	7.72	-119.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=C3CCCCC3=C1)C2	REAL300005661481	0	53	-2.0	-131.81	415.82	13.03	-118.78
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005661482	0	42	-2.0	-134.30	339.21	8.82	-125.48
CSC1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661483	0	37	-2.0	-138.92	313.94	7.90	-131.02
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661484	0	50	-2.0	-131.06	408.82	10.10	-120.96
CCN1C=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661485	0	40	-2.0	-132.84	337.02	7.51	-125.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C3OC(F)(F)OC3=C1)C2	REAL300005661486	0	43	-2.0	-128.86	371.22	8.85	-120.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CC3(F)F)CC1)C2	REAL300005661487	0	44	-2.0	-133.70	346.72	9.41	-124.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)F)C=C1F)C2	REAL300005661488	0	37	-2.0	-133.88	322.48	8.80	-125.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1OCC3=CC(Cl)=CC=C31)C2	REAL300005661489	0	42	-2.0	-132.62	361.43	9.43	-123.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC(F)(F)F)O1)C2	REAL300005661490	0	38	-2.0	-127.38	339.90	7.93	-119.45
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661491	0	44	-2.0	-133.33	369.64	11.19	-122.14
CC1=NN(C(C)C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661492	0	43	-2.0	-129.32	341.47	7.50	-121.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=C(Cl)C=CC=C1Cl)C2	REAL300005661493	0	40	-2.0	-127.90	362.95	10.53	-117.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)F)N=C1)C2	REAL300005661494	0	36	-2.0	-128.59	311.13	6.80	-121.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3OCCOC3=CS1)C2	REAL300005661495	0	37	-2.0	-134.67	316.63	6.36	-128.31
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661496	0	47	-2.0	-133.08	390.05	11.91	-121.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=C(F)C=CC=C1F)C2	REAL300005661497	0	43	-2.0	-129.67	366.97	10.53	-119.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC=C1C(F)(F)F)C2	REAL300005661498	0	36	-2.0	-137.11	314.10	6.58	-130.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCC1N1C=CC=N1)C2	REAL300005661499	0	47	-2.0	-129.05	359.69	9.88	-119.17
CC(C)C1CCC(C)CC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661500	0	52	-2.0	-134.45	359.91	10.91	-123.54
CC1=CN(C)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661501	0	37	-2.0	-137.55	306.56	6.86	-130.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN3CCCCC3=N1)C2	REAL300005661502	0	44	-2.0	-137.20	357.18	9.05	-128.15
CC(=CC1=CC=NC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661503	0	40	-2.0	-129.56	322.90	7.86	-121.70
CC(=CC1=CC=CC=N1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661504	0	40	-2.0	-131.04	334.31	9.15	-121.89
CC(=CC1=CC=CN=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661505	0	40	-2.0	-132.30	320.61	7.74	-124.56
CC(=CC1=CC=CO1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661506	0	38	-2.0	-131.23	320.14	8.23	-123.00
CC(C)(C)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661507	0	46	-2.0	-130.96	355.48	10.07	-120.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3CC3)=C1)C2	REAL300005661508	0	41	-2.0	-131.63	328.54	9.86	-121.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3OCCOC3=N1)C2	REAL300005661509	0	39	-2.0	-141.08	322.31	5.14	-135.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=C(F)C=C1)C2	REAL300005661510	0	43	-2.0	-130.93	359.52	10.60	-120.33
CS(=O)(=O)N1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661511	0	48	-2.0	-135.75	384.45	5.67	-130.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1OCC3=CC=CC=C31)C2	REAL300005661512	0	42	-2.0	-134.49	344.61	9.08	-125.41
COC1=CC=C2CCCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005661513	0	48	-2.0	-140.48	378.02	9.65	-130.83
COC1=CN2N=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C=C1	REAL300005661514	0	41	-2.0	-135.85	334.99	6.76	-129.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCCCCC1)C2	REAL300005661515	0	49	-2.0	-125.36	366.80	10.27	-115.09
CC1(C)CC2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2O1	REAL300005661516	0	45	-2.0	-144.19	360.13	9.14	-135.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCS1(=O)=O)C2	REAL300005661517	0	37	-2.0	-137.11	313.16	3.65	-133.46
CN(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005661518	0	41	-2.0	-124.64	347.42	6.99	-117.65
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661519	0	47	-2.0	-140.34	387.65	9.88	-130.46
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(=O)C2=CC=CC=C12	REAL300005661520	0	43	-2.0	-138.25	356.51	7.57	-130.68
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005661521	0	40	-2.0	-128.16	341.22	9.86	-118.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC1C1CCCC1)C2	REAL300005661522	0	44	-2.0	-129.68	346.55	9.96	-119.72
COC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(F)(F)F	REAL300005661523	0	37	-2.0	-126.11	318.20	6.85	-119.26
CSCC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661524	0	41	-2.0	-129.03	342.78	9.08	-119.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1C3CC4CC(C3)CC1C4)C2	REAL300005661525	0	51	-2.0	-136.19	367.49	10.30	-125.89
C[C@H]1CC[C@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661526	0	43	-2.0	-126.30	331.05	8.97	-117.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CN=CC=C3C=C1)C2	REAL300005661527	0	39	-2.0	-129.37	324.64	8.37	-121.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CC=N3)N=C1)C2	REAL300005661528	0	42	-2.0	-132.29	347.40	8.08	-124.21
CC(C)CN1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661529	0	43	-2.0	-129.46	335.91	7.68	-121.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1CCCC1)C2	REAL300005661530	0	41	-2.0	-129.73	328.78	9.18	-120.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(CCC3)C1)C2	REAL300005661531	0	41	-2.0	-130.45	324.56	9.03	-121.42
COC1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661532	0	37	-2.0	-135.61	307.60	6.20	-129.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=C(F)C=C3)N=C1)C2	REAL300005661533	0	41	-2.0	-131.37	345.56	8.99	-122.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(SC(F)(F)F)=C1)C2	REAL300005661534	0	38	-2.0	-127.08	335.70	9.23	-117.85
CC(C)(C)N1N=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661535	0	41	-2.0	-135.12	338.42	6.05	-129.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC13CCCCC1C3(F)F)C2	REAL300005661536	0	44	-2.0	-126.39	347.49	9.63	-116.76
CC1=CC(Br)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661537	0	40	-2.0	-134.26	339.80	9.63	-124.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2	REAL300005661538	0	50	-2.0	-133.94	380.72	10.96	-122.98
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661539	0	48	-2.0	-131.85	387.79	10.39	-121.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=NN1C1=CC=CC=C1)C2	REAL300005661540	0	40	-2.0	-131.96	330.67	7.47	-124.49
CC(C)(CC(F)(F)F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661541	0	39	-2.0	-124.96	308.93	7.31	-117.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COCC1C1=CC=CC=C1)C2	REAL300005661542	0	45	-2.0	-127.69	353.15	8.41	-119.28
CN1N=CC(C2CC2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661543	0	41	-2.0	-126.75	342.67	8.01	-118.74
CC1(C)OCC2CC21C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661544	0	42	-2.0	-134.56	323.34	6.75	-127.81
CN1C=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005661545	0	37	-2.0	-140.07	320.07	5.98	-134.09
COC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005661546	0	44	-2.0	-127.24	334.89	7.18	-120.06
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)(C)C	REAL300005661547	0	43	-2.0	-130.76	333.40	8.88	-121.88
CC1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005661548	0	52	-2.0	-133.05	380.63	10.23	-122.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=C(C3CC3)C=N1)C2	REAL300005661549	0	41	-2.0	-128.44	344.96	8.42	-120.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1COCC3)C2	REAL300005661550	0	42	-2.0	-129.53	334.77	7.89	-121.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(CC3(F)F)C1)C2	REAL300005661551	0	38	-2.0	-132.81	325.89	8.38	-124.43
CC1=CC(F)=CC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661552	0	40	-2.0	-128.93	334.73	9.22	-119.71
CSC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661553	0	37	-2.0	-134.24	296.56	6.87	-127.37
CN1N=CC(C2CCC2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661554	0	44	-2.0	-135.83	360.16	8.02	-127.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(N3C=NN=N3)CC1)C2	REAL300005661555	0	36	-2.0	-126.84	311.36	5.66	-121.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CNC3=NC=N1)C2	REAL300005661556	0	36	-2.0	-136.38	303.28	7.78	-128.60
CCCCCC1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661557	0	46	-2.0	-125.40	369.57	8.39	-117.01
CCCCCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005661557	1	46	-2.0	-135.76	371.99	8.42	-127.34
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1CCOCC1	REAL300005661558	0	52	-2.0	-136.58	388.50	9.09	-127.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C(Cl)=CC=CN3N=C1)C2	REAL300005661559	0	37	-2.0	-140.89	315.64	8.02	-132.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3=NOC=C3)OC=N1)C2	REAL300005661560	0	36	-2.0	-145.20	310.59	5.00	-140.20
CC(C)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661561	0	43	-2.0	-136.41	339.53	9.72	-126.69
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661562	0	42	-2.0	-133.25	356.87	7.88	-125.37
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CO1	REAL300005661563	0	38	-2.0	-130.64	318.86	8.27	-122.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC(Cl)=CC=C3S1)C2	REAL300005661564	0	37	-2.0	-129.89	336.15	9.74	-120.15
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661565	0	45	-2.0	-128.51	370.77	9.28	-119.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(=O)C3=CC=CO3)=CC=C1)C2	REAL300005661566	0	43	-2.0	-131.06	358.70	9.39	-121.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(C3CCCCC3)C=C1)C2	REAL300005661567	0	53	-2.0	-131.16	412.06	12.76	-118.40
COCC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661568	0	40	-2.0	-129.94	329.39	5.73	-124.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)(F)F)CCCCC1)C2	REAL300005661569	0	43	-2.0	-125.00	330.53	8.42	-116.58
CCCCC(C)(F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661570	0	42	-2.0	-125.19	328.70	8.45	-116.74
COC1=CC=CC=C1C(F)(F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661571	0	41	-2.0	-136.11	348.01	8.02	-128.09
CC1=NNC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005661572	0	40	-2.0	-130.42	326.69	6.97	-123.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3=CC=CN=C3)=N1)C2	REAL300005661573	0	39	-2.0	-137.71	337.26	5.54	-132.17
COCCCN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC1=O	REAL300005661574	0	46	-2.0	-127.15	381.13	6.24	-120.91
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005661575	0	48	-2.0	-129.96	383.80	9.26	-120.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3CC31)C2	REAL300005661576	0	41	-2.0	-130.56	322.56	8.82	-121.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CF)C=C1)C2	REAL300005661577	0	37	-2.0	-133.70	310.49	8.53	-125.17
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005661578	0	41	-2.0	-124.98	346.33	8.14	-116.84
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOC1	REAL300005661579	0	42	-2.0	-128.85	335.13	5.92	-122.93
CC(C)(C)N1N=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661580	0	44	-2.0	-140.99	367.07	6.13	-134.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3COCCC3=C1)C2	REAL300005661581	0	42	-2.0	-131.76	333.18	7.85	-123.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CC1(F)F)C2	REAL300005661582	0	37	-2.0	-131.77	316.31	8.46	-123.31
COCCCOCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661583	0	44	-2.0	-129.21	360.90	5.87	-123.34
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC=C1	REAL300005661584	0	37	-2.0	-136.88	315.02	7.32	-129.56
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=CC=N1	REAL300005661585	0	40	-2.0	-131.57	317.89	6.85	-124.72
COC1=CC=C(OC(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661586	0	48	-2.0	-131.57	366.24	8.41	-123.16
CC(C)CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005661587	0	49	-2.0	-128.52	393.14	11.47	-117.05
COC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005661588	0	41	-2.0	-138.28	357.22	8.51	-129.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(N3C=NN=N3)CCOCC1)C2	REAL300005661589	0	43	-2.0	-129.27	337.86	5.47	-123.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3C=CC=NC3=N1)C2	REAL300005661590	0	35	-2.0	-145.01	303.24	8.73	-136.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CSC3=NC=N1)C2	REAL300005661591	0	35	-2.0	-130.43	307.40	7.97	-122.46
CC(C)(OC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661592	0	44	-2.0	-130.37	339.68	8.44	-121.93
CC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661593	0	47	-2.0	-134.29	361.87	10.30	-123.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=CC4=C3C=CC=C4)O1)C2	REAL300005661594	0	43	-2.0	-134.23	360.00	10.91	-123.32
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661595	0	40	-2.0	-140.55	346.80	4.42	-136.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CSC=C3S1)C2	REAL300005661596	0	34	-2.0	-135.57	308.71	8.24	-127.33
CC1=CC=CC=C1CC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661597	0	46	-2.0	-129.35	364.73	10.61	-118.74
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC(C(F)F)=C1	REAL300005661598	0	37	-2.0	-127.25	319.70	8.03	-119.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC4=C(Cl)C=CC=C4C31)C2	REAL300005661599	0	42	-2.0	-133.35	352.39	11.15	-122.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CC3)C=C1)C2	REAL300005661600	0	41	-2.0	-134.51	332.30	9.48	-125.03
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005661601	0	44	-2.0	-136.25	339.67	8.21	-128.04
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661602	0	44	-2.0	-128.00	359.09	10.50	-117.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3=CC=CC=C3CO1)C2	REAL300005661603	0	42	-2.0	-131.22	341.42	9.13	-122.09
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCCC1	REAL300005661604	0	47	-2.0	-132.30	361.77	8.70	-123.60
CC(CC1=CC=CO1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661605	0	40	-2.0	-128.55	328.15	8.19	-120.36
CC1CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C2O1	REAL300005661606	0	42	-2.0	-129.08	335.36	8.31	-120.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(C1)CCCCC3)C2	REAL300005661607	0	47	-2.0	-129.35	356.29	10.15	-119.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=CC3=CC=CC=C31)C2	REAL300005661608	0	40	-2.0	-136.41	342.66	10.59	-125.82
COCC1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661609	0	38	-2.0	-126.66	331.76	6.19	-120.47
CC[C@@H]1CCO[C@@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661610	0	41	-2.0	-132.37	318.30	8.23	-124.14
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCO1	REAL300005661611	0	44	-2.0	-126.58	343.41	7.57	-119.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C2	REAL300005661612	0	41	-2.0	-134.55	368.77	11.14	-123.41
CC1=CC=C2OC=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005661613	0	43	-2.0	-136.18	363.02	9.57	-126.61
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005661614	0	41	-2.0	-130.43	341.05	8.75	-121.68
CCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005661615	0	46	-2.0	-132.78	379.39	11.19	-121.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3=C(Cl)C=CC=C31)C2	REAL300005661616	0	38	-2.0	-132.57	332.49	9.99	-122.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CSN=N3)C=C1)C2	REAL300005661617	0	39	-2.0	-138.19	339.23	7.78	-130.41
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CO1	REAL300005661618	0	40	-2.0	-128.88	329.04	8.44	-120.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CC=CC=C3CC1)C2	REAL300005661619	0	47	-2.0	-132.69	364.15	10.76	-121.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(C1CCC1)C1CCC1)C2	REAL300005661620	0	50	-2.0	-134.33	375.15	11.00	-123.33
CC1=CC=C(COC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661621	0	47	-2.0	-132.05	381.25	10.53	-121.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3CC3(F)F)C=C1)C2	REAL300005661622	0	42	-2.0	-134.80	356.53	8.90	-125.90
CCCC(OCC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661623	0	43	-2.0	-130.54	337.53	8.20	-122.34
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Br	REAL300005661624	0	38	-2.0	-126.23	329.21	7.71	-118.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC4=CC=CC=C4C31)C2	REAL300005661625	0	42	-2.0	-131.41	336.21	10.66	-120.75
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300005661626	0	41	-2.0	-126.51	345.27	8.29	-118.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COC3=CC(F)=CC=C3C1)C2	REAL300005661627	0	42	-2.0	-124.66	348.92	8.29	-116.37
CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CC1	REAL300005661628	0	41	-2.0	-127.67	332.08	8.32	-119.35
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(S(C)(=O)=O)O1	REAL300005661629	0	40	-2.0	-134.40	346.28	4.30	-130.10
CC1=CC=CC=C1COC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661630	0	47	-2.0	-132.64	375.80	10.52	-122.12
CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005661631	0	46	-2.0	-124.91	341.71	8.91	-116.00
CN1N=CC(C(F)(F)F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661632	0	37	-2.0	-122.14	330.59	6.83	-115.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C2	REAL300005661633	0	46	-2.0	-128.43	355.42	8.59	-119.84
CC1=CCC(C)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661634	0	44	-2.0	-134.26	330.92	8.93	-125.33
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661635	0	44	-2.0	-128.66	351.14	7.82	-120.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C(F)(F)F)=C1)C2	REAL300005661636	0	34	-2.0	-129.16	311.07	7.93	-121.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@@H](C3=CC=CC=C3)C1)C2	REAL300005661637	0	47	-2.0	-133.35	371.62	11.23	-122.12
COCCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661638	0	44	-2.0	-136.88	359.89	6.22	-130.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CC3)N=C1)C2	REAL300005661639	0	38	-2.0	-132.56	313.97	7.10	-125.46
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1CCOCC1	REAL300005661640	0	48	-2.0	-143.53	383.13	7.67	-135.86
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661641	0	44	-2.0	-137.09	364.76	9.21	-127.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3)CCCCCC1)C2	REAL300005661642	0	53	-2.0	-137.89	373.28	11.40	-126.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)(F)F)SC=C1)C2	REAL300005661643	0	34	-2.0	-129.93	307.77	7.91	-122.02
CC1=NN(C2CCOCC2)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661644	0	48	-2.0	-125.23	376.78	7.27	-117.96
CCOC1=CC=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661645	0	45	-2.0	-132.12	370.69	9.63	-122.49
COC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661646	0	42	-2.0	-131.80	348.77	8.72	-123.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCCCN3C=C1)C2	REAL300005661647	0	42	-2.0	-138.10	328.11	9.12	-128.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3C(C1)C3(F)F)C2	REAL300005661648	0	41	-2.0	-134.79	328.48	8.57	-126.22
CC(F)(F)C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661649	0	37	-2.0	-128.83	306.81	7.56	-121.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)(F)F)CCOCC1)C2	REAL300005661650	0	41	-2.0	-124.54	318.11	6.15	-118.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CC3)N=N1)C2	REAL300005661651	0	37	-2.0	-135.37	312.97	6.24	-129.13
CS(=O)(=O)N1CCC[C@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661652	0	45	-2.0	-138.25	365.53	4.81	-133.44
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005661653	0	45	-2.0	-134.93	378.72	8.43	-126.50
CC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Br	REAL300005661654	0	40	-2.0	-132.83	350.11	9.63	-123.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC(F)F)C2	REAL300005661655	0	34	-2.0	-136.49	297.79	6.62	-129.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC3=C1COCC3)C2	REAL300005661656	0	38	-2.0	-131.94	314.08	5.99	-125.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC(F)=CC(F)=C3)CCCC1)C2	REAL300005661657	0	47	-2.0	-134.51	371.88	10.82	-123.69
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661658	0	41	-2.0	-142.75	365.14	5.20	-137.55
CCCC1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661659	0	46	-2.0	-130.68	349.53	9.71	-120.97
CC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005661660	0	51	-2.0	-140.59	419.66	12.52	-128.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)SC=C1)C2	REAL300005661661	0	31	-2.0	-129.40	283.06	7.29	-122.11
CC1=NC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661662	0	35	-2.0	-131.58	290.20	5.69	-125.89
CSC1=CC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661663	0	38	-2.0	-129.35	327.76	8.12	-121.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CSC3=CN=C1)C2	REAL300005661664	0	36	-2.0	-133.71	312.78	7.33	-126.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC=N1)C2	REAL300005661665	0	33	-2.0	-140.61	297.18	5.71	-134.90
CCOC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005661666	0	45	-2.0	-126.92	336.27	5.72	-121.20
CC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=C1	REAL300005661667	0	43	-2.0	-128.17	356.26	10.21	-117.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CCCCCCC31)C2	REAL300005661668	0	47	-2.0	-135.43	348.78	10.17	-125.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NN=NN3C=C1)C2	REAL300005661669	0	35	-2.0	-132.48	306.76	6.23	-126.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(C3CC3)CC1)C2	REAL300005661670	0	47	-2.0	-131.79	355.46	10.33	-121.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3SC=CC3=NC=N1)C2	REAL300005661671	0	35	-2.0	-131.64	308.86	8.00	-123.64
CCCCCCCCC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661672	0	54	-2.0	-125.64	416.51	11.76	-113.88
CN1N=CC(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661673	0	34	-2.0	-124.28	306.65	6.33	-117.95
CC1=CC(F)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(F)=C1	REAL300005661674	0	37	-2.0	-133.36	326.89	8.83	-124.53
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1OC(C)C	REAL300005661675	0	48	-2.0	-138.19	383.60	9.49	-128.70
COCC(OC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661676	0	38	-2.0	-124.08	311.51	5.06	-119.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CS1)C2	REAL300005661677	0	35	-2.0	-129.62	312.65	8.45	-121.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3(CC3)C1)C2	REAL300005661678	0	44	-2.0	-128.97	342.92	9.65	-119.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C2	REAL300005661679	0	44	-2.0	-135.11	367.68	8.20	-126.91
COC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661680	0	41	-2.0	-129.93	333.02	7.56	-122.37
CN1C=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005661681	0	39	-2.0	-134.11	328.39	6.22	-127.89
CCOCCOCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661682	0	47	-2.0	-133.37	382.71	7.01	-126.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC1CC1=CC=CC=C1)C2	REAL300005661683	0	50	-2.0	-133.11	386.05	11.81	-121.30
CCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005661684	0	46	-2.0	-128.19	382.86	11.32	-116.87
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661685	0	51	-2.0	-131.14	406.87	7.97	-123.17
COC1=CC=CC(C(OC)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661686	0	45	-2.0	-130.96	363.07	7.97	-122.99
COCCOCCOCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661687	0	51	-2.0	-134.97	416.33	6.37	-128.60
COC1=CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1OC	REAL300005661688	0	48	-2.0	-131.98	388.13	9.38	-122.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1(N3C=NN=N3)CCOCC1)C2	REAL300005661689	0	46	-2.0	-143.23	359.21	6.98	-136.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C2	REAL300005661690	0	43	-2.0	-159.62	354.31	8.18	-151.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CN1C=CN=N1)C2	REAL300005661691	0	43	-2.0	-159.62	354.31	8.18	-151.44
CCCN1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661692	0	40	-2.0	-129.01	323.13	7.16	-121.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NC3=CC=CN=C3)C=C1)C2	REAL300005661693	0	45	-2.0	-137.16	368.73	7.90	-129.26
CC(C)(C)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661694	0	50	-2.0	-131.39	395.45	11.73	-119.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CC3)CC1)C2	REAL300005661695	0	44	-2.0	-132.14	341.66	9.09	-123.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CC(F)=CC=C31)C2	REAL300005661696	0	41	-2.0	-133.56	343.33	9.84	-123.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005661697	0	47	-2.0	-125.91	376.52	11.13	-114.78
CC1=CC=CC=C1COCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661698	0	44	-2.0	-128.95	364.10	10.00	-118.95
CC1=CC=CC(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661699	0	44	-2.0	-128.70	369.33	9.98	-118.72
CC1=CC=C(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661700	0	44	-2.0	-133.05	366.10	10.04	-123.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C2	REAL300005661701	0	43	-2.0	-131.98	348.56	8.74	-123.24
CC(C)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661702	0	43	-2.0	-130.61	339.51	9.66	-120.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(CN3C=CN=N3)=C1)C2	REAL300005661703	0	43	-2.0	-143.24	357.07	8.17	-135.07
CCOC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661704	0	41	-2.0	-133.55	325.63	7.17	-126.38
CCN1N=CC(Cl)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661705	0	37	-2.0	-130.32	328.84	7.19	-123.13
CCCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C	REAL300005661706	0	48	-2.0	-129.92	358.82	9.59	-120.33
CCOCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661707	0	44	-2.0	-132.15	360.25	6.41	-125.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1CCC1=CC=CC=C1)C2	REAL300005661708	0	47	-2.0	-131.58	383.07	10.18	-121.40
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CS1	REAL300005661709	0	38	-2.0	-130.25	327.73	9.27	-120.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC=C1C(F)(F)F)C2	REAL300005661710	0	34	-2.0	-131.88	303.65	7.86	-124.02
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005661711	0	47	-2.0	-131.19	349.42	7.16	-124.03
CC1(C)CC1(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661712	0	47	-2.0	-133.73	369.33	10.83	-122.90
CC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)(C2=CC=CC(Cl)=C2)C1	REAL300005661713	0	47	-2.0	-134.13	381.12	11.10	-123.03
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(O)=C1	REAL300005661714	0	39	-2.0	-131.51	322.12	5.04	-126.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCC1=CC=C(Cl)C=C1)C2	REAL300005661715	0	46	-2.0	-129.73	391.34	11.84	-117.89
CCC1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661716	0	41	-2.0	-136.51	328.50	7.87	-128.64
COC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005661717	0	44	-2.0	-139.31	344.94	7.89	-131.42
CC1OCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661718	0	41	-2.0	-129.89	314.74	7.67	-122.22
COC1CCCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661719	0	47	-2.0	-129.72	362.50	8.21	-121.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CC(F)(F)C1)C2	REAL300005661720	0	37	-2.0	-130.12	311.24	8.19	-121.93
CC1=C2SC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=CC=C1	REAL300005661721	0	40	-2.0	-135.14	339.74	9.86	-125.28
CCC(C)C(OC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661722	0	43	-2.0	-131.05	331.16	7.74	-123.31
COCCOC1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661723	0	51	-2.0	-139.09	391.67	6.87	-132.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(C3CC3)=C1)C2	REAL300005661724	0	44	-2.0	-127.65	362.67	10.98	-116.67
CC1=C(C)C=C2C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=COC2=C1	REAL300005661725	0	43	-2.0	-132.69	346.28	9.47	-123.22
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCC1	REAL300005661726	0	41	-2.0	-132.32	314.99	7.12	-125.20
CCOC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661727	0	41	-2.0	-129.13	334.54	6.78	-122.35
CC(C)(C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005661728	0	46	-2.0	-132.99	372.44	9.90	-123.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(C1CCC1)C1CCC1)C2	REAL300005661729	0	47	-2.0	-131.62	361.09	10.28	-121.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2	REAL300005661730	0	39	-2.0	-134.63	306.15	5.84	-128.79
CC1CCN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2C1	REAL300005661731	0	44	-2.0	-142.68	349.34	9.32	-133.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C2	REAL300005661732	0	45	-2.0	-127.95	358.43	7.91	-120.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@H](CC3=CC=CC=C3)O1)C2	REAL300005661733	0	48	-2.0	-135.06	383.53	10.90	-124.16
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)(C)C	REAL300005661734	0	48	-2.0	-131.06	346.38	9.20	-121.86
CCC1=CC=C(F)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661735	0	40	-2.0	-133.40	327.96	9.32	-124.08
COCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CS1	REAL300005661736	0	38	-2.0	-136.09	325.63	6.51	-129.58
CN1C=CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C21	REAL300005661737	0	41	-2.0	-134.39	337.32	9.64	-124.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCO3)CCC1)C2	REAL300005661738	0	48	-2.0	-130.26	357.41	8.43	-121.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C([N+](=O)[O-])C=C3)CCC1)C2	REAL300005661739	0	46	-2.0	-131.73	376.94	10.63	-121.10
COC1=CC=C(F)C(OC)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661740	0	42	-2.0	-140.38	357.42	6.94	-133.44
CNC1=NC(C)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661741	0	40	-2.0	-131.26	332.71	7.83	-123.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3=CC=CC=N3)N=N1)C2	REAL300005661742	0	42	-2.0	-139.14	359.53	6.74	-132.40
COC1=CC2=C(C=C1C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)OCO2	REAL300005661743	0	41	-2.0	-136.20	337.24	6.43	-129.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(Cl)S1)C2	REAL300005661744	0	35	-2.0	-130.52	326.48	9.11	-121.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1OC(F)(F)F)C2	REAL300005661745	0	42	-2.0	-132.48	364.20	9.28	-123.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3CCOCC3)C=C1)C2	REAL300005661746	0	45	-2.0	-135.54	360.27	7.02	-128.52
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C2=CC=CC=C2)O1	REAL300005661747	0	44	-2.0	-131.75	359.93	10.45	-121.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC(F)(F)CC1)C2	REAL300005661748	0	43	-2.0	-130.50	341.18	9.35	-121.15
CC1=CN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1C(F)(F)F	REAL300005661749	0	40	-2.0	-128.54	355.27	7.89	-120.65
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661750	0	44	-2.0	-127.95	362.68	10.65	-117.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)F)N=CO1)C2	REAL300005661751	0	33	-2.0	-130.11	289.04	3.85	-126.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)F)O1)C2	REAL300005661752	0	34	-2.0	-125.02	302.86	7.32	-117.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300005661753	0	48	-2.0	-132.85	393.53	12.82	-120.03
CC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005661754	0	41	-2.0	-132.83	339.76	8.93	-123.90
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1CCCOC1	REAL300005661755	0	52	-2.0	-135.95	388.47	9.12	-126.83
CC1=NOC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCOCC2)=C1	REAL300005661756	0	47	-2.0	-130.53	366.49	6.70	-123.83
CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C	REAL300005661757	0	43	-2.0	-131.03	334.79	8.05	-122.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(F)=C1OC(F)(F)F)C2	REAL300005661758	0	38	-2.0	-129.84	337.89	8.42	-121.42
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(C2CCOC2)=N1	REAL300005661759	0	44	-2.0	-124.40	366.44	6.07	-118.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300005661760	0	37	-2.0	-124.61	346.92	9.90	-114.71
CC1=CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2C=C1	REAL300005661761	0	40	-2.0	-143.42	332.98	9.68	-133.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1CC1CCC1)C2	REAL300005661762	0	44	-2.0	-128.05	350.50	8.48	-119.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC(Cl)=CC3=CC=CC=C31)C2	REAL300005661763	0	43	-2.0	-136.25	373.07	11.18	-125.07
COC1=CC=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=C1	REAL300005661764	0	41	-2.0	-136.21	349.00	8.52	-127.69
COC1=CC=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=COC2=C1C	REAL300005661765	0	47	-2.0	-136.28	391.01	8.95	-127.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(F)C3=CC=CC=C13)C2	REAL300005661766	0	44	-2.0	-131.41	368.15	11.61	-119.80
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661767	0	48	-2.0	-131.41	389.71	11.32	-120.09
CC1=CC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661768	0	37	-2.0	-130.35	310.25	8.41	-121.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CC1CCCC3)C2	REAL300005661769	0	41	-2.0	-132.87	310.01	8.55	-124.32
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300005661770	0	56	-2.0	-130.81	422.47	12.56	-118.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3)CC3(CCC3)C1)C2	REAL300005661771	0	51	-2.0	-133.67	395.71	11.94	-121.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)F)CCC1)C2	REAL300005661772	0	37	-2.0	-127.27	300.03	7.06	-120.21
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCCO1	REAL300005661773	0	47	-2.0	-132.99	348.49	8.15	-124.84
CC(=CC1CCC(C)CC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661774	0	50	-2.0	-129.99	366.78	10.40	-119.59
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005661775	0	40	-2.0	-137.71	335.36	8.29	-129.42
CC1OC(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1C	REAL300005661776	0	44	-2.0	-127.52	331.54	6.99	-120.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@]13CCC[C@H]1OCC3)C2	REAL300005661777	0	42	-2.0	-133.60	323.09	6.53	-127.07
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661778	0	52	-2.0	-135.48	373.41	10.95	-124.53
CC1=CC=CC=C1C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005661779	0	50	-2.0	-136.05	368.76	10.80	-125.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC1C1=CC=C(F)C=C1)C2	REAL300005661780	0	44	-2.0	-129.74	355.05	10.20	-119.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C(F)F)=C1)C2	REAL300005661781	0	34	-2.0	-128.61	298.10	6.97	-121.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(C3CC3)C1)C2	REAL300005661782	0	41	-2.0	-132.26	329.33	9.40	-122.86
CSCCCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661783	0	46	-2.0	-130.34	380.93	10.32	-120.02
CCC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005661784	0	46	-2.0	-133.26	376.85	10.79	-122.47
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CN=CC=N1	REAL300005661785	0	46	-2.0	-138.36	371.40	8.88	-129.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CSC=C1)C2	REAL300005661786	0	38	-2.0	-130.62	328.01	9.22	-121.40
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005661787	0	40	-2.0	-131.53	333.80	9.27	-122.26
CCOC1=CC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661788	0	47	-2.0	-132.49	382.97	9.97	-122.52
CC1C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1C1CC1	REAL300005661789	0	41	-2.0	-133.80	336.52	9.14	-124.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC13CC3)C2	REAL300005661790	0	41	-2.0	-132.44	326.08	8.61	-123.83
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)COC2=CC=CC=C2O1	REAL300005661791	0	43	-2.0	-131.21	342.87	7.94	-123.27
CC1=CN2C=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2S1	REAL300005661792	0	40	-2.0	-150.67	352.16	9.18	-141.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CC3=CC=CC=C3O1)C2	REAL300005661793	0	42	-2.0	-137.89	343.82	9.32	-128.57
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2CCC1C2	REAL300005661794	0	44	-2.0	-134.85	319.62	8.68	-126.17
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005661795	0	43	-2.0	-129.17	324.14	8.43	-120.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CSC(C(F)(F)F)=C1)C2	REAL300005661796	0	38	-2.0	-129.69	349.85	9.55	-120.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C2	REAL300005661797	0	43	-2.0	-133.19	336.52	9.02	-124.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C2	REAL300005661798	0	41	-2.0	-137.36	357.43	10.54	-126.82
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=CC(C(F)(F)F)=N1	REAL300005661799	0	40	-2.0	-139.49	349.00	7.08	-132.41
CC1=CC(C)=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005661800	0	47	-2.0	-132.14	375.25	11.14	-121.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1C(F)(F)F)C2	REAL300005661801	0	41	-2.0	-133.67	352.88	10.23	-123.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C3NC=CC3=C1)C2	REAL300005661802	0	42	-2.0	-135.14	350.67	9.46	-125.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CCCC3)N=C1)C2	REAL300005661803	0	47	-2.0	-134.74	369.86	9.06	-125.68
COCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005661804	0	41	-2.0	-132.13	338.39	5.44	-126.69
CC1=CC=CC(COC(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661805	0	47	-2.0	-132.77	381.03	10.50	-122.27
CC1(C)[C@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)[C@H]1C1=CC=CC=C1	REAL300005661806	0	47	-2.0	-129.40	370.04	11.28	-118.12
COC1=CC(C)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661807	0	44	-2.0	-135.86	350.29	8.51	-127.35
COCCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661808	0	44	-2.0	-132.66	355.01	5.94	-126.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1(C3=CC=CC=C3)CC1)C2	REAL300005661809	0	44	-2.0	-131.61	358.08	10.84	-120.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=COC3=CC(Cl)=CC=C13)C2	REAL300005661810	0	40	-2.0	-131.69	358.74	9.62	-122.07
CCC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=CC=C1	REAL300005661811	0	44	-2.0	-130.15	358.25	9.70	-120.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(F)C3=C1CCCC3)C2	REAL300005661812	0	50	-2.0	-128.42	393.19	12.03	-116.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C2	REAL300005661813	0	39	-2.0	-130.40	320.30	6.11	-124.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(F)C3=CC=CC=C13)C2	REAL300005661814	0	46	-2.0	-129.99	379.65	11.89	-118.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC4=CC(Cl)=CC=C4C31)C2	REAL300005661815	0	42	-2.0	-128.43	360.56	11.29	-117.14
CC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)O1	REAL300005661816	0	41	-2.0	-135.76	320.14	6.67	-129.09
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CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005661846	0	42	-2.0	-132.83	324.11	7.78	-125.05
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CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOC1	REAL300005661851	0	45	-2.0	-130.89	356.04	6.60	-124.29
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CC(C)(C)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661854	0	49	-2.0	-134.29	379.60	10.40	-123.89
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CCOC1CC2(CC2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661857	0	45	-2.0	-133.55	359.36	8.53	-125.02
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CCOCCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661862	0	46	-2.0	-131.03	370.22	8.34	-122.69
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CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005661864	0	44	-2.0	-131.01	355.32	8.62	-122.39
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CCN1CCOCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661867	0	43	-2.0	-133.61	329.79	3.91	-129.70
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005661868	0	43	-2.0	-134.05	349.10	8.98	-125.07
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CCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=N1	REAL300005661873	0	45	-2.0	-133.17	363.40	8.48	-124.69
CN1N=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CN=C21	REAL300005661874	0	38	-2.0	-146.05	321.09	5.50	-140.55
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CC1=NC=C2CCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CN12	REAL300005661877	0	44	-2.0	-131.78	348.94	8.18	-123.60
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661879	0	48	-2.0	-130.87	373.76	10.06	-120.81
CC(CC1=CNC=N1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661880	0	40	-2.0	-133.48	328.43	7.63	-125.85
CC(CC1=CN=CN1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661880	1	40	-2.0	-130.94	327.87	7.69	-123.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3CCCN13)C2	REAL300005661881	0	38	-2.0	-137.29	306.63	7.29	-130.00
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CC(CCC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661883	0	46	-2.0	-125.93	375.52	10.96	-114.97
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005661884	0	46	-2.0	-125.25	365.24	10.51	-114.74
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CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOCC1	REAL300005661887	0	48	-2.0	-132.37	367.45	7.50	-124.87
CCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005661888	0	47	-2.0	-133.50	366.10	9.54	-123.96
CC1CC1C1CC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661889	0	41	-2.0	-128.55	339.06	9.40	-119.15
CC1(C)CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2O1	REAL300005661890	0	45	-2.0	-135.79	356.82	8.98	-126.81
CCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661891	0	40	-2.0	-134.37	321.34	6.89	-127.48
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CC1=CC2=C(S1)C(CC(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=CS2	REAL300005661895	0	40	-2.0	-134.08	362.48	9.78	-124.30
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CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CN1C	REAL300005661898	0	38	-2.0	-138.29	303.95	7.93	-130.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CC3)O1)C2	REAL300005661899	0	37	-2.0	-129.20	312.11	5.17	-124.03
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CC1=NC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005661902	0	36	-2.0	-137.33	311.11	4.15	-133.18
CCC1CCCC1(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661903	0	46	-2.0	-130.40	333.60	9.31	-121.09
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CC1=CC(C)=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005661905	0	40	-2.0	-135.75	344.98	9.04	-126.71
CCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1CC1	REAL300005661906	0	44	-2.0	-133.89	349.32	8.37	-125.52
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005661907	0	49	-2.0	-127.69	395.73	11.14	-116.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1F)C2	REAL300005661908	0	38	-2.0	-129.20	328.01	9.42	-119.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C3OCOC3=C1)C2	REAL300005661909	0	41	-2.0	-132.10	345.39	8.09	-124.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(F)C=C1)C2	REAL300005661910	0	38	-2.0	-130.03	325.75	9.48	-120.55
COC1=CC=C(C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NO2)C=C1	REAL300005661911	0	44	-2.0	-135.00	369.39	8.65	-126.35
CCC1=CC=C(C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NO2)C=C1	REAL300005661912	0	46	-2.0	-134.35	382.83	10.81	-123.54
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005661913	0	46	-2.0	-130.90	365.79	10.81	-120.09
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005661914	0	43	-2.0	-136.05	341.42	9.23	-126.82
C=CCCCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005661915	0	50	-2.0	-127.86	397.92	11.89	-115.97
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300005661916	0	45	-2.0	-133.48	346.59	8.73	-124.75
CC1=CC=C(Cl)C=C1OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661917	0	41	-2.0	-130.44	355.93	10.10	-120.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3(CC3)C13CC3)C2	REAL300005661918	0	39	-2.0	-128.52	329.16	9.36	-119.16
CC(C)(C)C12CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(C1)C2	REAL300005661919	0	47	-2.0	-134.12	368.77	10.15	-123.97
CC1=CC(C(F)(F)F)=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005661920	0	38	-2.0	-136.14	338.89	7.52	-128.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)F)C=CS1)C2	REAL300005661921	0	34	-2.0	-135.86	298.32	7.80	-128.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C2	REAL300005661922	0	44	-2.0	-125.81	380.18	11.03	-114.78
CC1(C)CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC1	REAL300005661923	0	47	-2.0	-133.38	359.89	8.93	-124.45
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC(F)F	REAL300005661924	0	42	-2.0	-130.83	327.95	8.56	-122.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCCCS1(=O)=O)C2	REAL300005661925	0	42	-2.0	-141.06	347.76	4.61	-136.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC=CCC1)C2	REAL300005661926	0	41	-2.0	-131.00	317.94	8.60	-122.40
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CNN=C2C=C1	REAL300005661927	0	40	-2.0	-133.39	334.56	7.29	-126.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300005661928	0	38	-2.0	-129.36	334.61	7.88	-121.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCOC3=C(F)C=CC=C31)C2	REAL300005661929	0	42	-2.0	-136.39	347.73	8.42	-127.97
CS(=O)(=O)C1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661930	0	46	-2.0	-136.52	373.31	5.39	-131.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CC(F)=C3)S1)C2	REAL300005661931	0	41	-2.0	-134.63	355.87	10.69	-123.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=C(C(F)F)C=C1C1CC1)C2	REAL300005661932	0	44	-2.0	-142.77	380.36	8.74	-134.03
CCC(CC1=CC=CC(C)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661933	0	49	-2.0	-129.51	380.24	11.15	-118.36
CC(C)(C)OC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661934	0	47	-2.0	-134.69	360.01	8.88	-125.81
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661935	0	42	-2.0	-127.54	350.92	9.65	-117.89
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC(F)(F)C1	REAL300005661936	0	37	-2.0	-123.44	301.84	7.57	-115.87
CC(C)OC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005661937	0	44	-2.0	-133.50	343.33	8.07	-125.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCO3)CCOCC1)C2	REAL300005661938	0	52	-2.0	-132.66	374.04	6.91	-125.75
CC1=CC=C2OCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005661939	0	43	-2.0	-130.72	356.86	9.25	-121.47
COC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005661940	0	46	-2.0	-132.90	377.97	8.63	-124.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(SC(F)F)C=C1)C2	REAL300005661941	0	42	-2.0	-132.35	368.92	10.68	-121.67
COC1=CC=C(OC)C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661942	0	46	-2.0	-136.75	377.15	8.07	-128.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CSC=C1)C2	REAL300005661943	0	35	-2.0	-131.28	309.33	8.37	-122.91
CC1(C)CCC2=C(C1)C(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=NO2	REAL300005661944	0	46	-2.0	-134.08	358.53	9.31	-124.77
CCC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005661945	0	40	-2.0	-125.89	324.93	7.00	-118.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3CCCC3)=N1)C2	REAL300005661946	0	46	-2.0	-139.50	384.18	8.77	-130.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3CC3)=N1)C2	REAL300005661947	0	40	-2.0	-130.46	350.69	7.91	-122.55
CC1CCC(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661948	0	47	-2.0	-132.51	365.44	9.66	-122.85
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005661949	0	37	-2.0	-140.21	331.10	7.97	-132.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CCC3=CC=CC=C31)C2	REAL300005661950	0	47	-2.0	-131.69	376.18	11.21	-120.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C[C@@H]1C[C@H]1C1CC1)C2	REAL300005661951	0	41	-2.0	-129.17	334.44	9.77	-119.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(F)(F)F)=CC=N1)C2	REAL300005661952	0	36	-2.0	-131.40	316.92	7.87	-123.53
CC1(C)COC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661953	0	47	-2.0	-131.97	372.32	7.81	-124.16
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC(F)(F)F	REAL300005661954	0	42	-2.0	-130.00	331.78	8.64	-121.36
COC1=CC=C2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2=C1	REAL300005661955	0	48	-2.0	-131.19	380.90	9.36	-121.83
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661956	0	42	-2.0	-133.18	332.44	6.65	-126.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=CN=C3)C=C1)C2	REAL300005661957	0	44	-2.0	-138.99	365.78	10.97	-128.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCN1C=CN=C1)C2	REAL300005661958	0	37	-2.0	-128.95	312.09	8.51	-120.44
CN1CCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661959	1	42	-2.0	-134.18	325.05	5.76	-128.42
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCN(C)CC1	REAL300005661960	0	47	-2.0	-128.07	350.19	3.87	-124.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCOCC1)C2	REAL300005661961	0	40	-2.0	-130.26	316.76	3.93	-126.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC3(CCC3)CO1)C2	REAL300005661962	0	48	-2.0	-133.82	367.99	9.53	-124.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC3(CCOCC3)CO1)C2	REAL300005661963	0	52	-2.0	-139.05	390.77	7.81	-131.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C2	REAL300005661964	0	42	-2.0	-128.20	332.58	7.18	-121.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CCC(C1)S3)C2	REAL300005661965	0	42	-2.0	-129.05	329.85	8.85	-120.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC=C1C(F)F)C2	REAL300005661966	0	34	-2.0	-128.96	302.95	7.75	-121.21
COC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300005661967	0	51	-2.0	-134.51	411.85	9.73	-124.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1[C@@H](C3=CC=CC=C3)C1(F)F)C2	REAL300005661968	0	41	-2.0	-125.97	350.83	10.33	-115.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC(F)=CC(F)=C3)C=C1)C2	REAL300005661969	0	41	-2.0	-136.91	356.40	9.69	-127.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCC1=CC=CC=C1)C2	REAL300005661970	0	46	-2.0	-130.23	374.60	11.32	-118.91
COC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005661971	0	41	-2.0	-135.17	316.63	6.86	-128.31
CCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005661972	0	36	-2.0	-134.57	308.42	6.90	-127.67
CC1(C)COC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005661973	0	44	-2.0	-134.72	350.31	7.66	-127.06
CC1=C2OC=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=CC=C1Cl	REAL300005661974	0	43	-2.0	-132.56	377.43	10.20	-122.36
CC1=CN2N=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2N=C1	REAL300005661975	0	39	-2.0	-143.67	325.74	7.29	-136.38
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661976	0	44	-2.0	-132.59	368.47	9.14	-123.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC3(CCC3)O1)C2	REAL300005661977	0	45	-2.0	-136.77	353.17	8.87	-127.90
C=C1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005661978	0	41	-2.0	-126.19	322.38	8.55	-117.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCOC3(CCC3)C1)C2	REAL300005661979	0	45	-2.0	-128.83	348.49	7.40	-121.43
COC1=CC2=CC=C(C=CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005661980	0	48	-2.0	-134.37	394.91	10.97	-123.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC=CCCC1)C2	REAL300005661981	0	44	-2.0	-133.32	331.36	9.20	-124.12
CCN1N=C(C2CC2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661982	0	44	-2.0	-126.69	353.06	8.61	-118.08
CN1N=C2CCCC2=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661983	0	41	-2.0	-127.54	337.74	7.65	-119.89
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005661984	0	42	-2.0	-152.45	350.62	10.10	-142.35
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCO1	REAL300005661985	0	41	-2.0	-134.11	320.19	7.83	-126.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC=C3N=C1)C2	REAL300005661986	0	39	-2.0	-129.15	320.65	8.14	-121.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(C1)CC(F)(F)C3)C2	REAL300005661987	0	41	-2.0	-131.84	337.81	9.21	-122.63
CCSC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661988	0	44	-2.0	-137.19	373.13	10.50	-126.69
CC1=CC=CC(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)=C1	REAL300005661989	0	47	-2.0	-132.58	374.92	11.81	-120.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC3=C(C=CS3)C1=O)C2	REAL300005661990	0	43	-2.0	-154.08	364.30	10.44	-143.64
COC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCSC1	REAL300005661991	0	39	-2.0	-128.61	313.12	6.60	-122.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1C1CC1)C2	REAL300005661992	0	38	-2.0	-128.05	310.73	7.32	-120.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CC3)CCC1)C2	REAL300005661993	0	41	-2.0	-129.21	311.75	8.29	-120.92
CC12CC3CC(C1)CC(C(=O)N1CC4(C(=O)[O-])CCC4(C(=O)[O-])C1)(C3)C2	REAL300005661994	0	51	-2.0	-132.29	359.26	10.11	-122.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCC3)CC1)C2	REAL300005661995	0	47	-2.0	-132.28	354.13	9.89	-122.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C4OCCOC4=C3)CC1)C2	REAL300005661996	0	47	-2.0	-134.23	382.21	9.02	-125.21
COC1=CC=CC(C(F)F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005661997	0	41	-2.0	-140.11	343.43	8.57	-131.54
COC1=CC=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN21	REAL300005661998	0	41	-2.0	-143.76	336.83	6.26	-137.50
CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005661999	0	47	-2.0	-131.99	378.43	9.96	-122.03
CC1CCC2=C(C1)C(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=NN2	REAL300005662000	0	44	-2.0	-136.48	347.18	7.83	-128.65
CN1N=C2CCCCC2=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662001	0	44	-2.0	-129.15	353.04	8.21	-120.94
CN1CCCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662002	1	42	-2.0	-133.59	325.08	5.50	-128.09
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662003	0	44	-2.0	-128.64	361.15	9.24	-119.40
CN1N=C(C(F)(F)F)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662004	0	37	-2.0	-122.83	320.52	6.63	-116.20
C[C@@H]1CC=CC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662005	0	41	-2.0	-133.14	323.72	8.30	-124.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=C(C3CC3)C=C1)C2	REAL300005662006	0	50	-2.0	-131.54	402.33	12.64	-118.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCOC3)NC1=O)C2	REAL300005662007	0	42	-2.0	-138.07	347.36	5.05	-133.02
CCN1C=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662008	0	38	-2.0	-131.89	324.70	8.74	-123.15
COC1=CC(OC)=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662009	0	40	-2.0	-125.94	341.07	3.41	-122.53
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCS1(=O)=O	REAL300005662010	0	40	-2.0	-134.85	322.39	4.98	-129.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(CC3=CC=CC=C3)=C1)C2	REAL300005662011	0	43	-2.0	-135.40	363.37	10.22	-125.18
COC1=CC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005662012	0	43	-2.0	-128.61	350.07	7.45	-121.16
CC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005662013	0	42	-2.0	-132.98	336.63	8.85	-124.13
CCN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1CC1	REAL300005662014	0	44	-2.0	-136.44	359.95	9.05	-127.39
CCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Br	REAL300005662015	0	40	-2.0	-126.65	338.30	9.62	-117.03
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=NO1	REAL300005662016	0	43	-2.0	-136.13	370.76	9.94	-126.19
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2CCC1C2	REAL300005662017	0	42	-2.0	-126.64	323.24	8.19	-118.45
COC1=NC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662018	0	40	-2.0	-132.19	341.25	4.13	-128.06
CC1=NNC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C12	REAL300005662019	0	40	-2.0	-132.13	331.87	7.15	-124.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCOC3(CCCC3)C1)C2	REAL300005662020	0	48	-2.0	-128.87	362.43	7.95	-120.92
CCOC1C(C)C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662021	0	41	-2.0	-136.07	328.88	7.49	-128.58
COC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=CC=C1	REAL300005662022	0	42	-2.0	-130.74	343.08	7.62	-123.12
CC1=CC(C)=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)N1	REAL300005662023	0	43	-2.0	-148.95	352.52	6.98	-141.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3NC=CC3=N1)C2	REAL300005662024	0	37	-2.0	-141.83	310.13	6.92	-134.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3N=CC=C3N1)C2	REAL300005662024	1	37	-2.0	-126.48	314.93	6.17	-120.31
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300005662025	0	47	-2.0	-130.39	365.87	8.70	-121.69
CCCCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662026	0	43	-2.0	-129.16	343.03	9.14	-120.02
CN1C=NC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662027	0	38	-2.0	-140.10	323.77	8.86	-131.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CC=CCC1)C2	REAL300005662028	0	41	-2.0	-126.65	325.34	9.09	-117.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCCCCC3)C=C1)C2	REAL300005662029	0	52	-2.0	-134.95	385.60	8.97	-125.98
CC(SC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662030	0	41	-2.0	-127.90	356.23	10.08	-117.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)F)SC=C1)C2	REAL300005662031	0	34	-2.0	-141.76	302.60	7.74	-134.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C2	REAL300005662032	0	47	-2.0	-127.07	387.10	11.88	-115.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=CN=N3)O1)C2	REAL300005662033	0	40	-2.0	-137.58	343.65	6.81	-130.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=CC=N3)N=C1)C2	REAL300005662034	0	40	-2.0	-135.19	336.25	8.25	-126.94
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005662035	0	40	-2.0	-131.76	345.67	10.04	-121.72
CC1=CC(C)=NN1CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662036	0	46	-2.0	-137.08	376.65	8.81	-128.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=CC3=CC=CN=C31)C2	REAL300005662037	0	38	-2.0	-147.81	317.26	7.67	-140.14
CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCS(=O)(=O)N1	REAL300005662038	0	42	-2.0	-134.67	344.55	3.08	-131.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC3=CC(Cl)=CC=C31)C2	REAL300005662039	0	39	-2.0	-123.16	341.27	8.69	-114.47
COC1=CC=CC(CC(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662040	0	50	-2.0	-132.38	395.26	10.24	-122.14
CC(C)C1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005662041	0	47	-2.0	-129.89	350.95	7.88	-122.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1CCOC3)C2	REAL300005662042	0	42	-2.0	-135.56	333.04	7.86	-127.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCC(C(F)(F)F)O1)C2	REAL300005662043	0	44	-2.0	-129.83	355.35	8.70	-121.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC(C3CC3)O1)C2	REAL300005662044	0	45	-2.0	-136.55	355.79	9.33	-127.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1CC[C@H](NC3=CN=CC=N3)CC1)C2	REAL300005662045	0	50	-2.0	-130.56	392.17	6.95	-123.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1CC[C@H](NC3=NC=CC=N3)CC1)C2	REAL300005662046	0	50	-2.0	-139.42	398.68	10.07	-129.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC[C@@H]3C[C@@H]3CC1)C2	REAL300005662047	0	44	-2.0	-129.84	322.24	9.20	-120.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CCC3=CC=CC=C3)CC1)C2	REAL300005662048	0	47	-2.0	-135.38	381.13	11.37	-124.01
COC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662049	0	43	-2.0	-129.98	358.65	6.44	-123.54
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOC2=CC=CC=C21	REAL300005662050	0	45	-2.0	-129.57	346.01	8.13	-121.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=C3)CCCO1)C2	REAL300005662051	0	45	-2.0	-131.74	355.42	9.32	-122.42
COC1=CC=C2NC=CC2=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662052	0	42	-2.0	-149.77	353.68	7.05	-142.72
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662053	0	47	-2.0	-129.17	370.19	7.31	-121.86
CN1C=NC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)=N1	REAL300005662054	0	43	-2.0	-140.63	360.38	9.83	-130.80
CC1=CC(C)=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662055	0	39	-2.0	-135.69	322.18	8.17	-127.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CCCC3)N=CS1)C2	REAL300005662056	0	43	-2.0	-129.21	346.91	8.29	-120.92
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)N2N=CN=C2N1C	REAL300005662057	0	46	-2.0	-126.87	368.06	11.37	-115.50
CC1=CC=NC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662058	0	40	-2.0	-132.85	332.08	8.17	-124.68
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662059	0	49	-2.0	-142.10	389.55	9.92	-132.18
CN1C=CC(NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)=N1	REAL300005662060	0	46	-2.0	-141.92	376.01	9.25	-132.67
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1C1=CN(C)N=C1	REAL300005662061	0	43	-2.0	-136.60	359.52	6.33	-130.27
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1C1=NN(C)C=C1	REAL300005662062	0	43	-2.0	-138.88	360.75	7.49	-131.39
CCOC1=NC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C2N1	REAL300005662063	0	44	-2.0	-135.51	359.74	5.13	-130.38
CCC(CC)OC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662064	0	50	-2.0	-134.66	387.11	9.97	-124.69
CC1=CC(F)=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005662065	0	40	-2.0	-133.25	345.87	9.29	-123.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=COC=C1)C2	REAL300005662066	0	38	-2.0	-132.08	320.17	6.00	-126.08
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=COC=C2)=N1	REAL300005662067	0	41	-2.0	-132.03	340.40	7.29	-124.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC=C1OC1CCCC1)C2	REAL300005662068	0	51	-2.0	-139.09	407.28	10.98	-128.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC=C1OC1CCOC1)C2	REAL300005662069	0	49	-2.0	-142.96	398.03	8.63	-134.33
COCC(C)(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662070	0	43	-2.0	-129.49	334.99	7.06	-122.43
CC1=CN2C=CN=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662071	0	40	-2.0	-136.32	341.92	9.14	-127.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCS(=O)(=O)C3=CC=CC=C31)C2	REAL300005662072	0	44	-2.0	-144.56	368.90	6.17	-138.39
CC(C)(C)CCC1(O)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662073	0	53	-2.0	-130.44	403.53	7.91	-122.53
CCOC1=NC=CC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662074	0	43	-2.0	-142.49	356.56	6.29	-136.20
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662075	0	40	-2.0	-141.31	349.26	9.56	-131.75
CNC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=NS1	REAL300005662076	0	38	-2.0	-132.44	329.90	5.25	-127.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=C(F)C=C3)C=C1)C2	REAL300005662077	0	45	-2.0	-132.82	378.21	10.67	-122.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC(F)=CC3=C1OCOC3)C2	REAL300005662078	0	43	-2.0	-135.08	363.91	7.94	-127.14
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662079	0	40	-2.0	-139.01	343.03	2.22	-136.79
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662080	0	43	-2.0	-136.93	373.46	4.37	-132.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=CC=C1)C2	REAL300005662081	0	41	-2.0	-131.75	335.05	7.88	-123.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=CS3)=C1)C2	REAL300005662082	0	37	-2.0	-131.01	332.94	8.57	-122.44
COCCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662083	0	47	-2.0	-124.02	387.08	5.27	-118.75
NS(=O)(=O)C1=CN(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662084	0	42	-2.0	-133.41	369.02	1.78	-131.63
NS(=O)(=O)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662085	0	42	-2.0	-145.67	360.76	3.36	-142.31
NS(=O)(=O)C1=CN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662086	0	39	-2.0	-145.65	350.33	0.82	-144.83
NS(=O)(=O)C1=CC=C(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662087	0	43	-2.0	-136.73	373.35	3.83	-132.90
CC(C)CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005662088	0	42	-2.0	-137.19	349.80	8.28	-128.91
NS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662089	0	36	-2.0	-133.66	327.66	1.95	-131.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(N3C=NC=N3)=C1)C2	REAL300005662091	0	39	-2.0	-130.17	330.03	9.65	-120.52
CC1=NOC(C(F)F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662092	0	36	-2.0	-127.08	318.75	7.18	-119.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3N=CN=C3N1)C2	REAL300005662093	0	36	-2.0	-124.39	309.46	6.93	-117.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3N=CNC3=N1)C2	REAL300005662093	1	36	-2.0	-134.86	304.35	7.61	-127.25
CC1=C(C)NC(=O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662094	0	39	-2.0	-149.57	321.11	6.24	-143.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(C3=CC=CC=C3)C1)C2	REAL300005662095	0	46	-2.0	-130.36	360.82	8.40	-121.96
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CC(=O)N1	REAL300005662096	0	37	-2.0	-133.14	309.30	5.46	-127.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1C=CCCC1)C2	REAL300005662097	0	41	-2.0	-129.17	321.10	9.06	-120.11
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005662098	0	40	-2.0	-138.39	349.03	9.63	-128.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC3=CC=NC=C3C=C1)C2	REAL300005662099	0	42	-2.0	-133.38	351.21	9.42	-123.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC3=CNN=C3C=C1)C2	REAL300005662100	0	40	-2.0	-137.83	336.47	7.65	-130.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(C(F)F)=C1)C2	REAL300005662101	0	40	-2.0	-136.58	344.38	9.88	-126.70
CC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005662102	0	40	-2.0	-133.04	346.69	9.56	-123.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NC=CN3C=C1)C2	REAL300005662103	0	37	-2.0	-139.35	316.62	8.67	-130.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=NC=CN31)C2	REAL300005662104	0	37	-2.0	-137.89	314.43	8.42	-129.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3N=NN=C3C=C1)C2	REAL300005662105	0	35	-2.0	-130.40	306.57	6.23	-124.17
CC1=CN2C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C2C=C1	REAL300005662106	0	40	-2.0	-136.14	328.28	8.76	-127.38
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005662107	0	40	-2.0	-149.91	330.86	9.65	-140.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=C3C=CC=CN31)C2	REAL300005662108	0	37	-2.0	-144.13	308.47	9.06	-135.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCCCC3=NO1)C2	REAL300005662109	0	40	-2.0	-130.45	326.91	7.62	-122.83
CC1=CC=C2OC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2=C1	REAL300005662110	0	45	-2.0	-132.81	362.80	10.35	-122.46
COC1=CC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N2C=C1	REAL300005662111	0	41	-2.0	-132.59	334.17	7.47	-125.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NOC=C1)C2	REAL300005662112	0	36	-2.0	-130.72	306.58	7.03	-123.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CN=CN=C1)C2	REAL300005662113	0	38	-2.0	-129.80	321.25	7.75	-122.05
COC1=COC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC1=O	REAL300005662114	0	37	-2.0	-127.29	314.38	6.22	-121.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3C=NC=C3C=C1)C2	REAL300005662115	1	37	-2.0	-131.27	319.45	9.66	-121.61
CCC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662116	0	39	-2.0	-128.21	317.22	7.44	-120.77
CC1=CSC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662117	0	39	-2.0	-131.71	338.20	7.45	-124.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=NC=C3N=C1)C2	REAL300005662118	0	38	-2.0	-125.24	315.54	6.39	-118.85
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1C	REAL300005662119	0	39	-2.0	-138.50	317.21	8.02	-130.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC(F)=C3N=C1)C2	REAL300005662120	0	39	-2.0	-128.71	326.88	8.23	-120.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CCCC3)C=C1)C2	REAL300005662121	0	47	-2.0	-132.67	365.93	10.87	-121.80
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=NN1	REAL300005662122	0	37	-2.0	-125.71	328.76	5.98	-119.73
CC1=NNC(C(F)(F)F)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662122	1	37	-2.0	-131.54	329.22	6.05	-125.49
CCOC1=NOC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662123	0	37	-2.0	-127.21	314.93	4.44	-122.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(=O)C3=CC=CN31)C2	REAL300005662124	0	41	-2.0	-129.33	338.24	8.12	-121.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1NC(=O)C=C3)C2	REAL300005662125	0	40	-2.0	-138.50	332.01	7.20	-131.30
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662126	0	45	-2.0	-145.61	371.87	3.94	-141.67
COCCOC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662127	0	44	-2.0	-132.77	359.33	5.49	-127.28
CNS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662128	0	41	-2.0	-132.67	355.59	1.94	-130.73
NS(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662129	0	38	-2.0	-129.21	328.32	0.78	-128.43
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662130	0	44	-2.0	-131.89	374.58	3.76	-128.13
CN1C=NC(S(=O)(=O)NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662131	0	42	-2.0	-135.58	368.33	3.71	-131.87
CC(C)C1(C)CC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662132	0	43	-2.0	-129.33	332.47	8.78	-120.55
CC(O)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CC1	REAL300005662133	0	41	-2.0	-134.48	325.72	5.99	-128.49
CCC(C)(C)C1CCC2(CC2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662134	0	59	-2.0	-130.53	421.37	12.31	-118.22
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1CC1	REAL300005662135	0	45	-2.0	-130.11	356.79	9.20	-120.91
CC1=CC=C(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005662136	0	47	-2.0	-133.70	399.01	10.57	-123.13
CSCC1=NOC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662137	0	42	-2.0	-131.19	367.90	6.39	-124.80
CCOC1=NC(C)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662138	0	43	-2.0	-141.03	351.70	7.04	-133.99
CCCOC1=NC(C)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662139	0	46	-2.0	-141.24	373.20	7.84	-133.40
COCCC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662140	0	43	-2.0	-132.38	325.70	6.14	-126.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CS3)CCCCC1)C2	REAL300005662141	0	50	-2.0	-135.24	382.27	10.72	-124.52
COC1=CC(OC2CC2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662142	0	46	-2.0	-136.75	371.38	8.87	-127.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CC=C3)C=N1)C2	REAL300005662143	0	44	-2.0	-132.72	368.00	9.77	-122.95
CC(C)(C)OC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662144	0	46	-2.0	-132.78	359.22	7.93	-124.85
CC1=NC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662145	0	41	-2.0	-130.03	342.63	7.73	-122.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCC1=NNN=C1)C2	REAL300005662146	0	42	-2.0	-131.87	348.40	6.38	-125.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCC1=CNN=N1)C2	REAL300005662146	1	42	-2.0	-135.47	348.50	6.45	-129.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC(Cl)=CC3=C1OCC3)C2	REAL300005662147	0	42	-2.0	-134.26	366.75	9.09	-125.17
CCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N=N1	REAL300005662149	0	41	-2.0	-122.09	334.04	6.98	-115.11
CC1(CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)COC1	REAL300005662150	0	44	-2.0	-137.45	358.43	5.41	-132.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)(F)F)N=CO1)C2	REAL300005662151	0	33	-2.0	-127.57	295.59	3.98	-123.59
CC(C)N1C=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662152	0	40	-2.0	-138.15	329.28	9.14	-129.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COCCN1CC(F)F)C2	REAL300005662154	0	43	-2.0	-134.46	331.30	4.07	-130.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(N3C=CN=N3)=C1)C2	REAL300005662155	0	39	-2.0	-139.27	326.87	5.90	-133.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=C(Cl)C=C1)C2	REAL300005662156	0	41	-2.0	-129.25	351.78	8.40	-120.85
CC(C)(C)C(Br)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662157	0	39	-2.0	-125.56	322.41	7.80	-117.76
CC1=CC(C)=NN1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662158	0	43	-2.0	-132.51	354.29	7.97	-124.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)NC1=O)C2	REAL300005662159	0	37	-2.0	-146.70	332.12	5.89	-140.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)C1=CC=CN=C1)C2	REAL300005662160	0	41	-2.0	-129.77	362.53	2.78	-126.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=NC=C1)C2	REAL300005662161	0	36	-2.0	-130.68	305.09	7.18	-123.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(N1)SC=C3)C2	REAL300005662162	0	35	-2.0	-129.03	302.90	7.31	-121.72
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=NN=CN1	REAL300005662163	0	39	-2.0	-133.48	335.00	10.29	-123.19
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=NNC=N1	REAL300005662163	1	39	-2.0	-143.16	334.36	10.14	-133.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=CN=C3)N=C1)C2	REAL300005662164	0	40	-2.0	-129.93	336.08	9.36	-120.57
CC1=NOC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005662165	0	38	-2.0	-122.02	316.69	5.14	-116.88
CCCN(CC)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662166	0	51	-2.0	-137.14	398.71	10.78	-126.36
CCN(C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1)C(C)C	REAL300005662167	0	51	-2.0	-136.88	387.79	10.32	-126.56
CCOC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1O	REAL300005662168	0	46	-2.0	-132.59	381.39	7.50	-125.09
CCCN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662169	0	48	-2.0	-135.11	377.09	9.79	-125.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN1CC1=CC=C(F)C=C1)C2	REAL300005662170	0	49	-2.0	-137.29	392.94	8.79	-128.50
CC(C)C1=CC=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCC2)C=C1	REAL300005662171	0	56	-2.0	-134.85	418.08	12.31	-122.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(CN3C=NC=N3)=C1)C2	REAL300005662172	0	43	-2.0	-140.42	357.99	10.83	-129.59
CC1=NOC(C2CC2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662173	0	40	-2.0	-127.89	340.63	8.64	-119.25
CN1N=NC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C21	REAL300005662174	0	38	-2.0	-130.34	317.19	5.34	-125.00
C#CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662175	0	36	-2.0	-134.63	309.53	8.92	-125.71
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=NC=N1	REAL300005662176	0	36	-2.0	-139.14	302.68	7.40	-131.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3=NNC=N3)=C1)C2	REAL300005662177	0	40	-2.0	-136.66	334.45	8.61	-128.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3=NN=CN3)=C1)C2	REAL300005662177	1	40	-2.0	-141.94	332.95	8.94	-133.00
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300005662178	0	40	-2.0	-127.37	336.73	9.61	-117.76
CN1C=NC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C21	REAL300005662179	0	39	-2.0	-138.43	321.55	8.21	-130.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC=CN1)C2	REAL300005662180	0	37	-2.0	-130.99	310.99	6.42	-124.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(NC3CC3)=N1)C2	REAL300005662181	0	39	-2.0	-135.10	336.76	7.31	-127.79
CC1=NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2N1C	REAL300005662182	0	43	-2.0	-131.50	347.04	8.84	-122.66
CC1=NN(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662183	0	43	-2.0	-132.77	349.10	7.98	-124.79
CCNC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005662184	0	38	-2.0	-134.92	327.24	6.49	-128.43
CC1=CC=C2SN=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005662185	0	39	-2.0	-135.68	335.43	9.06	-126.62
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(S(N)(=O)=O)O1	REAL300005662186	0	39	-2.0	-131.97	339.66	1.70	-130.27
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=C(Cl)C=C1	REAL300005662187	0	49	-2.0	-130.04	392.69	11.77	-118.27
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662188	0	51	-2.0	-137.89	403.78	12.29	-125.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC1=CC=CC(Cl)=C1)C2	REAL300005662189	0	41	-2.0	-131.97	361.42	9.88	-122.09
CC1=C(Br)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)N1	REAL300005662190	0	37	-2.0	-136.88	332.92	6.14	-130.74
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)=C2	REAL300005662191	0	40	-2.0	-128.44	354.47	7.78	-120.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3CCOCC3)=N1)C2	REAL300005662192	0	44	-2.0	-131.73	357.96	5.07	-126.66
CCC1=NC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)=NN1	REAL300005662193	0	46	-2.0	-136.52	380.97	9.02	-127.50
COCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005662194	0	45	-2.0	-136.81	381.80	7.86	-128.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=CC=C3)CCOCC1)C2	REAL300005662195	0	51	-2.0	-139.46	375.03	9.33	-130.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCS(=O)(=O)C1)C2	REAL300005662196	0	43	-2.0	-137.80	352.07	5.22	-132.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CCOCC3)N=N1)C2	REAL300005662197	0	44	-2.0	-134.22	356.13	5.53	-128.69
CC(C)C1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005662198	0	50	-2.0	-129.61	380.05	8.94	-120.67
CCC1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005662199	0	47	-2.0	-128.67	363.07	8.41	-120.26
CCC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005662200	0	44	-2.0	-129.00	342.89	7.54	-121.46
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005662201	0	46	-2.0	-126.60	386.96	10.69	-115.91
NC1=NC(C2CC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662202	0	41	-2.0	-129.18	336.52	6.48	-122.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCCC3=CO1)C2	REAL300005662203	0	38	-2.0	-133.21	311.90	8.17	-125.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3CCOCC3=CO1)C2	REAL300005662204	0	39	-2.0	-132.69	318.44	6.30	-126.39
C=CC(C)(CCOC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662205	0	44	-2.0	-134.95	332.85	6.96	-127.99
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CN(C)N=C1	REAL300005662206	0	41	-2.0	-128.63	338.09	6.37	-122.26
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)S(=O)(=O)C1CC1	REAL300005662207	0	43	-2.0	-145.50	346.75	4.92	-140.58
CN1C=C(OC2=CC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662208	0	45	-2.0	-139.15	374.30	9.02	-130.13
CN1N=CC2=C1N=C(CCC(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)NC2=O	REAL300005662209	0	45	-2.0	-132.68	379.42	6.95	-125.73
COC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1O	REAL300005662210	0	42	-2.0	-133.03	350.47	6.07	-126.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(O)C(F)=C1)C2	REAL300005662211	0	38	-2.0	-131.49	327.46	6.17	-125.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1CCCCC1)C2	REAL300005662212	0	44	-2.0	-130.89	335.66	7.03	-123.86
CC1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662213	0	46	-2.0	-129.98	350.88	9.82	-120.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3=CC=NC=C3)=C1)C2	REAL300005662214	0	39	-2.0	-133.16	335.19	7.61	-125.55
CC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662215	0	36	-2.0	-134.37	298.27	6.28	-128.09
CS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662216	0	33	-2.0	-138.35	294.96	2.92	-135.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC(O)=C1)C2	REAL300005662217	0	38	-2.0	-132.16	321.23	6.09	-126.07
COC1=CC=CC=C1C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005662218	0	44	-2.0	-134.59	371.83	8.85	-125.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)CCC1=CC=CC=C1)C2	REAL300005662219	0	44	-2.0	-125.74	358.06	8.21	-117.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3OC(F)(F)OC3=C1)C2	REAL300005662220	0	37	-2.0	-127.68	319.00	6.84	-120.84
CC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662221	0	36	-2.0	-127.73	295.74	6.67	-121.06
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005662222	0	43	-2.0	-133.10	317.44	8.02	-125.08
CCCOC1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662224	0	43	-2.0	-141.59	349.93	9.23	-132.36
CC(C)(C)C1=CC=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2)C=C1	REAL300005662225	0	56	-2.0	-133.90	424.92	12.28	-121.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CC=N3)S1)C2	REAL300005662226	0	39	-2.0	-131.36	347.55	6.72	-124.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3C=CN=C3)N=N1)C2	REAL300005662227	0	39	-2.0	-135.63	332.46	8.96	-126.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NC3=CC=NC=C3)C=C1)C2	REAL300005662228	1	45	-2.0	-135.34	368.36	7.98	-127.36
CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005662229	0	40	-2.0	-139.29	345.33	7.33	-131.96
CN1C=CN=C1CNC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662230	0	49	-2.0	-142.43	399.04	8.70	-133.73
CCOCCS(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662231	0	45	-2.0	-132.75	383.69	2.35	-130.40
CC1=CN2C=CN=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=N1	REAL300005662232	0	39	-2.0	-144.83	327.68	8.23	-136.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(N3CCOCC3)=C1)C2	REAL300005662233	0	46	-2.0	-128.82	358.46	4.78	-124.04
COC1=CC=CC=C1N1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662234	0	48	-2.0	-140.66	385.19	8.86	-131.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC13CCOC3)C2	REAL300005662235	0	39	-2.0	-130.80	313.91	6.53	-124.27
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300005662236	0	43	-2.0	-137.44	367.86	10.17	-127.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3=CC=CC=C3)SC=N1)C2	REAL300005662237	0	40	-2.0	-135.53	350.23	9.39	-126.14
CN(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300005662238	0	47	-2.0	-135.88	379.11	8.91	-126.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3CCOC3)C=C1)C2	REAL300005662239	0	46	-2.0	-134.57	367.63	7.04	-127.53
CC1=C(Br)C=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662240	0	40	-2.0	-132.34	348.55	9.54	-122.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(O)=C1OC(F)(F)F)C2	REAL300005662241	0	39	-2.0	-136.22	343.10	6.27	-129.95
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)NC2=CC=CC=C21	REAL300005662242	0	43	-2.0	-137.88	356.59	7.60	-130.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CC=CN3C(C(F)(F)F)=N1)C2	REAL300005662243	0	40	-2.0	-145.99	348.93	9.89	-136.10
CC1=NOC(C)=C1C(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662244	0	45	-2.0	-133.49	342.40	8.14	-125.35
CCCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CN1	REAL300005662245	0	41	-2.0	-138.81	327.70	7.74	-131.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=CC=CC=C3N=C1C1CC1)C2	REAL300005662246	0	45	-2.0	-135.13	367.34	9.42	-125.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CN=C3)CC1)C2	REAL300005662247	0	40	-2.0	-129.32	333.74	7.77	-121.55
CN(C)C1=CC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662248	0	48	-2.0	-130.77	384.13	10.16	-120.61
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(Br)C(=O)N1	REAL300005662249	0	37	-2.0	-123.00	330.77	6.18	-116.82
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N(C)CC(F)(F)F	REAL300005662250	0	41	-2.0	-130.08	329.55	5.78	-124.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(N3CCOCC3)CC1)C2	REAL300005662252	1	53	-2.0	-132.60	388.18	6.46	-126.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC3=NNN=C31)C2	REAL300005662253	0	36	-2.0	-129.02	311.36	5.20	-123.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NN=NC3=CC(F)=C1)C2	REAL300005662253	1	36	-2.0	-123.24	311.36	5.16	-118.08
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662254	0	47	-2.0	-133.51	396.70	9.82	-123.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN=CN1CC1=CC=CC=C1)C2	REAL300005662255	0	47	-2.0	-136.47	389.16	11.40	-125.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(CO)C1=CC=CC=C1)C2	REAL300005662256	0	41	-2.0	-131.09	337.52	6.02	-125.07
NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC(F)(F)F	REAL300005662257	0	40	-2.0	-133.45	335.94	5.42	-128.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(O)C(F)=C1)C2	REAL300005662258	0	35	-2.0	-130.41	296.62	4.98	-125.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300005662258	1	34	-3.0	-185.13	293.06	5.75	-179.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1=CC=C(Cl)C=C1)C2	REAL300005662259	0	38	-2.0	-126.33	326.05	7.09	-119.24
CSCCC(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662260	0	38	-2.0	-130.00	321.67	5.67	-124.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(F)C3=CC=CC=C13)C2	REAL300005662261	0	40	-2.0	-128.93	332.57	10.20	-118.73
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005662262	0	37	-2.0	-133.54	318.45	8.98	-124.56
CC(C)CC1=CC=C(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662263	0	52	-2.0	-130.03	405.60	12.03	-118.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=CC(O)=CC=C31)C2	REAL300005662264	0	41	-2.0	-133.38	337.98	7.32	-126.06
CC1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662265	0	34	-2.0	-126.43	298.10	7.14	-119.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCN1C=NC3=CC=CC=C31)C2	REAL300005662266	0	46	-2.0	-136.63	380.45	11.33	-125.30
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005662267	0	43	-2.0	-128.07	348.69	4.79	-123.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1NCC1=CC=CC=C1)C2	REAL300005662268	0	49	-2.0	-135.64	395.69	10.68	-124.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3=CC=CC=C3C1)C2	REAL300005662269	0	41	-2.0	-129.34	328.68	9.84	-119.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1N1CCCCC1)C2	REAL300005662270	0	48	-2.0	-131.93	377.10	8.93	-123.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1O)C2	REAL300005662271	0	38	-2.0	-127.23	331.71	6.72	-120.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300005662271	1	37	-3.0	-209.57	327.80	7.60	-201.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(C(F)(F)F)CC1)C2	REAL300005662272	0	43	-2.0	-131.86	347.64	8.71	-123.15
CC(NS(C)(=O)=O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662273	0	38	-2.0	-128.35	322.65	1.83	-126.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H](O)C1=CC=CC=C1Cl)C2	REAL300005662274	0	38	-2.0	-134.05	322.74	6.76	-127.29
CC1=NOC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662275	0	36	-2.0	-137.84	310.63	6.73	-131.11
CC(C)(C)C1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662276	0	49	-2.0	-131.33	386.41	11.27	-120.06
C[C@@H](OCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662277	0	44	-2.0	-131.66	359.60	9.85	-121.81
NC1=C(Cl)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005662278	0	36	-2.0	-126.99	322.97	6.79	-120.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(O)CC1)C2	REAL300005662279	0	41	-2.0	-134.98	319.28	4.59	-130.39
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C(F)(F)F)O1	REAL300005662280	0	37	-2.0	-129.36	321.17	7.96	-121.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC1=CC=CC(C(F)(F)F)=C1)C2	REAL300005662281	0	42	-2.0	-127.51	361.81	8.21	-119.30
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662282	0	42	-2.0	-131.73	343.51	7.05	-124.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(F)(F)F)=NN1)C2	REAL300005662283	0	34	-2.0	-121.24	303.08	5.71	-115.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C(F)(F)F)=C1)C2	REAL300005662283	1	34	-2.0	-128.91	305.18	5.74	-123.17
CC1=CC=CN2C=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C12	REAL300005662284	0	43	-2.0	-137.18	361.02	10.09	-127.09
CC1=NC=CN1CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662285	0	43	-2.0	-134.78	353.36	9.12	-125.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCN1CCOCC1)C2	REAL300005662286	0	49	-2.0	-130.42	381.54	6.01	-124.41
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005662287	0	34	-2.0	-131.27	292.38	7.55	-123.72
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCOCC1	REAL300005662288	0	46	-2.0	-131.96	332.54	5.91	-126.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3COCC(C1)C3=O)C2	REAL300005662290	0	44	-2.0	-130.14	333.12	7.97	-122.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CCCCCC1)C2	REAL300005662291	0	41	-2.0	-132.82	324.87	8.48	-124.34
CC(C)(O)C(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662292	0	38	-2.0	-131.14	296.04	2.36	-128.78
CCC(CC)(CO)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662293	0	43	-2.0	-135.59	317.83	4.28	-131.31
CC1(C)CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662294	0	43	-2.0	-134.02	330.12	8.75	-125.27
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N(C)N=C1	REAL300005662295	0	37	-2.0	-128.70	311.25	6.47	-122.23
CSCC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662296	0	40	-2.0	-124.58	321.77	7.48	-117.10
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)=C1CCCC1	REAL300005662297	0	41	-2.0	-131.47	315.68	8.77	-122.70
CC=C(C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC	REAL300005662298	0	41	-2.0	-128.76	336.52	9.08	-119.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCS1)C2	REAL300005662299	0	38	-2.0	-138.49	315.78	8.05	-130.44
CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005662300	0	43	-2.0	-128.36	326.72	9.00	-119.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(=O)N1)C2	REAL300005662301	0	31	-2.0	-126.19	278.97	4.14	-122.05
CCC(C)(C)C(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662302	0	43	-2.0	-129.82	316.37	6.09	-123.73
CSC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1	REAL300005662303	0	38	-2.0	-133.56	316.73	7.79	-125.77
COC(CC(C)C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662304	0	43	-2.0	-126.28	337.32	7.90	-118.38
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NS1	REAL300005662305	0	33	-2.0	-134.88	289.33	6.67	-128.21
CCC1=NOC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662306	0	36	-2.0	-124.78	299.36	6.62	-118.16
CCN1N=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662307	0	36	-2.0	-128.09	299.19	4.98	-123.11
CC1=COC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662308	0	37	-2.0	-131.59	305.72	7.61	-123.98
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662309	0	43	-2.0	-130.01	329.33	8.77	-121.24
CC1CCC(=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662310	0	41	-2.0	-131.17	325.67	9.14	-122.03
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(F)F	REAL300005662311	0	36	-2.0	-122.63	290.81	6.81	-115.82
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CC1	REAL300005662312	0	43	-2.0	-131.68	330.58	8.70	-122.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300005662313	0	34	-3.0	-180.37	296.66	4.33	-176.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300005662313	1	34	-3.0	-180.35	296.72	4.34	-176.01
C#CC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662314	0	35	-2.0	-127.43	301.58	7.20	-120.23
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC1=CC=NC=C1	REAL300005662315	0	47	-2.0	-132.81	382.56	9.49	-123.32
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1C	REAL300005662316	0	44	-2.0	-130.81	356.16	10.72	-120.09
CC(O)(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662317	0	44	-2.0	-131.53	350.46	7.10	-124.43
CC(OC1=CC=CN=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662318	0	40	-2.0	-129.66	327.11	7.50	-122.16
CCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005662319	0	46	-2.0	-138.92	379.60	10.42	-128.50
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005662320	0	44	-2.0	-132.21	356.92	9.10	-123.11
COCCCC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662321	0	43	-2.0	-129.02	343.14	6.94	-122.08
CNS(=O)(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662322	0	47	-2.0	-127.93	378.33	3.23	-124.70
COCCCOCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662323	0	41	-2.0	-132.66	339.95	6.19	-126.47
CCC(SC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662324	0	37	-2.0	-126.96	309.60	7.57	-119.39
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N2)=C1	REAL300005662325	0	48	-2.0	-128.16	389.03	8.72	-119.44
CC1=CC=C(C2=CN=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=C1	REAL300005662326	0	46	-2.0	-131.81	372.77	10.20	-121.61
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=N2)=NO1	REAL300005662327	0	42	-2.0	-139.96	361.88	8.28	-131.68
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CN=C2)=NO1	REAL300005662328	0	42	-2.0	-129.68	356.13	8.33	-121.35
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=NC=C2)=NO1	REAL300005662329	0	42	-2.0	-124.11	360.74	8.16	-115.95
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=CC=N1	REAL300005662330	0	40	-2.0	-132.19	327.17	7.38	-124.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3CCC3)=N1)C2	REAL300005662331	0	40	-2.0	-134.94	330.13	6.22	-128.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(O)CCSC1)C2	REAL300005662332	0	36	-2.0	-126.23	296.89	4.39	-121.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1(CN3C=NN=N3)CCCCC1)C2	REAL300005662333	0	51	-2.0	-128.02	381.51	9.76	-118.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=CC=C1OC1=CC=CC=C1)C2	REAL300005662334	0	44	-2.0	-143.09	366.25	10.96	-132.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1=CC=C(Cl)C=C1F)C2	REAL300005662335	0	38	-2.0	-131.93	335.45	7.00	-124.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C2	REAL300005662336	0	38	-2.0	-124.97	342.80	7.58	-117.39
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1N1CCOCC1	REAL300005662337	0	50	-2.0	-131.87	387.04	7.97	-123.90
CN1C=C(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)O2)C=N1	REAL300005662338	0	41	-2.0	-130.71	352.45	7.84	-122.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(CN3C=CC=N3)=C1)C2	REAL300005662341	0	40	-2.0	-141.13	344.35	7.43	-133.70
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662342	0	40	-2.0	-138.99	346.33	7.47	-131.52
COC1=CC=CC(C(C)CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662343	0	53	-2.0	-132.70	418.38	10.95	-121.75
CC1CC2=C(NN=C2)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662344	0	44	-2.0	-128.24	351.76	7.04	-121.20
CC1CC2=CNN=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662344	1	44	-2.0	-132.31	351.58	7.06	-125.25
CC1=NOC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2)=C1	REAL300005662345	0	40	-2.0	-128.95	339.72	8.28	-120.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CNC(=O)C=C1)C2	REAL300005662346	0	40	-2.0	-132.24	339.45	6.58	-125.66
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662347	0	40	-2.0	-129.78	336.49	6.52	-123.26
CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1C	REAL300005662348	0	37	-2.0	-132.46	301.32	6.77	-125.69
CN1N=CC2=C1CC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005662349	0	44	-2.0	-133.15	349.65	7.54	-125.61
CC1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662350	0	35	-2.0	-136.91	296.07	6.75	-130.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(O)C=C1)C2	REAL300005662351	0	41	-2.0	-130.59	342.63	6.89	-123.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=NC=CC=C3C=C1)C2	REAL300005662352	0	38	-2.0	-150.14	319.00	8.08	-142.06
CCS(=O)(=O)NC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662353	0	41	-2.0	-126.17	345.53	2.80	-123.37
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662354	0	49	-2.0	-138.57	403.60	10.75	-127.82
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CC=CC=N1	REAL300005662355	0	47	-2.0	-137.91	375.40	10.97	-126.94
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CC=CN=C1	REAL300005662356	0	47	-2.0	-135.87	378.71	9.98	-125.89
CCS(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662357	0	38	-2.0	-132.48	328.16	2.31	-130.17
CS(=O)(=O)NCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662358	0	38	-2.0	-137.64	328.74	2.09	-135.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300005662359	0	37	-2.0	-132.09	314.66	8.57	-123.52
CC1CCN(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=N2)CC1	REAL300005662360	0	51	-2.0	-124.09	394.34	9.02	-115.07
COC1=CC=C(CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=N2)C=C1	REAL300005662361	0	48	-2.0	-136.42	394.14	8.69	-127.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCCC3)N=C1)C2	REAL300005662362	0	45	-2.0	-124.29	356.69	7.67	-116.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CC1)NC(=O)NC3=O)C2	REAL300005662363	0	46	-2.0	-136.66	361.64	3.45	-133.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCCC3)N=N1)C2	REAL300005662364	0	44	-2.0	-135.30	353.21	7.05	-128.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CNC3=N1)C2	REAL300005662366	0	37	-2.0	-154.20	312.18	7.89	-146.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(F)F)=NN1)C2	REAL300005662367	0	34	-2.0	-123.87	296.78	5.56	-118.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C(F)F)=C1)C2	REAL300005662367	1	34	-2.0	-134.94	299.15	5.59	-129.35
CN1C=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CN=C21	REAL300005662368	0	39	-2.0	-147.75	326.23	8.26	-139.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(N3C=CC=N3)=C1)C2	REAL300005662370	0	40	-2.0	-131.75	335.23	8.32	-123.43
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N(C)CC1=CC=CC=C1	REAL300005662371	1	48	-2.0	-129.41	372.26	8.18	-121.23
CC(C)CC1=CC=C([C@H](C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662372	0	52	-2.0	-130.00	405.68	12.02	-117.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(CC(F)(F)F)CC1)C2	REAL300005662373	0	45	-2.0	-130.20	352.10	6.47	-123.73
CCNC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662374	0	42	-2.0	-132.26	353.52	8.28	-123.98
CNC1=CC(Cl)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662375	0	39	-2.0	-128.13	331.20	7.37	-120.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1(O)CCCC1)C2	REAL300005662376	0	41	-2.0	-127.36	319.50	6.30	-121.06
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1C	REAL300005662377	0	36	-2.0	-136.77	299.99	5.21	-131.56
CC(C)CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662378	0	45	-2.0	-136.37	369.04	7.61	-128.76
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1CC	REAL300005662379	0	42	-2.0	-136.87	342.98	6.82	-130.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=CO3)S1)C2	REAL300005662380	0	34	-2.0	-132.52	300.01	7.13	-125.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCN(C3=CC=CC=N3)CC1)C2	REAL300005662381	0	50	-2.0	-133.02	392.01	6.67	-126.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC(C3=CC=CC=C3)=N1)C2	REAL300005662382	0	41	-2.0	-143.14	346.04	9.01	-134.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CC=C3)N1)C2	REAL300005662382	1	41	-2.0	-127.30	341.55	8.83	-118.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=CC=C1Cl)C2	REAL300005662383	0	41	-2.0	-130.82	351.80	8.31	-122.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=CC(Cl)=C1)C2	REAL300005662384	0	41	-2.0	-130.25	350.84	8.32	-121.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CN=C3)S1)C2	REAL300005662385	0	39	-2.0	-127.78	346.18	6.62	-121.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=C(Cl)C=CC=C12	REAL300005662386	0	41	-2.0	-133.11	346.90	9.42	-123.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3=CC=CC=C3)N(CCO)N=C1)C2	REAL300005662387	0	48	-2.0	-139.87	395.80	6.33	-133.54
CCC(O)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005662388	0	44	-2.0	-125.14	360.29	7.67	-117.47
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CCCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005662390	0	53	-2.0	-135.96	407.13	10.41	-125.55
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1CCCC1	REAL300005662391	0	50	-2.0	-135.79	385.61	9.63	-126.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1CCCCC1	REAL300005662392	0	50	-2.0	-135.39	384.73	9.43	-125.96
CCCCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662393	0	46	-2.0	-133.84	364.34	8.43	-125.41
CCCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005662394	0	46	-2.0	-128.00	365.84	8.52	-119.48
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C(CC)CC	REAL300005662395	0	52	-2.0	-135.32	405.42	9.72	-125.60
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COC1=CC=CN=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662397	0	40	-2.0	-141.50	337.06	6.06	-135.44
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CN(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CN=CN1C	REAL300005662399	0	45	-2.0	-133.41	350.23	7.45	-125.96
CN1N=NC2=C1CC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005662400	0	43	-2.0	-130.24	346.04	6.37	-123.87
CN1C=C2C(=N1)CCCC2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662401	0	44	-2.0	-136.63	353.47	8.15	-128.48
CN1C=C(C(O)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662402	0	38	-2.0	-126.44	318.40	4.14	-122.30
CN(C)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662403	1	44	-2.0	-129.67	354.69	5.59	-124.08
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CCC(C)(C)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662405	0	49	-2.0	-132.10	355.46	10.28	-121.82
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CCN(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662413	1	48	-2.0	-131.51	372.12	8.35	-123.16
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CN1CCOC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662415	0	40	-2.0	-134.54	319.64	4.39	-130.15
CCN1N=C(C)C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662416	0	46	-2.0	-135.45	372.89	8.56	-126.89
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300005662417	0	46	-2.0	-138.51	385.19	6.87	-131.64
CCN(CC)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662418	1	51	-2.0	-130.29	389.72	9.11	-121.18
CC(C)COC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662419	0	46	-2.0	-140.49	371.95	7.77	-132.72
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CSCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662421	0	40	-2.0	-129.58	337.93	8.76	-120.82
CSC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662422	0	41	-2.0	-129.68	350.47	9.83	-119.85
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COC1=CC=CC(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2)=C1	REAL300005662424	0	45	-2.0	-133.82	367.22	9.16	-124.66
CN(C)S(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662425	0	40	-2.0	-129.83	341.44	1.83	-128.00
CC1=CC=NN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662426	0	37	-2.0	-135.46	315.31	6.57	-128.89
CC(C)C1=NC=CN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662427	0	43	-2.0	-134.32	356.30	8.40	-125.92
CCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005662428	0	36	-2.0	-132.79	309.10	4.73	-128.06
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CNC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005662430	0	35	-2.0	-135.18	305.76	5.66	-129.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CC3)NC1=O)C2	REAL300005662431	0	40	-2.0	-149.32	340.04	6.46	-142.86
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CN(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005662432	0	45	-2.0	-127.87	374.25	8.27	-119.60
CCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005662433	0	47	-2.0	-135.82	377.72	9.72	-126.10
CC(C)(C)OCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005662434	0	46	-2.0	-135.79	371.80	7.58	-128.21
CC=CCOC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662435	0	48	-2.0	-134.77	396.18	10.62	-124.15
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1CCC(C)C	REAL300005662436	0	49	-2.0	-133.38	381.90	8.94	-124.44
CC(C)CC1=CC=CC(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662437	0	52	-2.0	-129.52	405.64	12.01	-117.51
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662438	0	44	-2.0	-127.10	363.66	9.60	-117.50
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005662439	0	42	-2.0	-135.43	350.35	7.39	-128.04
COCCOC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662440	0	48	-2.0	-138.07	395.20	8.44	-129.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC(F)F)C(F)=C1)C2	REAL300005662441	0	38	-2.0	-130.31	324.81	7.40	-122.91
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005662442	0	44	-2.0	-138.77	369.32	10.01	-128.76
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005662443	0	50	-2.0	-138.86	401.11	11.03	-127.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CCC3=CC=CC=C3)N=N1)C2	REAL300005662444	0	46	-2.0	-136.59	389.88	9.35	-127.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOC1=CC=C3CCCC3=C1)C2	REAL300005662446	0	51	-2.0	-133.02	407.11	11.26	-121.76
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662447	0	43	-2.0	-130.66	367.68	8.10	-122.56
CN1C=C(CNC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)C=N1	REAL300005662448	0	49	-2.0	-141.25	401.34	8.14	-133.11
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662449	0	49	-2.0	-135.78	392.61	9.22	-126.56
CCSCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005662450	0	40	-2.0	-136.54	348.16	8.52	-128.02
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005662451	0	43	-2.0	-130.58	332.56	8.48	-122.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC=C1N1C=CC=N1)C2	REAL300005662452	0	41	-2.0	-142.45	344.38	9.61	-132.84
CC(C)(C)C1=NNC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662454	0	43	-2.0	-127.22	330.43	6.73	-120.49
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCOC(CC)C1	REAL300005662455	0	52	-2.0	-130.90	389.00	6.98	-123.92
CCN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=CC=C1Cl	REAL300005662456	0	48	-2.0	-132.57	391.50	9.17	-123.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCN(CC(F)(F)F)CC1)C2	REAL300005662457	0	48	-2.0	-132.56	374.42	7.41	-125.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN(CC(F)F)C1)C2	REAL300005662458	0	45	-2.0	-137.16	356.44	6.44	-130.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=C1NN=N3)C2	REAL300005662460	0	40	-2.0	-135.13	326.99	5.38	-129.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C2	REAL300005662461	0	47	-2.0	-138.73	379.34	10.14	-128.59
CC1=NC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662462	0	39	-2.0	-134.16	325.52	7.21	-126.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=CC(O)=CC=C13)C2	REAL300005662463	0	38	-2.0	-132.18	321.28	5.41	-126.77
CC(C)(C)CC(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662464	0	48	-2.0	-134.24	334.88	8.88	-125.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(C3=CC=CC=C3)=C1)C2	REAL300005662465	0	43	-2.0	-130.32	348.68	9.41	-120.91
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=NC2=CC=CC=C2S1	REAL300005662466	0	44	-2.0	-142.60	377.41	10.00	-132.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(NC3=NC=CC=N3)=C1)C2	REAL300005662467	0	44	-2.0	-133.99	360.89	10.42	-123.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H](O)CC1=CC=CC=C1)C2	REAL300005662469	0	41	-2.0	-125.35	336.09	7.37	-117.98
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COC1=CC(C)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662472	0	41	-2.0	-138.34	332.58	8.47	-129.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(O)=C1)C2	REAL300005662473	0	34	-2.0	-126.28	285.32	3.15	-123.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300005662473	1	33	-3.0	-189.12	281.75	3.91	-185.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H](O)C1=CC=CC=C1)C2	REAL300005662474	0	38	-2.0	-128.18	310.92	6.62	-121.56
CC1=CC=C(F)C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662475	0	40	-2.0	-140.40	340.53	9.25	-131.15
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CN1CCOCC1)C2	REAL300005662479	0	50	-2.0	-134.48	390.25	7.03	-127.45
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CC1=CC(C(F)(F)F)=NN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662483	0	40	-2.0	-124.88	356.59	7.72	-117.16
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CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CNC2=CC=CC=C12	REAL300005662485	0	47	-2.0	-131.48	379.63	10.31	-121.17
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CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662488	0	54	-2.0	-130.43	408.21	10.04	-120.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC(OCC3=CC=CC=C3)C1)C2	REAL300005662489	0	48	-2.0	-131.23	394.37	9.80	-121.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCN1CC1=CC=CC=C1)C2	REAL300005662490	1	52	-2.0	-138.57	401.81	9.56	-129.01
CC(OC1=CC=CC(CO)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662491	0	45	-2.0	-134.08	364.95	6.54	-127.54
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=NC=C1	REAL300005662492	0	43	-2.0	-131.53	350.01	7.65	-123.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC=C1C1=CC=CC=C1F)C2	REAL300005662493	0	42	-2.0	-142.94	351.60	9.34	-133.60
CN1C=C(C2=NNC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662494	0	41	-2.0	-132.35	346.57	5.64	-126.71
CN1C=C(C2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005662494	1	41	-2.0	-139.44	342.34	5.57	-133.87
CCN1C=C(C2=NNC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662495	0	44	-2.0	-132.47	368.09	6.53	-125.94
CCN1C=C(C2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN2)C=N1	REAL300005662495	1	44	-2.0	-139.63	363.86	6.43	-133.20
CN1C=C(C2=NN(C)C=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662496	0	44	-2.0	-137.45	361.94	6.95	-130.50
CCN1C=C(C2=NN(C)C=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662497	0	47	-2.0	-137.73	383.40	7.83	-129.90
CCN1C=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662498	0	40	-2.0	-135.09	334.57	7.60	-127.49
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CN(C)C2=CC=CC=C12	REAL300005662499	0	47	-2.0	-136.62	386.66	11.14	-125.48
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(C2=CC(C)=CC=C2)=N1	REAL300005662501	0	47	-2.0	-127.66	380.96	10.08	-117.58
CC1=NC2=CC=CC=C2N1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662502	0	43	-2.0	-128.85	361.40	9.71	-119.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3OC(F)(F)OC3=C1)C2	REAL300005662503	0	40	-2.0	-127.83	353.06	7.99	-119.84
NS(=O)(=O)N1CCCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662504	0	44	-2.0	-140.59	356.76	1.83	-138.76
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662505	0	48	-2.0	-144.05	386.47	4.88	-139.17
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1OCCC2=C1C=CS2	REAL300005662506	0	45	-2.0	-131.21	367.17	8.66	-122.55
NC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(N2CCOCC2)=N1	REAL300005662507	0	46	-2.0	-128.00	376.12	7.07	-120.93
CC1=CN2C=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=N1	REAL300005662508	0	40	-2.0	-139.71	338.54	9.27	-130.44
CCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662509	0	36	-2.0	-129.65	304.92	5.35	-124.30
CNC1=CC=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662510	0	39	-2.0	-130.61	332.80	7.20	-123.41
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(CO)=NO1	REAL300005662511	0	37	-2.0	-127.62	319.20	3.67	-123.95
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CN1C	REAL300005662512	0	41	-2.0	-138.85	325.41	8.64	-130.21
CN1C=C(C2=NC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662513	0	43	-2.0	-135.90	357.54	7.25	-128.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(CN3CCCC3)=C1)C2	REAL300005662514	0	45	-2.0	-130.92	363.38	6.38	-124.54
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCSCC1	REAL300005662516	0	39	-2.0	-121.89	317.75	7.27	-114.62
CC(C)(C)CC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662517	0	49	-2.0	-136.51	367.13	11.00	-125.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=C4OCOC4=C3)CC1)C2	REAL300005662518	0	44	-2.0	-139.35	364.77	8.20	-131.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@]13C[C@H]1COC31CCC1)C2	REAL300005662519	0	43	-2.0	-132.39	330.54	7.55	-124.84
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC2(CC1)OCCO2	REAL300005662520	0	49	-2.0	-134.82	358.61	7.16	-127.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=C1C(=O)CCC3)C2	REAL300005662521	0	40	-2.0	-144.34	324.59	9.11	-135.23
CC(C)CC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662522	0	50	-2.0	-131.40	400.52	12.10	-119.30
CS(=O)(=O)NC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662523	0	45	-2.0	-135.62	387.52	5.58	-130.04
CC1=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)S1	REAL300005662524	0	39	-2.0	-127.93	339.68	7.29	-120.64
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(=O)N1	REAL300005662525	0	37	-2.0	-131.97	318.66	5.77	-126.20
COC1=CC=C(C2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CO2)C=C1	REAL300005662526	0	44	-2.0	-135.84	367.08	6.56	-129.28
CNC1=NC(C)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662527	0	41	-2.0	-132.72	332.55	6.87	-125.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCC(CC1)C3)C2	REAL300005662528	0	41	-2.0	-132.92	311.14	8.06	-124.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CN(CC3=CC=CC=C3)CCO1)C2	REAL300005662529	0	50	-2.0	-136.15	391.67	7.70	-128.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1C1=CC=CC=C1)C2	REAL300005662530	0	41	-2.0	-131.89	337.00	8.78	-123.11
COC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1O	REAL300005662531	0	46	-2.0	-129.72	382.93	5.89	-123.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)(F)F)CCC1)C2	REAL300005662532	0	37	-2.0	-129.23	302.98	7.54	-121.69
COCCS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662533	0	40	-2.0	-135.47	350.10	2.89	-132.58
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OCCO	REAL300005662534	0	46	-2.0	-131.77	371.28	4.82	-126.95
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=C2NC=NC2=NC=N1	REAL300005662535	0	43	-2.0	-136.46	351.77	7.74	-128.72
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=C2N=CNC2=NC=N1	REAL300005662535	1	43	-2.0	-136.43	353.25	7.90	-128.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=CC=N1)C2	REAL300005662536	0	42	-2.0	-136.02	347.29	8.75	-127.27
CC(C)NC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662537	0	44	-2.0	-125.59	353.16	7.11	-118.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCCC3)C(F)=C1)C2	REAL300005662538	0	46	-2.0	-128.21	359.70	8.13	-120.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(N3CCOCC3)C(F)=C1)C2	REAL300005662539	0	47	-2.0	-129.91	373.26	6.87	-123.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=CC=C1N1CCOCC1)C2	REAL300005662540	0	47	-2.0	-132.85	376.62	7.55	-125.30
COC1=CC=CC(C(O)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662541	0	42	-2.0	-130.96	338.85	5.88	-125.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=C(F)C=C3)CC1)C2	REAL300005662542	0	44	-2.0	-132.55	367.90	10.74	-121.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CO)CCOCC1)C2	REAL300005662543	0	42	-2.0	-133.90	314.71	2.67	-131.23
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005662544	0	39	-2.0	-131.45	327.14	6.58	-124.87
COCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005662545	0	37	-2.0	-131.70	321.78	4.22	-127.48
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCCC1	REAL300005662546	0	49	-2.0	-131.65	350.17	8.91	-122.74
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005662547	0	44	-2.0	-138.64	338.21	6.90	-131.74
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005662548	0	45	-2.0	-132.64	336.76	5.09	-127.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=NNN=C3C=C1)C2	REAL300005662549	0	35	-2.0	-135.04	298.62	5.28	-129.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3CCCC3=C1)C2	REAL300005662550	0	38	-2.0	-141.28	310.74	6.96	-134.32
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005662551	0	36	-2.0	-130.80	309.61	5.89	-124.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=CC=C1Cl)C2	REAL300005662552	0	43	-2.0	-133.20	365.68	10.90	-122.30
CC(C)(C)N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662553	0	42	-2.0	-136.72	347.09	6.65	-130.07
CC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662554	0	36	-2.0	-123.99	316.67	6.65	-117.34
CC1=CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC2=C1	REAL300005662555	0	41	-2.0	-132.70	342.67	10.40	-122.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1C1=CNN=C1)C2	REAL300005662556	0	41	-2.0	-139.96	339.70	7.79	-132.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CNC=N1)C2	REAL300005662557	0	37	-2.0	-133.37	310.92	7.28	-126.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CN=CN1)C2	REAL300005662557	1	37	-2.0	-132.62	310.98	7.26	-125.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1OC1CC1)C2	REAL300005662558	0	42	-2.0	-144.22	341.80	9.72	-134.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OC(F)F)=C1)C2	REAL300005662559	0	37	-2.0	-129.09	317.91	5.22	-123.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=CC=CN=C3S1)C2	REAL300005662561	0	35	-2.0	-133.07	308.98	5.46	-127.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300005662562	0	37	-2.0	-136.23	322.59	6.89	-129.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=NC=CN3N=C1)C2	REAL300005662563	0	36	-2.0	-133.96	300.59	5.70	-128.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3CCOC3=C1)C2	REAL300005662564	0	36	-2.0	-133.83	302.53	4.12	-129.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NNN=C3N=C1)C2	REAL300005662565	0	35	-2.0	-127.75	293.07	4.24	-123.51
CCC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662566	0	39	-2.0	-139.75	318.71	8.21	-131.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CC=NN3N=C1)C2	REAL300005662567	0	36	-2.0	-141.15	303.13	5.77	-135.38
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300005662568	0	41	-2.0	-138.60	342.60	9.61	-128.99
COC1=CC=C2CCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005662569	0	45	-2.0	-143.77	365.48	9.05	-134.72
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005662570	0	37	-2.0	-132.53	314.99	6.35	-126.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3CCCCC3)=N1)C2	REAL300005662571	0	46	-2.0	-138.29	372.83	9.50	-128.79
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(C2CCCCC2)=N1	REAL300005662572	0	49	-2.0	-125.07	394.40	9.25	-115.82
COC1=CC=C2ON=C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005662573	0	43	-2.0	-142.18	366.60	7.16	-135.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(O)C1=CC=C(Cl)C=C1)C2	REAL300005662574	0	41	-2.0	-127.16	358.47	7.93	-119.23
CC1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005662575	0	48	-2.0	-131.27	376.72	9.25	-122.02
COCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662576	0	40	-2.0	-135.15	342.15	4.62	-130.53
CCC(C)(C)OCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662577	0	43	-2.0	-130.94	335.89	8.09	-122.85
COC1=CC=CC(N2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)=C1	REAL300005662578	0	44	-2.0	-138.43	369.15	7.37	-131.06
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300005662579	0	46	-2.0	-132.44	372.18	11.58	-120.86
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005662580	0	46	-2.0	-130.62	356.43	8.32	-122.30
CC(O)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005662581	0	41	-2.0	-127.00	343.70	7.04	-119.96
CNC1=NC=NC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005662582	0	43	-2.0	-138.59	353.39	8.04	-130.55
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCSCC1	REAL300005662583	0	43	-2.0	-126.51	335.44	6.33	-120.18
CC(C)CC1=CC=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662584	0	55	-2.0	-130.96	434.30	13.22	-117.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NCC3CC3)N=C1)C2	REAL300005662585	0	45	-2.0	-125.14	365.71	7.99	-117.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300005662586	0	41	-3.0	-215.82	357.07	7.68	-208.14
CC(C)(C)SC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662587	0	46	-2.0	-127.63	370.59	10.11	-117.52
COC1=CC=C(COCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662588	0	51	-2.0	-129.50	419.88	9.05	-120.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(C3=NC=CN3)=C1)C2	REAL300005662590	0	40	-2.0	-133.05	335.13	6.46	-126.59
CN(CCC1=CC=CC=C1)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662591	1	48	-2.0	-130.00	383.07	8.82	-121.18
CC1=CN(C2CCOCC2)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662593	0	48	-2.0	-136.20	378.96	7.70	-128.50
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CC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005662596	0	37	-2.0	-128.33	304.13	6.37	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC=CN3C=CN=C13)C2	REAL300005662598	0	36	-2.0	-142.11	309.45	7.62	-134.49
COCCOCCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CN1	REAL300005662599	0	48	-2.0	-139.24	398.91	5.89	-133.35
COCCOCCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005662599	1	48	-2.0	-128.64	394.30	5.71	-122.93
CC1=NC(C2CC2)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662600	0	43	-2.0	-127.95	345.30	8.67	-119.28
CC1=NN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662601	0	37	-2.0	-143.44	315.85	6.53	-136.91
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005662602	0	41	-2.0	-140.66	321.91	7.61	-133.05
CCC(C#N)(CC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662603	0	40	-2.0	-124.01	315.88	7.07	-116.94
CC1CC(C#N)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662604	0	38	-2.0	-138.91	316.00	7.62	-131.29
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2(CC2)C1	REAL300005662605	0	39	-2.0	-138.46	327.35	8.28	-130.18
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCOC1	REAL300005662606	0	39	-2.0	-124.75	313.48	5.30	-119.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1N1CCOCC1)C2	REAL300005662607	0	46	-2.0	-129.88	367.62	6.57	-123.31
NS(=O)(=O)N1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662608	0	44	-2.0	-129.01	358.90	2.11	-126.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCNS(=O)(=O)C1=CC=CN=C1)C2	REAL300005662609	0	44	-2.0	-135.51	381.33	3.51	-132.00
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662610	0	37	-2.0	-127.30	306.81	4.52	-122.78
CNC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662611	0	38	-2.0	-126.03	312.67	5.63	-120.40
CN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662612	0	41	-2.0	-126.67	332.56	7.61	-119.06
CCCC1=NNC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662613	0	40	-2.0	-128.49	323.41	6.29	-122.20
CCC1=NNC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662614	0	37	-2.0	-127.39	299.87	5.53	-121.86
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005662615	0	46	-2.0	-136.49	370.36	9.94	-126.55
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005662616	0	49	-2.0	-136.11	381.29	10.33	-125.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC3=C1CCC3)C2	REAL300005662617	0	38	-2.0	-136.92	310.60	6.72	-130.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCN1CC1=CC=NC=C1)C2	REAL300005662618	0	51	-2.0	-136.06	397.88	7.57	-128.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCN1CC1=CC=CN=C1)C2	REAL300005662619	0	51	-2.0	-135.39	397.81	7.47	-127.92
CC1=NNC(C)=C1C(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662620	0	43	-2.0	-133.50	336.23	6.56	-126.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC1=CC=CC=N1)C2	REAL300005662622	0	38	-2.0	-130.48	317.89	6.31	-124.17
COC1=CC(C)=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662623	0	40	-2.0	-140.89	328.02	8.15	-132.74
CC(C)(C)C1=CN=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662624	0	48	-2.0	-131.39	390.10	7.20	-124.19
CSC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662625	0	41	-2.0	-136.51	351.65	9.64	-126.87
CCC1=NN(C)C(CC)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662626	0	49	-2.0	-135.51	390.61	9.10	-126.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC1CCCC1)C2	REAL300005662627	0	44	-2.0	-130.87	350.63	9.05	-121.82
CCSC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662628	0	44	-2.0	-131.11	371.89	10.81	-120.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)(F)F)N=CS1)C2	REAL300005662629	0	33	-2.0	-131.31	303.53	5.66	-125.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=CC=CC(O)=C31)C2	REAL300005662630	0	41	-2.0	-139.52	340.05	8.88	-130.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(O)C3=CC=CC=C3C=N1)C2	REAL300005662632	0	40	-2.0	-142.49	331.98	7.78	-134.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300005662632	1	39	-3.0	-222.41	328.33	8.78	-213.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1C1CC1)C2	REAL300005662633	0	40	-2.0	-134.04	327.47	8.39	-125.65
CC1=CC=CC(Cl)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662634	0	40	-2.0	-130.25	341.35	9.86	-120.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3OCCCN3N=C1)C2	REAL300005662635	0	39	-2.0	-138.28	314.76	4.95	-133.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN=CC(O)=C1)C2	REAL300005662636	0	37	-2.0	-128.92	319.33	4.24	-124.68
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC(=O)CC1	REAL300005662637	0	42	-2.0	-128.50	315.29	7.40	-121.10
CCOC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005662638	0	37	-2.0	-133.63	315.86	3.71	-129.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CN=CN3C=C1)C2	REAL300005662639	0	37	-2.0	-134.10	316.78	9.56	-124.54
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005662640	0	38	-2.0	-134.77	331.26	5.02	-129.75
CC1=NN=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662641	0	35	-2.0	-123.64	290.58	5.58	-118.06
CC(C)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662642	0	42	-2.0	-140.23	338.00	8.69	-131.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC(F)F)C=N1)C2	REAL300005662643	0	37	-2.0	-136.40	318.07	6.47	-129.93
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOCC1	REAL300005662644	0	47	-2.0	-130.65	336.91	7.02	-123.63
CCC1=CC=CC=C1N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662645	0	46	-2.0	-136.22	374.09	9.55	-126.67
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662646	0	43	-2.0	-133.50	361.62	8.86	-124.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=COC3=CC(F)=CC=C13)C2	REAL300005662647	0	40	-2.0	-131.43	348.44	9.17	-122.26
CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662648	0	43	-2.0	-136.97	361.75	3.76	-133.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(NCC3=CC=CC=N3)=C1)C2	REAL300005662649	0	48	-2.0	-135.38	390.68	8.51	-126.87
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662650	0	46	-2.0	-137.07	378.84	6.77	-130.30
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662651	0	44	-2.0	-140.89	369.05	8.35	-132.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1CCOC1)C2	REAL300005662652	0	39	-2.0	-130.80	324.39	5.60	-125.20
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCSC1	REAL300005662653	1	43	-2.0	-131.58	346.52	6.30	-125.28
CC(C)CN1C=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C21	REAL300005662654	0	50	-2.0	-144.83	396.65	11.70	-133.13
CC1=CC=C(C2=CNC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662655	0	42	-2.0	-138.76	355.35	9.33	-129.43
CC1=CC=CC=C1N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005662656	0	43	-2.0	-135.86	355.25	8.79	-127.07
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C(C)C)O1	REAL300005662657	0	42	-2.0	-135.65	342.43	6.33	-129.32
CC(OCC1=CC=NC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662658	0	43	-2.0	-132.33	354.72	8.09	-124.24
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662659	0	41	-2.0	-134.43	340.43	9.46	-124.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NNN=C1)C2	REAL300005662660	0	36	-2.0	-129.35	305.40	4.80	-124.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CNN=N1)C2	REAL300005662660	1	36	-2.0	-132.88	305.50	4.88	-128.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC(O)CO)N=C1)C2	REAL300005662661	0	42	-2.0	-142.60	346.98	0.93	-141.67
CCC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662662	0	42	-2.0	-137.96	346.58	8.72	-129.24
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=C1CCCC2	REAL300005662663	0	44	-2.0	-139.20	348.44	8.55	-130.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(CO)=N1)C2	REAL300005662664	0	34	-2.0	-138.01	301.50	2.93	-135.08
CCON1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662665	0	49	-2.0	-130.49	375.41	7.29	-123.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C2	REAL300005662666	0	40	-2.0	-134.97	334.80	8.37	-126.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CNN=C1)C2	REAL300005662667	0	37	-2.0	-130.54	311.46	6.22	-124.32
CN(C)C1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662668	0	41	-2.0	-138.97	331.51	7.58	-131.39
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662672	0	51	-2.0	-133.10	395.29	10.38	-122.72
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC12CCCC2	REAL300005662674	0	42	-2.0	-135.77	338.44	9.04	-126.73
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2CCC1CC2	REAL300005662675	0	45	-2.0	-127.43	341.83	8.44	-118.99
CC1=NN(C)C2=NC(C)=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005662676	0	45	-2.0	-127.98	367.01	8.16	-119.82
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC2=NC=CC(C)=C12	REAL300005662677	0	42	-2.0	-136.54	344.14	8.54	-128.00
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005662678	0	40	-2.0	-135.00	320.98	6.73	-128.27
CCCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005662679	0	43	-2.0	-134.21	343.42	7.60	-126.61
CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005662680	0	37	-2.0	-129.22	312.12	6.30	-122.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CNC1=CC=CC(Cl)=C1)C2	REAL300005662681	0	39	-2.0	-127.04	339.82	7.72	-119.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=NC=C1)C2	REAL300005662682	0	40	-2.0	-128.72	329.11	6.05	-122.67
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CC(=O)C1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662685	0	42	-2.0	-132.55	350.73	9.34	-123.21
CN1C=C(S(=O)(=O)NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662686	0	42	-2.0	-133.90	372.09	2.27	-131.63
CN1C=C(C2=CN=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=N1	REAL300005662687	0	43	-2.0	-136.70	354.62	7.30	-129.40
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCC2=CC=CC=C2C1	REAL300005662689	0	49	-2.0	-135.70	373.93	8.30	-127.40
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CC1=CN=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662693	0	42	-2.0	-129.60	347.90	8.61	-120.99
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COC1=CC=C2OC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005662696	0	41	-2.0	-135.50	337.43	7.55	-127.95
CC1=CN=C(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662697	0	40	-2.0	-137.18	342.10	4.91	-132.27
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COC(CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662704	0	44	-2.0	-131.39	350.57	9.26	-122.13
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CCC(CC)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCOCC1	REAL300005662706	0	55	-2.0	-129.68	382.51	7.31	-122.37
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=C4OCCC4=C3)=NO1)C2	REAL300005662711	0	45	-2.0	-132.47	375.99	8.90	-123.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3N=CSC3=CC=C1)C2	REAL300005662713	0	36	-2.0	-142.38	313.98	7.26	-135.12
COCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005662714	0	44	-2.0	-134.77	362.14	6.02	-128.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(OCC3=CC=CC=C3)C=N1)C2	REAL300005662715	0	46	-2.0	-130.27	387.83	7.53	-122.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CSCC(C1)C3=O)C2	REAL300005662716	0	44	-2.0	-129.03	343.88	8.35	-120.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CC=N3)CC1)C2	REAL300005662717	0	40	-2.0	-129.02	337.15	8.02	-121.00
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CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662720	0	47	-2.0	-128.90	359.16	7.88	-121.02
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CN(C)C1=CN=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662724	0	40	-2.0	-133.80	327.60	6.65	-127.15
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CC(C)OC1=CN=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662726	0	42	-2.0	-129.33	348.06	5.40	-123.93
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1CC1=CC=CC=C1	REAL300005662729	0	49	-2.0	-136.65	398.48	9.66	-126.99
NC1=NN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662730	0	35	-2.0	-144.65	304.09	6.95	-137.70
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CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300005662732	0	51	-2.0	-130.14	397.83	7.87	-122.27
CC(C)(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC=N1	REAL300005662734	0	43	-2.0	-125.16	332.70	8.43	-116.73
CCC1=NC=CN1C(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662735	0	46	-2.0	-126.76	368.55	9.43	-117.33
CON1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662736	0	43	-2.0	-125.25	340.38	5.91	-119.34
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CN1CCCC1C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005662740	0	46	-2.0	-132.34	373.17	5.06	-127.28
CN1CCCC1C1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662740	1	46	-2.0	-127.15	365.12	5.25	-121.90
C#CCN1CCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662741	1	41	-2.0	-131.26	327.60	6.16	-125.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(N3C=CN=C3)C=C1)C2	REAL300005662742	0	44	-2.0	-129.30	369.41	11.27	-118.03
CC1=CC=NC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662743	0	39	-2.0	-129.64	326.24	7.44	-122.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC=C3N=C(C(F)(F)F)N=C31)C2	REAL300005662744	0	39	-2.0	-173.08	354.69	5.88	-167.20
CN1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005662745	0	46	-2.0	-142.49	360.15	8.44	-134.05
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662746	0	44	-2.0	-130.19	353.36	6.33	-123.86
CCC1=CNC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662747	0	40	-2.0	-131.25	335.38	6.96	-124.29
CC1CN(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662748	0	43	-2.0	-134.72	333.94	5.12	-129.60
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)NC1=O	REAL300005662749	0	37	-2.0	-147.22	317.93	4.20	-143.02
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(S(N)(=O)=O)=C(C)O1	REAL300005662750	0	42	-2.0	-134.49	364.52	2.77	-131.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(F)(F)F)=CNC1=O)C2	REAL300005662751	0	37	-2.0	-138.87	332.64	6.04	-132.83
CN(C)C1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662752	0	41	-2.0	-137.81	332.86	7.02	-130.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NN3C=CC=NC3=N1)C2	REAL300005662753	0	38	-2.0	-144.80	331.40	8.65	-136.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN1CC1=CC=CC=N1)C2	REAL300005662754	0	48	-2.0	-135.87	373.51	6.91	-128.96
CC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NC2=NN1	REAL300005662755	0	39	-2.0	-129.23	321.39	6.21	-123.02
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662756	0	47	-2.0	-130.57	388.16	7.04	-123.53
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1	REAL300005662756	1	47	-2.0	-134.78	389.43	7.17	-127.61
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCOCC1	REAL300005662757	0	43	-2.0	-128.63	325.22	3.97	-124.66
CC1=NC=CN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662758	0	37	-2.0	-129.37	315.74	7.58	-121.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC3=C1CCCCC3)C2	REAL300005662759	0	44	-2.0	-135.87	339.32	7.67	-128.20
CC(CN1CCOCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662760	1	46	-2.0	-131.79	353.18	4.96	-126.83
CC(C)N1C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662761	0	41	-2.0	-134.09	323.89	8.69	-125.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NC=CC=C3C=C1)C2	REAL300005662762	0	39	-2.0	-138.41	320.58	8.10	-130.31
CC1=CC=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662763	0	36	-2.0	-133.76	298.30	6.26	-127.50
CC1=CN=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662764	0	36	-2.0	-128.38	295.96	6.68	-121.70
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1O	REAL300005662765	0	38	-2.0	-131.56	310.46	5.65	-125.91
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662766	0	36	-2.0	-127.58	296.23	6.64	-120.94
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CC1=NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005662768	0	42	-2.0	-129.32	346.38	8.87	-120.45
COC1=CC(Cl)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662769	0	38	-2.0	-131.14	324.41	7.49	-123.65
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CS1	REAL300005662770	0	34	-2.0	-130.56	286.15	7.47	-123.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NC=NC3=CC=C1)C2	REAL300005662771	0	37	-2.0	-134.04	308.69	7.49	-126.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3N=CNC3=CC=C1)C2	REAL300005662771	1	37	-2.0	-149.06	308.72	7.50	-141.56
CC1=NC(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)=CS1	REAL300005662772	0	43	-2.0	-137.48	366.59	9.13	-128.35
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)O1	REAL300005662773	0	36	-2.0	-135.24	300.12	4.98	-130.26
COC1=CC=CC(C2=NNC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)=C1	REAL300005662774	0	45	-2.0	-129.11	370.85	7.60	-121.51
COC1=CC=CC(C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN2)=C1	REAL300005662774	1	45	-2.0	-136.88	371.86	7.59	-129.29
CC1CCN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662775	1	45	-2.0	-129.88	346.46	6.97	-122.91
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CCCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005662778	0	39	-2.0	-134.03	324.96	7.97	-126.06
CC1=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005662779	0	39	-2.0	-129.54	335.58	7.48	-122.06
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662780	0	47	-2.0	-128.20	381.16	10.80	-117.40
CC1=CC=C2SC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005662781	0	40	-2.0	-134.03	340.81	9.89	-124.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=C(F)C=C1F)C2	REAL300005662782	0	40	-2.0	-124.71	346.71	9.80	-114.91
CC1=CC=CC(C)=C1NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662783	0	45	-2.0	-130.35	358.68	8.54	-121.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3CCC3)C=C1)C2	REAL300005662784	0	45	-2.0	-134.31	360.27	9.32	-124.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CNN=C3C1)C2	REAL300005662785	0	41	-2.0	-133.97	330.36	6.71	-127.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(NC3CC3)S1)C2	REAL300005662786	0	39	-2.0	-126.57	340.73	6.42	-120.15
CCN1CCOC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662787	0	43	-2.0	-130.34	335.29	5.33	-125.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCOC1=CC=CN=C1)C2	REAL300005662788	0	43	-2.0	-133.51	356.46	7.56	-125.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=C3)=NS1)C2	REAL300005662789	0	40	-2.0	-125.92	349.44	8.78	-117.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCSC3=CC=CC=C31)C2	REAL300005662790	0	42	-2.0	-133.84	350.35	9.90	-123.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662791	0	47	-3.0	-217.02	376.59	8.85	-208.17
C[C@H](CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662792	0	43	-2.0	-128.21	345.02	9.98	-118.23
C=CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662793	0	44	-2.0	-129.83	359.91	10.59	-119.24
CC(O)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662794	0	44	-2.0	-131.69	351.68	7.95	-123.74
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662795	0	43	-2.0	-129.87	351.97	9.56	-120.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NSC3=CC=CC=C31)C2	REAL300005662796	0	39	-2.0	-133.48	344.20	8.88	-124.60
CCC(O)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005662797	0	47	-2.0	-128.83	367.50	8.61	-120.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CC4CC(CC(F)(C4)C1)C3)C2	REAL300005662798	0	48	-2.0	-130.85	345.22	9.65	-121.20
CCCC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CCC	REAL300005662799	0	46	-2.0	-128.11	365.91	10.03	-118.08
CC(C)(C)C1CCC(=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662800	0	53	-2.0	-132.72	390.51	10.53	-122.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNN=C1C1=CC=CC=C1)C2	REAL300005662801	0	40	-2.0	-130.38	333.26	6.97	-123.41
CC1=NSC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662802	0	36	-2.0	-129.55	314.52	6.99	-122.56
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005662803	0	43	-2.0	-130.94	352.28	7.98	-122.96
CC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC1=O	REAL300005662804	0	42	-2.0	-124.50	329.67	7.92	-116.58
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=C1CCC2	REAL300005662805	0	44	-2.0	-133.19	348.18	10.37	-122.82
CC1CC(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662806	0	46	-2.0	-129.06	352.69	9.60	-119.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC(F)=CC(F)=C1)C2	REAL300005662807	0	38	-2.0	-128.38	331.95	9.00	-119.38
CN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300005662808	0	41	-2.0	-136.78	329.91	7.33	-129.45
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662809	0	46	-2.0	-128.83	345.25	9.26	-119.57
COC1=CC(CO)=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662810	0	42	-2.0	-138.80	343.98	5.12	-133.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C[C@@H]1CCCC[C@H]1O)C2	REAL300005662811	0	44	-2.0	-133.27	343.90	5.74	-127.53
CC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1O	REAL300005662812	0	40	-2.0	-134.20	328.79	6.72	-127.48
CCSCC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662813	0	44	-2.0	-134.65	365.99	10.54	-124.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CC3=C1OCO3)C2	REAL300005662814	0	43	-2.0	-135.26	357.68	8.40	-126.86
CC1(C)CCCC(O)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662815	0	47	-2.0	-134.90	349.19	6.94	-127.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(CCN3C=CC=N3)C=C1)C2	REAL300005662816	0	44	-2.0	-142.08	371.56	8.04	-134.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1CC(F)F)C2	REAL300005662817	0	37	-2.0	-124.12	313.20	6.70	-117.42
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662818	0	47	-2.0	-141.60	362.22	6.28	-135.32
CC1=CC(=O)N(CC(C)(O)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662819	0	47	-2.0	-142.70	372.86	6.18	-136.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(NC3=CC=CC=C3)SC=N1)C2	REAL300005662820	0	42	-2.0	-137.02	356.78	8.47	-128.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3C=CN=N3)C=C1)C2	REAL300005662821	0	43	-2.0	-141.80	360.75	7.82	-133.98
NS(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662822	0	38	-2.0	-129.94	329.72	0.87	-129.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=C3CCCCC3=NN1)C2	REAL300005662823	0	44	-2.0	-127.99	356.08	7.59	-120.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=NNC=C31)C2	REAL300005662824	0	41	-2.0	-135.97	329.99	6.83	-129.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=C1C=NN3)C2	REAL300005662824	1	41	-2.0	-143.28	332.16	6.65	-136.63
CN1C=CN=C1CN1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662825	0	52	-2.0	-136.52	404.35	7.65	-128.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NCCN3C=CN=C3)C=C1)C2	REAL300005662827	0	49	-2.0	-141.67	400.68	9.88	-131.79
CC1=CN=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662828	0	39	-2.0	-129.47	326.24	7.44	-122.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCOCC1)C2	REAL300005662829	0	41	-2.0	-124.74	315.74	6.33	-118.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(O)COCC1=CC=CC=C1)C2	REAL300005662830	0	48	-2.0	-136.75	396.99	7.65	-129.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN=CC3=CC=CC=C31)C2	REAL300005662831	0	42	-2.0	-134.86	352.09	9.09	-125.77
CN1C=NC2=CN=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C21	REAL300005662832	0	39	-2.0	-134.44	319.80	7.23	-127.21
CSC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)O1	REAL300005662834	0	38	-2.0	-130.64	324.97	7.90	-122.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN1C1=NC=CC=N1)C2	REAL300005662835	0	44	-2.0	-140.79	359.49	8.14	-132.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CNC=N1)C2	REAL300005662836	0	38	-2.0	-141.42	318.64	7.87	-133.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CN=CN1)C2	REAL300005662836	1	38	-2.0	-134.04	319.58	7.85	-126.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NN3C=CN=C3)C=C1)C2	REAL300005662837	0	43	-2.0	-135.82	355.23	9.01	-126.81
NC1=NN=NN1C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662838	0	41	-2.0	-136.64	340.38	7.66	-128.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3SC=CC3=CC=N1)C2	REAL300005662839	0	36	-2.0	-137.71	313.39	8.30	-129.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3COCCN13)C2	REAL300005662840	0	39	-2.0	-128.86	315.50	5.46	-123.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=C3CCCCN3N=C1)C2	REAL300005662841	0	44	-2.0	-139.39	357.43	7.94	-131.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=NC3=CC=CC=C3C=C1)C2	REAL300005662842	0	43	-2.0	-137.07	363.14	10.03	-127.04
COC1=CC=C([C@]2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C[C@H](O)C2)C=C1	REAL300005662843	0	49	-2.0	-133.41	384.21	5.96	-127.45
CC1=CN(C(C)(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662844	0	43	-2.0	-128.31	333.79	8.30	-120.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CN1)C2	REAL300005662845	0	36	-2.0	-132.92	304.34	7.30	-125.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3CCCCCN13)C2	REAL300005662847	0	44	-2.0	-134.27	334.55	8.15	-126.12
CN1CC(O)CC1(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662848	1	43	-2.0	-132.91	329.18	3.91	-129.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN([C@@H]3CC[C@H]3O)N=N1)C2	REAL300005662850	0	41	-2.0	-137.35	340.62	3.33	-134.02
COC1=CC(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662851	0	44	-2.0	-134.27	371.78	6.09	-128.18
COC1=CC=C(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662852	0	44	-2.0	-129.47	374.97	6.00	-123.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC1=CC(=O)NC=C1)C2	REAL300005662853	0	41	-2.0	-143.43	350.48	6.32	-137.11
CC1CCC2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN2C1	REAL300005662854	0	44	-2.0	-141.90	349.33	9.30	-132.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1C1=CC=NC=C1)C2	REAL300005662855	0	43	-2.0	-133.85	355.78	9.58	-124.27
CC(C)(CN1CCOCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662856	1	49	-2.0	-131.23	360.69	5.45	-125.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@]1(C3=CC=CC=C3)C[C@@H](O)C1)C2	REAL300005662857	0	45	-2.0	-137.77	355.21	7.27	-130.50
COC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005662858	0	40	-2.0	-129.63	324.87	6.04	-123.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC3=CN=CC=C31)C2	REAL300005662859	0	42	-2.0	-137.04	351.99	9.10	-127.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3CCOCC3=N1)C2	REAL300005662860	0	39	-2.0	-138.57	321.68	6.38	-132.19
CC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)OC2=C(F)C=C1	REAL300005662862	0	40	-2.0	-135.63	341.05	9.35	-126.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C2	REAL300005662863	0	38	-2.0	-129.69	326.25	7.33	-122.36
CC1=C(C)N2N=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C=C1	REAL300005662864	0	43	-2.0	-140.96	346.33	8.65	-132.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCOC1)C2	REAL300005662865	0	41	-2.0	-127.19	324.29	6.79	-120.40
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662866	0	48	-2.0	-129.02	391.13	9.51	-119.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCSCC1=CC=CC=N1)C2	REAL300005662867	0	43	-2.0	-132.71	371.30	9.28	-123.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(N3C=CN=C3)=C1)C2	REAL300005662868	0	40	-2.0	-127.02	332.70	9.49	-117.53
CNS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662869	0	35	-2.0	-136.95	306.62	1.40	-135.55
CC(C)(C)NS(=O)(=O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662870	0	44	-2.0	-136.01	354.13	3.73	-132.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3NC=CC=C13)C2	REAL300005662871	0	37	-2.0	-152.98	309.38	7.14	-145.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(NC3CC3)N=C1)C2	REAL300005662872	0	42	-2.0	-130.40	343.57	7.21	-123.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3=CN=CO3)=C1)C2	REAL300005662874	0	40	-2.0	-134.46	333.90	6.15	-128.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(O)=CC(Br)=C1)C2	REAL300005662875	0	35	-2.0	-127.60	311.65	5.52	-122.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(N3C=CN=C3)=C1)C2	REAL300005662876	0	41	-2.0	-131.81	335.27	10.13	-121.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC=C1C(F)(F)F)C2	REAL300005662877	0	36	-2.0	-132.33	310.98	7.01	-125.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CNC=N3)C=C1)C2	REAL300005662878	0	41	-2.0	-137.03	340.62	8.90	-128.13
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=NC2=CC=CC=C21	REAL300005662879	0	43	-2.0	-125.68	356.38	9.58	-116.10
COC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662880	0	36	-2.0	-125.85	301.34	2.46	-123.39
CC1=CC(=O)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CN1	REAL300005662881	0	37	-2.0	-163.23	315.02	6.36	-156.87
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CN1N=C2C=CC=CC2=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662887	0	40	-2.0	-132.63	337.16	8.06	-124.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(CN3C=CN=C3)=C1)C2	REAL300005662888	0	44	-2.0	-134.97	362.62	11.00	-123.97
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CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCO1	REAL300005662893	0	41	-2.0	-130.89	307.34	6.91	-123.98
CC1=CC=C(O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662894	0	38	-2.0	-134.08	315.81	5.33	-128.75
CC1=NC2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2N1	REAL300005662895	0	40	-2.0	-134.46	330.69	7.34	-127.12
CC1=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C2N1	REAL300005662895	1	40	-2.0	-151.48	330.46	7.25	-144.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=CC=NN3C=C1)C2	REAL300005662896	0	36	-2.0	-132.49	306.26	7.62	-124.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CN=CC=N1)C2	REAL300005662897	0	38	-2.0	-130.63	320.59	6.11	-124.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCN1C=NC=N1)C2	REAL300005662898	0	39	-2.0	-138.90	328.86	9.16	-129.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=NC=C3C=C1)C2	REAL300005662899	0	39	-2.0	-131.95	324.55	8.34	-123.61
CN1CCC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005662900	0	43	-2.0	-131.35	339.04	7.51	-123.84
CCC(C)OC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662901	0	47	-2.0	-134.41	372.24	9.39	-125.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1CCOCC1)C2	REAL300005662902	0	42	-2.0	-123.26	324.78	4.62	-118.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3CCCCC31)C2	REAL300005662903	0	50	-2.0	-134.88	365.25	10.49	-124.39
C=CCSC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662904	0	42	-2.0	-138.06	354.63	10.20	-127.86
CS(=O)C1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662905	0	42	-2.0	-139.82	362.43	7.55	-132.27
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300005662906	0	43	-2.0	-134.67	352.91	10.11	-124.56
C#CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCC1	REAL300005662907	0	45	-2.0	-130.32	341.65	9.08	-121.24
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCC(O)CC1	REAL300005662908	0	50	-2.0	-131.63	361.31	5.98	-125.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(C3CCCCC3)=N1)C2	REAL300005662909	0	46	-2.0	-134.91	366.08	7.41	-127.50
CC(C)(C)C1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005662910	0	46	-2.0	-128.72	352.57	9.06	-119.66
CC(O)(CCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662911	0	47	-2.0	-132.22	372.75	7.95	-124.27
COC1CCCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662912	0	44	-2.0	-131.87	346.68	7.09	-124.78
CC(C)(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662913	0	44	-2.0	-124.48	356.02	7.69	-116.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1N1C=CN=N1)C2	REAL300005662914	0	40	-2.0	-158.88	333.79	7.78	-151.10
CCOC1=CN=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662915	0	39	-2.0	-129.05	327.93	4.47	-124.58
CCN1N=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662916	0	39	-2.0	-129.63	323.24	5.95	-123.68
COCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662917	0	37	-2.0	-125.42	327.16	4.41	-121.01
CC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662918	0	40	-2.0	-128.65	343.72	9.63	-119.02
CC(C)(C)SCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662919	0	46	-2.0	-130.79	372.77	9.96	-120.83
COC1CCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005662920	0	47	-2.0	-130.76	362.50	8.21	-122.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C[C@H]1CCCC[C@@H]1O)C2	REAL300005662921	0	44	-2.0	-130.05	343.91	5.74	-124.31
CS(=O)C1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662922	0	42	-2.0	-138.14	358.02	7.12	-131.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300005662923	0	34	-3.0	-187.78	307.82	6.23	-181.55
CC1=NC(N)=NC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662924	0	40	-2.0	-131.82	337.91	6.13	-125.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(O)CCSCC1)C2	REAL300005662925	0	39	-2.0	-130.20	311.67	5.41	-124.79
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(=O)N1	REAL300005662926	0	43	-2.0	-137.15	355.30	7.04	-130.11
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005662927	0	43	-2.0	-133.11	357.63	10.05	-123.06
CC(C)OC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662928	0	43	-2.0	-140.15	350.49	7.20	-132.95
CC1=C(CO)C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662929	0	38	-2.0	-134.84	320.40	4.46	-130.38
CC1=CC=CC2=C1OC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)C2	REAL300005662930	0	42	-2.0	-136.45	343.87	9.74	-126.71
NS(=O)(=O)CCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662931	0	44	-2.0	-141.10	371.42	3.32	-137.78
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCC2=CC=CC=C2C1	REAL300005662932	0	47	-2.0	-132.83	356.52	10.48	-122.35
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCC3)N1)C2	REAL300005662933	0	39	-2.0	-130.54	311.58	7.96	-122.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CNC=N1)C2	REAL300005662934	0	35	-2.0	-139.97	301.07	7.15	-132.82
CC(C)OC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=N1	REAL300005662935	0	43	-2.0	-129.59	348.71	6.39	-123.20
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CS1	REAL300005662936	0	39	-2.0	-135.32	327.21	7.80	-127.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=C1CCSCC1)C2	REAL300005662937	0	39	-2.0	-128.79	319.19	8.67	-120.12
CC(C)N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005662938	0	40	-2.0	-133.16	323.39	6.90	-126.26
COC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005662939	0	42	-2.0	-125.68	316.39	4.86	-120.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=NNC=C3C1)C2	REAL300005662940	0	41	-2.0	-135.09	328.32	6.31	-128.78
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(=O)NC1=O	REAL300005662941	0	38	-2.0	-123.50	318.03	3.79	-119.71
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005662941	1	37	-3.0	-188.70	318.52	1.78	-186.92
CCCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005662942	0	39	-2.0	-132.53	330.60	5.50	-127.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CC3)S1)C2	REAL300005662943	0	38	-2.0	-129.91	323.17	9.25	-120.66
CCCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Cl	REAL300005662944	0	43	-2.0	-126.61	356.28	10.32	-116.29
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1C	REAL300005662945	0	40	-2.0	-129.23	336.46	9.43	-119.80
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCCC1	REAL300005662946	0	52	-2.0	-128.55	372.81	10.56	-117.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3CCC3)=C1)C2	REAL300005662947	0	44	-2.0	-130.66	345.05	10.33	-120.33
CC1CCC(C)(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1(C)C	REAL300005662948	0	53	-2.0	-130.61	389.63	10.82	-119.79
CN1C=NC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662949	0	37	-2.0	-134.86	313.48	7.63	-127.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3NC=CC=C3N=C1)C2	REAL300005662950	0	37	-2.0	-148.31	305.95	6.05	-142.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CSC=C1)C2	REAL300005662951	0	35	-2.0	-130.37	309.95	7.84	-122.53
CCCC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005662952	0	42	-2.0	-130.09	343.31	5.80	-124.29
CCN1C=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662954	0	37	-2.0	-138.85	309.71	8.76	-130.09
CC(OC1=CC=CC=N1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662955	0	40	-2.0	-133.56	331.33	6.93	-126.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C3COCC3=C1)C2	REAL300005662956	0	42	-2.0	-131.55	346.18	8.25	-123.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(NC3=CC=CC=C3)CC1)C2	REAL300005662957	0	43	-2.0	-129.26	351.53	8.41	-120.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CO)C(F)=C1)C2	REAL300005662958	0	38	-2.0	-129.48	315.94	5.30	-124.18
CCCCS(=O)(=O)NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662959	0	44	-2.0	-131.98	371.16	3.89	-128.09
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005662960	0	38	-2.0	-133.38	317.29	4.74	-128.64
CN1N=NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C21	REAL300005662961	0	39	-2.0	-126.21	329.44	6.58	-119.63
CC1=C(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300005662962	0	43	-2.0	-131.48	361.88	10.19	-121.29
CNC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005662964	0	39	-2.0	-132.77	319.70	6.64	-126.13
CC(OCC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662965	0	44	-2.0	-127.38	365.58	9.85	-117.53
CC(C)C1=CC=C2OC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300005662966	0	46	-2.0	-132.88	368.12	10.19	-122.69
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)OC(CC2CC2)=N1	REAL300005662967	0	43	-2.0	-131.18	353.41	6.58	-124.60
CCOCC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005662968	0	43	-2.0	-126.68	361.09	6.44	-120.24
C=C(C)C(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)OCC	REAL300005662969	0	44	-2.0	-132.15	357.29	8.68	-123.47
CC1=NC2=CC=CC=C2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662970	0	42	-2.0	-128.74	346.26	8.52	-120.22
CC(C)(C)OC1=CC=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005662971	0	52	-2.0	-129.60	409.73	9.94	-119.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN1C1=CC=CC=C1)C2	REAL300005662972	0	46	-2.0	-137.57	364.20	8.88	-128.69
CC1=NSC(NC2CC2)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662973	0	42	-2.0	-129.28	361.05	6.90	-122.38
CCN1N=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)N=C21	REAL300005662974	0	45	-2.0	-134.30	368.99	8.09	-126.21
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CCC2=CC=CC=C21	REAL300005662985	0	46	-2.0	-135.42	349.75	8.26	-127.16
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CCN(CC)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005662995	0	48	-2.0	-137.24	377.21	10.03	-127.21
CN(C)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005662996	0	42	-2.0	-132.52	330.56	8.14	-124.38
CNC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005662997	0	39	-2.0	-132.13	314.51	6.86	-125.27
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CC(OCCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663026	0	47	-2.0	-126.89	380.61	10.55	-116.34
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CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005663028	0	42	-2.0	-129.42	344.58	8.10	-121.32
CN1C=NC=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663029	0	40	-2.0	-132.95	332.15	8.87	-124.08
CC(C)CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005663030	0	49	-2.0	-130.05	353.87	9.19	-120.86
CC1(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005663031	0	45	-2.0	-129.52	351.05	7.38	-122.14
CS(=O)(=O)C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663032	0	37	-2.0	-137.09	317.83	3.98	-133.11
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300005663033	0	46	-2.0	-128.43	352.17	7.90	-120.53
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005663034	0	45	-2.0	-129.71	359.04	8.64	-121.07
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CC1=CC(F)=CC(N2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)=C1	REAL300005663036	0	43	-2.0	-133.16	367.49	8.80	-124.36
COC(C)(C)C1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663037	0	46	-2.0	-129.12	372.43	6.62	-122.50
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300005663040	0	37	-3.0	-185.14	318.15	5.12	-180.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300005663040	1	37	-3.0	-185.13	318.21	5.14	-179.99
COCC(C)C(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663041	0	43	-2.0	-129.51	338.84	6.70	-122.81
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCC(C)CC1	REAL300005663042	0	52	-2.0	-130.55	373.87	10.40	-120.15
COCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005663043	0	48	-2.0	-135.77	386.82	8.65	-127.12
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CC(=O)C1=CN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663046	0	38	-2.0	-140.77	334.65	5.01	-135.76
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CC1=CC2=C(C)C=CN=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663051	0	45	-2.0	-147.69	362.03	9.66	-138.03
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CC(O)C1=CN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663054	0	40	-2.0	-143.94	341.12	2.67	-141.27
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CC1=C(C(C)C)N=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663056	0	45	-2.0	-134.85	382.46	8.34	-126.51
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CCCCCCCCC(O)CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663059	0	58	-2.0	-129.13	453.27	9.72	-119.41
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CN1C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN=C1C1=CC=CC=C1	REAL300005663063	0	46	-2.0	-133.22	381.36	10.28	-122.94
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=NC=C1	REAL300005663065	0	39	-2.0	-129.97	320.17	7.58	-122.39
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663066	0	43	-2.0	-134.56	380.03	8.46	-126.10
CCCOC1=CC=NC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663067	0	45	-2.0	-133.00	379.84	5.97	-127.03
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CN1CCOCC1	REAL300005663068	0	47	-2.0	-131.46	367.09	5.65	-125.81
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=NC=CS1	REAL300005663069	0	39	-2.0	-133.95	323.06	6.59	-127.36
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300005663070	0	42	-2.0	-140.34	341.59	9.03	-131.31
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CCCCNC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663074	0	48	-2.0	-132.98	379.00	9.21	-123.77
CC1=CC=CC=C1NCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663075	0	45	-2.0	-129.84	363.05	8.67	-121.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CCCC(C1)C3=O)C2	REAL300005663076	0	46	-2.0	-135.45	348.05	8.34	-127.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(O)C=C1)C2	REAL300005663077	0	39	-2.0	-132.02	330.33	6.58	-125.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300005663078	0	34	-3.0	-181.31	302.86	6.23	-175.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(O)C(Cl)=C1)C2	REAL300005663078	1	35	-2.0	-128.85	306.42	5.46	-123.39
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(O)C(C(C)C)=C1	REAL300005663079	0	53	-2.0	-135.12	411.20	9.78	-125.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CO)C=C1)C2	REAL300005663080	0	38	-2.0	-135.36	315.32	5.04	-130.32
CCOC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(Cl)=C1O	REAL300005663081	0	42	-2.0	-127.67	357.37	6.35	-121.32
CCOC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005663081	1	41	-3.0	-187.50	353.80	7.28	-180.22
CCC1=NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2N=C1CC	REAL300005663082	0	50	-2.0	-135.88	399.55	8.78	-127.10
COC1=CC=C(Cl)C=C1NCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663083	0	43	-2.0	-129.74	368.22	7.13	-122.61
C#CCN1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663084	1	44	-2.0	-130.79	351.44	6.96	-123.83
COCCOC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663085	0	44	-2.0	-144.23	363.97	5.59	-138.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC3CC3)N=C1)C2	REAL300005663088	0	44	-2.0	-122.95	363.59	6.98	-115.97
CN(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005663091	0	45	-2.0	-129.90	357.54	7.74	-122.16
CCC1=NOC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005663092	0	41	-2.0	-121.76	338.18	5.89	-115.87
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CN=C2)=N1	REAL300005663093	0	43	-2.0	-133.70	351.92	7.28	-126.42
CC(C)C1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CN1	REAL300005663094	0	40	-2.0	-138.85	328.79	7.17	-131.68
CC(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663094	1	40	-2.0	-125.96	324.16	7.00	-118.96
CC(C)C(CC1CCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663096	0	55	-2.0	-134.43	399.29	11.27	-123.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OC3=CC=NC=C3)=C1)C2	REAL300005663097	0	44	-2.0	-130.65	368.83	9.03	-121.62
CC(C)NC1=NC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663098	0	44	-2.0	-135.27	355.87	7.55	-127.72
CC1=NC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005663099	0	39	-2.0	-129.94	337.86	7.48	-122.46
CC(C)C1=NC=CN1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663100	0	46	-2.0	-128.14	373.85	9.36	-118.78
COCC(C)(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663102	0	38	-2.0	-126.32	307.25	3.01	-123.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1(O)CCCCC1)C2	REAL300005663103	0	44	-2.0	-131.92	335.77	7.15	-124.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(NC3=CC=CC=C3)=C1)C2	REAL300005663104	0	46	-2.0	-134.27	371.20	10.09	-124.18
CC1(CCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC(=O)NC1=O	REAL300005663105	0	45	-2.0	-128.81	371.27	3.46	-125.35
CC(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005663106	0	42	-2.0	-129.77	338.09	7.73	-122.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN3C=NC=C3C1)C2	REAL300005663108	0	41	-2.0	-134.94	332.10	8.61	-126.33
CCN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CC1	REAL300005663109	1	42	-2.0	-129.62	326.77	6.39	-123.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=C(Cl)C(F)=C1)C2	REAL300005663110	0	38	-2.0	-129.54	341.71	9.43	-120.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CC3=NN=CN3)C=C1)C2	REAL300005663111	0	43	-2.0	-144.26	359.91	9.24	-135.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CC3=NNC=N3)C=C1)C2	REAL300005663111	1	43	-2.0	-139.70	360.52	8.84	-130.86
NS(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005663112	0	36	-2.0	-133.50	319.49	0.90	-132.60
CNS(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005663113	0	39	-2.0	-130.31	342.06	2.08	-128.23
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005663113	1	38	-3.0	-179.89	339.05	1.63	-178.26
CN1C=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663114	0	37	-2.0	-132.65	315.49	6.64	-126.01
CC(O)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663115	0	37	-2.0	-128.73	321.09	3.23	-125.50
COCC1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663116	0	41	-2.0	-132.48	337.01	5.14	-127.34
CCC1=NN=C(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663117	0	41	-2.0	-122.16	332.56	6.94	-115.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=NC(C3=CC=CC=C3)=C1)C2	REAL300005663118	0	42	-2.0	-124.32	346.53	8.54	-115.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(C3=CC=CC=C3F)C1)C2	REAL300005663119	0	46	-2.0	-131.33	367.18	8.57	-122.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN(C3=CC=CC=C3Cl)C1)C2	REAL300005663120	0	46	-2.0	-130.29	376.91	9.24	-121.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC(F)(F)F)C=N1)C2	REAL300005663121	0	40	-2.0	-132.59	349.74	7.61	-124.98
CN1C=NC2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C21	REAL300005663122	0	40	-2.0	-136.74	326.36	8.90	-127.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3OC=CC3=CC(F)=C1)C2	REAL300005663123	0	37	-2.0	-134.14	317.74	8.34	-125.80
CC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)OC2=CC=C1	REAL300005663124	0	40	-2.0	-132.60	334.63	9.30	-123.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1NC(=O)NC1=O)C2	REAL300005663125	0	39	-2.0	-129.86	332.79	2.15	-127.71
CN(C)C1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663126	0	46	-2.0	-133.95	370.57	9.81	-124.14
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663127	0	42	-2.0	-142.98	358.97	3.14	-139.84
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C	REAL300005663128	0	41	-2.0	-137.71	324.12	8.47	-129.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CSCCS1)C2	REAL300005663129	0	36	-2.0	-132.17	313.71	7.97	-124.20
CC1=NNC(C)=C1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663130	0	43	-2.0	-131.77	352.16	7.28	-124.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CSC(C3=CC=CC=N3)=N1)C2	REAL300005663131	0	42	-2.0	-137.61	372.53	7.98	-129.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CN1C1=CC=C(F)C=C1)C2	REAL300005663132	0	41	-2.0	-132.66	345.37	10.29	-122.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(N3CCOCC3)=CC=N1)C2	REAL300005663133	0	46	-2.0	-135.98	362.26	5.71	-130.27
CC1=NNC(C)=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663134	0	40	-2.0	-127.87	333.79	6.42	-121.45
NS(=O)(=O)C1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663135	0	45	-2.0	-135.97	385.79	4.72	-131.25
COC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005663136	0	43	-2.0	-135.64	354.00	8.10	-127.54
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=NC=C2)=N1	REAL300005663137	0	43	-2.0	-130.26	352.01	7.35	-122.91
CC(C)C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1CC(C)OC(C)C1	REAL300005663138	0	55	-2.0	-132.41	396.83	7.21	-125.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(NC3=CC=CC=N3)=N1)C2	REAL300005663140	0	41	-2.0	-139.03	355.71	9.15	-129.88
CCN1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663141	0	37	-2.0	-137.35	309.13	7.04	-130.31
CCC(CC)N1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663142	0	46	-2.0	-137.89	366.46	9.06	-128.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(=O)C3=CC=CC=C31)C2	REAL300005663143	0	43	-2.0	-134.45	352.71	9.30	-125.15
CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(N)=N1	REAL300005663144	0	37	-2.0	-127.68	306.18	4.75	-122.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=CC=C(O)C(F)=C1)C2	REAL300005663145	0	44	-2.0	-133.22	370.36	7.76	-125.46
COC1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663146	0	36	-2.0	-128.48	304.77	3.87	-124.61
CCC1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663147	0	39	-2.0	-136.23	320.83	8.31	-127.92
COC(=CC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663148	0	42	-2.0	-129.01	342.07	8.95	-120.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=NNN=C31)C2	REAL300005663149	0	36	-2.0	-138.95	303.56	5.15	-133.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1CCCC3)C2	REAL300005663150	0	44	-2.0	-137.26	341.89	10.27	-126.99
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC=CCC1	REAL300005663151	0	41	-2.0	-130.79	310.50	8.29	-122.50
CCN1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663152	0	37	-2.0	-127.78	300.18	6.44	-121.34
CC1=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005663153	0	41	-2.0	-136.62	341.06	7.69	-128.93
CC1=CC=NC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005663154	0	42	-2.0	-129.47	342.73	8.81	-120.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN3N=NN=C13)C2	REAL300005663155	0	35	-2.0	-153.58	305.59	6.26	-147.32
CC(C)N1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663156	0	40	-2.0	-128.32	320.10	7.14	-121.18
CC1=NNC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663157	0	37	-2.0	-134.22	315.54	5.45	-128.77
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005663158	0	41	-2.0	-130.96	334.06	7.76	-123.20
CC1=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005663159	0	43	-2.0	-130.84	352.17	7.96	-122.88
COC1=NOC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663160	0	40	-2.0	-129.07	339.54	5.33	-123.74
COC1=CC=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NN=C21	REAL300005663161	0	41	-2.0	-130.51	336.40	6.25	-124.26
CC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1O	REAL300005663162	0	41	-2.0	-134.20	341.31	6.86	-127.34
CN1C=NC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663163	0	38	-2.0	-135.15	319.65	8.53	-126.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CN=CS1)C2	REAL300005663164	0	34	-2.0	-131.33	304.56	6.67	-124.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC3=NC=NC3=C1)C2	REAL300005663165	0	36	-2.0	-125.90	310.20	6.95	-118.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NC3=NC=CN=C3C=C1)C2	REAL300005663166	0	37	-2.0	-144.00	313.95	6.16	-137.84
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC(CC2CC2)=N1	REAL300005663167	0	43	-2.0	-126.56	358.67	8.75	-117.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCN(CC(F)F)CC1)C2	REAL300005663168	0	48	-2.0	-132.51	375.38	7.86	-124.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=N3)=NO1)C2	REAL300005663169	0	39	-2.0	-130.28	337.50	7.39	-122.89
CCNC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663170	0	38	-2.0	-129.08	325.58	5.94	-123.14
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005663171	0	43	-2.0	-136.97	358.37	7.68	-129.29
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCC3)CCCCC1)C2	REAL300005663173	0	56	-2.0	-144.05	382.44	11.34	-132.71
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005663176	0	43	-2.0	-128.08	363.23	10.35	-117.73
CCCCOC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005663177	0	47	-2.0	-133.30	391.17	10.16	-123.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(Br)C(O)=C1)C2	REAL300005663178	0	38	-2.0	-129.43	341.66	6.77	-122.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CSC(C3=CC=CC=C3O)=N1)C2	REAL300005663179	0	43	-2.0	-139.34	372.47	5.67	-133.67
CCCC1CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005663180	0	47	-2.0	-130.66	355.31	8.13	-122.53
CN1CCC2=C(C1)C1=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C1N2	REAL300005663181	0	50	-2.0	-138.26	390.19	7.67	-130.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1NC1CCCCC1)C2	REAL300005663182	0	52	-2.0	-135.27	397.45	10.29	-124.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3C=C(Cl)C=C(Cl)C3=N1)C2	REAL300005663183	0	37	-2.0	-139.63	345.08	9.99	-129.64
CS(=O)(=O)C1=CC=C(NCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663184	0	45	-2.0	-130.67	387.01	4.67	-126.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=C(C(F)(F)F)C=C3N1)C2	REAL300005663185	0	41	-2.0	-126.99	351.50	9.23	-117.76
CC1=CC=C(OCCCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005663186	0	50	-2.0	-132.42	403.06	10.76	-121.66
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663187	0	47	-2.0	-136.48	375.61	9.91	-126.57
CC1=CC=C(C2=NNC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)C=C1C	REAL300005663188	0	47	-2.0	-127.17	379.76	9.50	-117.67
CC1=CC=C(C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN2)C=C1C	REAL300005663188	1	47	-2.0	-135.80	380.75	9.49	-126.31
CC1=NNC(C)=C1C(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663189	0	46	-2.0	-130.75	358.86	7.51	-123.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(N3CCCC3)=N1)C2	REAL300005663190	0	44	-2.0	-135.33	357.52	8.25	-127.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCN(CC(F)(F)F)C1)C2	REAL300005663191	0	45	-2.0	-137.10	358.65	6.82	-130.28
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663192	0	41	-2.0	-130.10	347.81	9.69	-120.41
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663193	0	44	-2.0	-140.53	362.27	10.22	-130.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC=C1OC1=CC=CC=C1)C2	REAL300005663194	0	44	-2.0	-128.62	365.87	9.51	-119.11
CC1=NN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300005663195	0	47	-2.0	-138.91	392.40	10.58	-128.33
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663196	0	48	-2.0	-134.87	371.21	7.51	-127.36
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1Cl	REAL300005663197	0	46	-2.0	-129.53	362.91	10.28	-119.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3C(=C1)CCCCC3=O)C2	REAL300005663198	0	46	-2.0	-131.01	362.33	9.92	-121.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=NC=CN3C1)C2	REAL300005663199	0	41	-2.0	-131.72	329.03	7.67	-124.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(CC3=CC=CC=C3)=NN1)C2	REAL300005663200	0	44	-2.0	-126.26	364.98	9.07	-117.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(C1=CC=C(O)C=C1)C1CC1)C2	REAL300005663201	0	48	-2.0	-130.33	391.76	8.61	-121.72
CN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1CC1=CC=CC=C1	REAL300005663202	0	47	-2.0	-137.37	372.13	9.62	-127.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCN3C=CN=C3C1)C2	REAL300005663203	0	41	-2.0	-131.50	330.69	7.80	-123.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CN=CN3C1)C2	REAL300005663204	0	41	-2.0	-128.97	331.53	8.52	-120.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(=O)C3=CC=CC=C3)N=CN1)C2	REAL300005663205	0	43	-2.0	-137.23	353.17	11.38	-125.85
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663206	0	47	-2.0	-126.81	376.01	8.27	-118.54
NS(=O)(=O)CCCCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663207	0	47	-2.0	-139.30	393.06	4.08	-135.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OCC(F)F)N=C1)C2	REAL300005663208	0	40	-2.0	-126.41	344.92	5.72	-120.69
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005663209	0	41	-2.0	-135.67	324.57	7.82	-127.85
CC(C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005663210	0	43	-2.0	-133.36	358.08	9.56	-123.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(OCC(F)F)C=N1)C2	REAL300005663211	0	39	-2.0	-132.11	340.93	4.79	-127.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(N3CCOCC3)CC1)C2	REAL300005663212	0	44	-2.0	-128.74	344.75	4.71	-124.03
CC(C)(O)C1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663213	0	50	-2.0	-134.11	366.24	6.30	-127.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(OC3=CC=C(Cl)C=C3)CC1)C2	REAL300005663214	0	42	-2.0	-130.79	359.13	9.43	-121.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CS(=O)(=O)C1)C2	REAL300005663215	0	37	-2.0	-136.20	317.01	3.92	-132.28
CC(C)N1C=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663216	0	43	-2.0	-140.35	352.43	8.10	-132.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC3=CC=CC=C3C=C1)C2	REAL300005663217	0	45	-2.0	-133.04	372.09	10.11	-122.93
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=C(N=CNC2=O)O1	REAL300005663218	0	39	-2.0	-153.49	338.86	4.84	-148.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CC=CN=C1)C2	REAL300005663219	0	39	-2.0	-131.26	326.43	7.96	-123.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1N1CCCC1)C2	REAL300005663220	0	45	-2.0	-132.73	353.95	8.17	-124.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NC3=CC=CC=C3N1)C2	REAL300005663221	0	43	-2.0	-132.22	357.86	8.44	-123.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=C(F)C=C3S1)C2	REAL300005663222	0	37	-2.0	-131.88	325.96	9.28	-122.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCC1=NC3=CC=CC=C3S1)C2	REAL300005663223	0	43	-2.0	-137.76	376.36	8.79	-128.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(N3CCCC3)=CC=N1)C2	REAL300005663224	0	45	-2.0	-132.93	357.14	7.43	-125.50
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663225	0	45	-2.0	-142.47	377.93	4.69	-137.78
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC3=CC=CC=C31)C2	REAL300005663226	0	39	-2.0	-128.80	321.50	8.25	-120.55
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663227	0	45	-2.0	-135.00	366.35	9.40	-125.60
CN(C)C1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663228	0	48	-2.0	-131.01	382.71	10.14	-120.87
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C(=N1)ON=C2C(C)C	REAL300005663229	0	47	-2.0	-130.74	381.27	6.74	-124.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3=CC=CC=N3)=N1)C2	REAL300005663230	0	39	-2.0	-147.21	346.13	7.54	-139.67
CCN(CC)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005663231	1	48	-2.0	-133.79	381.42	7.56	-126.23
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005663233	0	42	-2.0	-131.45	340.76	9.14	-122.31
CC1=CC=C(N2CCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2)N=C1	REAL300005663234	0	51	-2.0	-127.88	397.90	9.30	-118.58
CN(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005663235	0	45	-2.0	-131.05	360.92	8.00	-123.05
CN(C)C1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663236	0	41	-2.0	-137.19	329.26	7.28	-129.91
CCCCN(CC)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663237	0	54	-2.0	-137.45	420.21	11.56	-125.89
CCCCN(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663238	0	51	-2.0	-135.28	398.59	10.57	-124.71
CCCN(CC)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005663239	0	50	-2.0	-126.95	396.56	10.23	-116.72
CC(=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005663240	0	41	-2.0	-130.20	355.91	10.72	-119.48
CN1CCOCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663241	0	40	-2.0	-133.59	318.84	3.42	-130.17
CN1C=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663242	0	40	-2.0	-132.85	334.43	7.44	-125.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=CO3)N1)C2	REAL300005663243	0	35	-2.0	-129.89	293.00	6.29	-123.60
CC1=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN2C=C1	REAL300005663244	0	40	-2.0	-141.28	328.79	8.15	-133.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CC3)N=NS1)C2	REAL300005663245	0	36	-2.0	-122.55	311.24	6.75	-115.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC3=NC=CC3=C1)C2	REAL300005663247	0	37	-2.0	-125.58	315.70	7.46	-118.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3NC=CC3=C1)C2	REAL300005663247	1	37	-2.0	-133.66	304.53	6.98	-126.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN=CS1)C2	REAL300005663248	0	33	-2.0	-133.46	298.46	5.80	-127.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=NNC=C3)S1)C2	REAL300005663249	0	38	-2.0	-131.62	333.34	7.15	-124.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(=O)NN=C1)C2	REAL300005663250	0	33	-2.0	-129.31	289.45	3.67	-125.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1CC(F)(F)F)C2	REAL300005663251	0	37	-2.0	-125.97	318.59	6.88	-119.09
CC(C)CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=CN=C1	REAL300005663252	0	46	-2.0	-122.89	366.95	10.37	-112.52
CC1=COC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663253	0	37	-2.0	-134.48	312.98	7.60	-126.88
CCC1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663254	0	40	-2.0	-131.10	326.18	6.95	-124.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3CCCCC3=C1)C2	REAL300005663255	0	41	-2.0	-139.36	328.70	7.75	-131.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(N3C=CN=N3)C=CS1)C2	REAL300005663256	0	37	-2.0	-147.48	318.52	6.93	-140.55
CCC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663257	0	49	-2.0	-134.43	373.45	10.17	-124.26
CC(=O)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663258	0	37	-2.0	-134.65	312.73	6.53	-128.12
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1OC	REAL300005663259	0	45	-2.0	-127.84	366.06	7.57	-120.27
COCCN1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663260	0	41	-2.0	-127.64	333.82	5.48	-122.16
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N(C)C=C1	REAL300005663261	0	38	-2.0	-138.08	318.64	7.72	-130.36
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663262	0	35	-2.0	-136.15	295.81	6.13	-130.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=NN1C1=CC=CC(F)=C1)C2	REAL300005663263	0	40	-2.0	-128.31	338.24	7.57	-120.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3=CC=NC=C3)N=C1)C2	REAL300005663264	0	40	-2.0	-131.84	334.29	7.17	-124.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CC=C(Cl)S1)C2	REAL300005663265	0	38	-2.0	-129.55	343.39	7.63	-121.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3=CC=C(Cl)S3)NN=C1)C2	REAL300005663265	1	38	-2.0	-130.89	343.73	7.54	-123.35
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663266	0	50	-2.0	-134.41	388.67	9.83	-124.58
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)N1C1=CN(C)N=C1	REAL300005663267	0	48	-2.0	-137.20	389.49	9.63	-127.57
CCOC1=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005663268	0	48	-2.0	-138.76	395.60	8.86	-129.90
CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005663269	0	44	-2.0	-129.52	323.85	6.39	-123.13
NC1=C(Cl)C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005663270	0	36	-2.0	-124.49	327.84	6.83	-117.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CC3)N=N1)C2	REAL300005663271	0	40	-2.0	-135.61	336.32	7.11	-128.50
CCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663272	0	39	-2.0	-135.22	326.47	6.31	-128.91
CC(C)N1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663273	0	39	-2.0	-134.86	323.75	6.07	-128.79
CC1=NC(CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)=NO1	REAL300005663274	0	41	-2.0	-139.39	356.44	4.05	-135.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNN=C1C1=CSC=C1)C2	REAL300005663275	0	38	-2.0	-127.55	332.85	6.84	-120.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CCOC3)N=N1)C2	REAL300005663276	0	44	-2.0	-137.53	361.25	5.65	-131.88
CC1=CC(CN2N=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C)=NO1	REAL300005663277	0	45	-2.0	-145.20	377.71	7.19	-138.01
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=NN1CC1CCCC1	REAL300005663278	0	49	-2.0	-137.30	386.44	8.72	-128.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300005663279	0	37	-3.0	-178.53	324.75	5.31	-173.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300005663279	1	37	-3.0	-178.45	324.81	5.31	-173.14
CC(CC1=CN(C)N=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663280	0	43	-2.0	-133.43	350.64	7.83	-125.60
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C(C2=CN(C)N=C2)O1	REAL300005663281	0	43	-2.0	-143.06	362.95	5.78	-137.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC(CO)=C1)C2	REAL300005663282	0	35	-2.0	-132.42	296.36	3.35	-129.07
CC1=NC2=CC=NN2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663283	0	39	-2.0	-131.11	333.09	7.09	-124.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(OCC(F)F)=C1)C2	REAL300005663284	0	40	-2.0	-131.16	341.68	5.77	-125.39
CC(C)CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005663285	0	46	-2.0	-133.07	372.37	8.88	-124.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CN=C1OCC(F)F)C2	REAL300005663286	0	40	-2.0	-146.01	343.36	6.60	-139.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OCC(F)F)=N1)C2	REAL300005663287	0	40	-2.0	-131.27	343.18	6.96	-124.31
CC(=O)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C	REAL300005663288	0	42	-2.0	-128.23	338.16	8.92	-119.31
CC1=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN2C=C1	REAL300005663289	0	40	-2.0	-146.63	331.90	10.54	-136.09
CCC1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663290	0	39	-2.0	-136.65	313.39	8.35	-128.30
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1CCCCC1	REAL300005663291	0	50	-2.0	-141.12	392.35	10.06	-131.06
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C(C)C1CC1	REAL300005663292	0	47	-2.0	-143.19	380.00	9.70	-133.49
CN(C)CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005663293	0	41	-2.0	-134.78	338.25	5.28	-129.50
CN(C)C1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N(C)C2=NC=N1	REAL300005663294	0	47	-2.0	-126.40	370.13	8.61	-117.79
CCC(CC)N1N=C(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663295	0	49	-2.0	-126.42	382.54	9.28	-117.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(OCC(F)F)=CC=N1)C2	REAL300005663296	0	40	-2.0	-140.67	342.47	7.44	-133.23
COC1=CC=CN2N=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300005663298	0	41	-2.0	-144.60	333.63	8.15	-136.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CCC3)N=C1)C2	REAL300005663299	0	41	-2.0	-133.05	328.52	7.49	-125.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NC=CC=C3O1)C2	REAL300005663300	0	36	-2.0	-131.58	308.25	6.84	-124.74
COCCCOC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005663301	0	51	-2.0	-131.00	410.03	8.37	-122.63
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1C1CCC1)C2	REAL300005663302	0	41	-2.0	-131.97	329.83	7.74	-124.23
CC1=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=N1	REAL300005663303	0	37	-2.0	-131.34	324.02	7.19	-124.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(Cl)C=C1)C2	REAL300005663304	0	38	-2.0	-129.78	336.07	9.93	-119.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=C1OCC3)C2	REAL300005663305	0	39	-2.0	-140.22	318.79	7.71	-132.51
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C(C)(C)C)O1	REAL300005663306	0	46	-2.0	-131.58	365.73	9.46	-122.12
CC1=CC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005663307	0	39	-2.0	-130.23	328.52	7.87	-122.36
CC(C)(C)C1=NC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663308	0	46	-2.0	-129.71	388.87	9.14	-120.57
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663309	0	51	-2.0	-135.67	408.25	11.13	-124.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CNC=C1CC1=CC=CC=C1)C2	REAL300005663310	0	45	-2.0	-139.72	359.84	10.06	-129.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CC3)OC(C3CC3)=C1)C2	REAL300005663312	0	45	-2.0	-133.36	364.75	10.60	-122.76
CC[C@@H]1OCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663313	0	41	-2.0	-124.62	324.86	6.39	-118.23
CC1=CC=CC=C1C(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663314	0	43	-2.0	-132.47	345.88	9.81	-122.66
COC1=NN(C)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663315	0	38	-2.0	-133.02	317.06	3.78	-129.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC(OC3CCCC3)=C1)C2	REAL300005663316	0	52	-2.0	-130.99	413.43	11.60	-119.39
CCC1=CC=C(Br)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663317	0	40	-2.0	-131.88	342.85	9.87	-122.01
COC1=CC(Br)=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663318	0	38	-2.0	-131.05	328.97	7.59	-123.46
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300005663319	0	36	-2.0	-129.39	305.29	5.13	-124.26
COC1=NC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663320	0	36	-2.0	-137.63	305.12	3.71	-133.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300005663321	0	34	-2.0	-128.22	308.96	7.44	-120.78
CC1(C)C(C)(C)C1(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663322	0	46	-2.0	-131.32	339.54	8.90	-122.42
CCC1=NOC(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663323	0	42	-2.0	-136.42	357.75	5.58	-130.84
COC1=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005663324	0	46	-2.0	-132.43	372.25	8.15	-124.28
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663325	0	47	-2.0	-136.53	375.32	11.87	-124.66
CC1=CC2=CC=C(C)C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C=C1	REAL300005663326	0	46	-2.0	-141.24	374.66	11.40	-129.84
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300005663327	0	41	-2.0	-134.85	349.07	8.98	-125.87
CC1=CN=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005663328	0	39	-2.0	-135.67	316.61	8.26	-127.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(C3=CC=CO3)=C1)C2	REAL300005663329	0	40	-2.0	-130.13	336.27	7.80	-122.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(C(F)(F)F)=N1)C2	REAL300005663330	0	35	-2.0	-131.67	312.19	5.90	-125.77
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663331	0	49	-2.0	-131.38	399.32	9.49	-121.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(C3=CC=CC=N3)=N1)C2	REAL300005663332	0	41	-2.0	-145.55	348.30	8.05	-137.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=COC3=CC=N1)C2	REAL300005663333	0	36	-2.0	-137.07	304.07	7.28	-129.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCOC1CCCC3)C2	REAL300005663334	0	45	-2.0	-135.08	329.08	7.46	-127.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2	REAL300005663335	0	51	-2.0	-137.49	392.62	5.65	-131.84
CC1=CN=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005663336	0	39	-2.0	-135.04	319.15	8.11	-126.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3CCCCC3=N1)C2	REAL300005663338	0	41	-2.0	-142.89	328.45	8.70	-134.19
CC1=NN(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300005663339	0	42	-2.0	-138.34	358.99	8.23	-130.11
CCCOC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1C	REAL300005663340	0	50	-2.0	-130.37	399.42	10.49	-119.88
CN1N=C(C2CC2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663341	0	41	-2.0	-126.79	333.41	7.74	-119.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CN3CCCCC3)O1)C2	REAL300005663342	1	49	-2.0	-136.86	384.21	7.95	-128.91
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663343	0	49	-2.0	-129.68	392.73	10.36	-119.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COC3=C(F)C=C(F)C=C3C1)C2	REAL300005663344	0	42	-2.0	-126.90	352.28	8.63	-118.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(CC3CC3)S1)C2	REAL300005663345	0	41	-2.0	-129.19	346.44	10.09	-119.10
COC1=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(OC)=C1	REAL300005663346	0	45	-2.0	-131.20	372.45	7.49	-123.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3=CC=CC=C3)=N1)C2	REAL300005663347	0	43	-2.0	-146.74	351.54	10.34	-136.40
CC1=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=CC=C1[N+](=O)[O-]	REAL300005663348	0	43	-2.0	-125.99	359.55	9.60	-116.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=CNN=C31)C2	REAL300005663349	0	38	-2.0	-139.81	308.94	6.27	-133.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3=C1NN=C3)C2	REAL300005663349	1	38	-2.0	-129.53	308.55	6.14	-123.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCCCCCC1CC1)C2	REAL300005663350	0	55	-2.0	-129.00	432.30	12.98	-116.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCOCC1)C2	REAL300005663351	0	44	-2.0	-127.02	337.43	7.22	-119.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@]13CCO[C@@H]1CCCCC3)C2	REAL300005663352	0	48	-2.0	-135.13	323.43	7.47	-127.66
CC12CCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(CC1)CO2	REAL300005663353	0	45	-2.0	-132.42	335.03	7.20	-125.22
CC1CCC(C)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663354	0	46	-2.0	-131.99	337.64	8.65	-123.34
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SN=N1	REAL300005663355	0	38	-2.0	-122.87	320.43	6.41	-116.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=C1NN=C3)C2	REAL300005663356	0	41	-2.0	-134.54	331.40	6.83	-127.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=CNN=C31)C2	REAL300005663356	1	41	-2.0	-139.31	332.50	6.79	-132.52
COC1=C2C=CSC2=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663357	0	41	-2.0	-137.77	347.84	8.54	-129.23
CC1(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)CC1	REAL300005663358	0	44	-2.0	-132.91	345.50	10.23	-122.68
CC1CCN(C2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)C1	REAL300005663359	0	49	-2.0	-135.81	376.96	8.71	-127.10
C=CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005663360	0	38	-2.0	-133.58	317.52	6.94	-126.64
CN1C=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663361	0	36	-2.0	-149.64	309.75	5.08	-144.56
CC1=NOC(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663362	0	39	-2.0	-128.62	328.54	7.91	-120.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3C(=C1)CCS3(=O)=O)C2	REAL300005663363	0	41	-2.0	-140.51	342.69	5.56	-134.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC(C3CCC3)=C1)C2	REAL300005663364	0	40	-2.0	-130.99	331.15	8.57	-122.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC=C1C1=CC=CC=C1)C2	REAL300005663365	0	40	-2.0	-136.84	338.91	9.38	-127.46
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005663366	0	40	-2.0	-125.14	337.58	9.24	-115.90
CC1(C)C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1(C)C	REAL300005663367	0	46	-2.0	-130.09	353.10	9.58	-120.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=C(Cl)C=C3S1)C2	REAL300005663368	0	37	-2.0	-131.42	336.28	9.71	-121.71
COC1=CC=CC(N2C=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)=C1	REAL300005663369	0	45	-2.0	-146.01	373.39	8.84	-137.17
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005663370	0	41	-2.0	-123.91	352.93	8.85	-115.06
COC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005663371	0	42	-2.0	-127.42	359.78	8.12	-119.30
CC1(C)CC2(CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2)C1	REAL300005663372	0	47	-2.0	-133.71	357.35	9.97	-123.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CC=CC=C3)C=N1)C2	REAL300005663373	0	43	-2.0	-135.09	353.14	10.35	-124.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CCCO3)N=N1)C2	REAL300005663374	0	44	-2.0	-137.85	361.84	5.80	-132.05
C[C@@H]1C[C@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC(C)(C)C1	REAL300005663375	0	49	-2.0	-129.10	366.08	9.86	-119.24
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(OC)=N1	REAL300005663376	0	41	-2.0	-137.53	340.46	4.25	-133.28
CC(C)CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C	REAL300005663377	0	48	-2.0	-130.39	353.23	9.24	-121.15
CC1(C)C2CCC(C2)C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663378	0	47	-2.0	-136.97	344.42	9.48	-127.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3C=CC(C(F)(F)F)=NC3=N1)C2	REAL300005663379	0	38	-2.0	-139.47	343.56	9.86	-129.61
C[C@@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)N1C=NN=N1	REAL300005663380	0	35	-2.0	-139.84	295.72	5.55	-134.29
COC1=CC=CC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663381	0	41	-2.0	-140.78	336.90	7.92	-132.86
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663382	0	43	-2.0	-132.62	357.16	10.31	-122.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CS3)CC1)C2	REAL300005663383	0	38	-2.0	-128.37	328.89	9.09	-119.28
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663384	0	53	-2.0	-129.80	407.13	10.32	-119.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCOCC3)CC1)C2	REAL300005663385	0	45	-2.0	-133.70	344.15	7.57	-126.13
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2CCC(C1)S2	REAL300005663386	0	45	-2.0	-117.38	317.40	8.95	-108.43
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2CCC(C1)S2(=O)=O	REAL300005663387	0	47	-2.0	-139.30	337.69	5.19	-134.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C2	REAL300005663388	0	38	-2.0	-128.91	319.03	6.23	-122.68
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CS2)=NO1	REAL300005663389	0	40	-2.0	-126.17	358.65	9.15	-117.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1=CC=CC3=C1OCC3)C2	REAL300005663390	0	43	-2.0	-134.46	349.03	6.62	-127.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(O)C1CCCC1)C2	REAL300005663391	0	44	-2.0	-131.68	344.57	6.93	-124.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN(CC(F)(F)F)C=C1)C2	REAL300005663392	0	37	-2.0	-139.62	327.10	7.53	-132.09
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C2	REAL300005663393	0	45	-2.0	-130.21	380.52	9.56	-120.65
CC1(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005663394	0	44	-2.0	-134.43	347.29	8.37	-126.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=CC=CC=C3C=N1)C2	REAL300005663395	0	39	-2.0	-139.31	324.00	9.17	-130.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1CC(F)(F)C1)C2	REAL300005663396	0	40	-2.0	-125.82	336.42	8.92	-116.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1COC3=CC(Cl)=CC=C3C1)C2	REAL300005663397	0	42	-2.0	-124.88	359.24	8.75	-116.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1[C@H]3CCCO[C@H]31)C2	REAL300005663398	0	39	-2.0	-130.05	313.92	6.35	-123.70
CC1(C)COCC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005663399	0	45	-2.0	-138.86	356.17	6.85	-132.01
CC1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCO1	REAL300005663400	0	44	-2.0	-130.62	336.37	6.93	-123.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCCC(F)(F)F)C2	REAL300005663401	0	39	-2.0	-129.36	332.83	8.68	-120.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1C[C@@H](OC(F)F)C1)C2	REAL300005663402	0	38	-2.0	-133.55	323.25	6.56	-126.99
CC1(C)CC1CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663403	0	43	-2.0	-125.37	346.57	9.38	-115.99
CC(C)(C)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663404	0	45	-2.0	-141.20	353.76	9.31	-131.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(N3C=NC=N3)=N1)C2	REAL300005663405	0	39	-2.0	-136.99	333.09	10.49	-126.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3N(CCNS3(=O)=O)N=C1)C2	REAL300005663406	0	40	-2.0	-144.48	336.70	1.28	-143.20
CC(C)(C)N1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663407	0	43	-2.0	-127.98	329.03	7.50	-120.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCC[C@H]1C1CC1)C2	REAL300005663408	0	44	-2.0	-131.10	339.41	9.25	-121.85
CC1=NC2=C(CCCC2CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300005663409	0	46	-2.0	-141.29	363.04	7.72	-133.57
COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CN=CC=C12	REAL300005663410	0	43	-2.0	-130.75	350.40	7.73	-123.02
CCCCCC1=CC=CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663411	0	52	-2.0	-130.94	417.59	12.72	-118.22
COC1CCCC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663412	0	41	-2.0	-134.80	323.95	6.89	-127.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CCCC31)C2	REAL300005663413	0	41	-2.0	-129.27	320.20	8.92	-120.35
CCCCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663414	0	42	-2.0	-125.76	353.05	8.14	-117.62
CC(C)(C)OCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663415	0	46	-2.0	-126.00	383.31	6.52	-119.48
CCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005663416	0	36	-2.0	-136.77	311.58	7.03	-129.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC=C1C1CC1)C2	REAL300005663417	0	38	-2.0	-140.92	317.37	6.62	-134.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3CC3CC1)C2	REAL300005663418	0	44	-2.0	-131.30	335.35	9.34	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCC=CCC1)C2	REAL300005663419	0	44	-2.0	-129.89	336.34	9.63	-120.26
CC(=O)N1CSC[C@@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663420	0	39	-2.0	-139.07	331.46	6.19	-132.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CCCOCC1)C2	REAL300005663421	0	39	-2.0	-131.07	316.70	6.22	-124.85
CC1(C)CCC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663422	0	44	-2.0	-129.86	341.23	9.24	-120.62
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCCO1	REAL300005663423	0	45	-2.0	-134.88	337.35	6.71	-128.17
CC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005663424	0	40	-2.0	-131.24	336.21	9.28	-121.96
CN(C)C1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=CC=C1	REAL300005663425	0	45	-2.0	-135.16	373.87	8.70	-126.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC1(C1=CC=NC=C1)CC3)C2	REAL300005663426	0	47	-2.0	-137.47	372.19	9.73	-127.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C2	REAL300005663427	0	41	-2.0	-126.15	353.06	10.11	-116.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1CCCCCCC1)C2	REAL300005663428	0	50	-2.0	-132.95	357.44	7.56	-125.39
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2CCCCC2=N1	REAL300005663429	0	46	-2.0	-127.92	359.70	9.13	-118.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CN=C1)C2	REAL300005663430	0	37	-2.0	-132.96	314.23	7.65	-125.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(O)(C3=CC=CC=C3)C1)C2	REAL300005663431	0	48	-2.0	-132.41	374.67	7.95	-124.46
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005663432	0	48	-2.0	-129.06	387.63	7.30	-121.76
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300005663433	0	45	-2.0	-129.06	365.74	6.43	-122.63
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NN1C	REAL300005663434	0	48	-2.0	-133.61	386.94	7.18	-126.43
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300005663435	0	44	-2.0	-136.53	366.22	9.39	-127.14
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663436	0	48	-2.0	-129.15	375.78	7.57	-121.58
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C(C)C)O1	REAL300005663437	0	49	-2.0	-131.00	386.20	10.33	-120.67
COC1=CC=C(N2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)C=C1	REAL300005663438	0	44	-2.0	-135.76	369.10	7.37	-128.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=NN=C1C1=CC=CC=C1)C2	REAL300005663439	0	42	-2.0	-139.11	353.91	7.64	-131.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CC3)O1)C2	REAL300005663440	0	38	-2.0	-132.37	324.39	8.39	-123.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3=CC=CC=N3)N=C1)C2	REAL300005663441	0	41	-2.0	-130.37	344.54	7.18	-123.19
COC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005663442	0	44	-2.0	-131.34	360.44	8.53	-122.81
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C(F)F	REAL300005663443	0	37	-2.0	-133.90	319.57	6.82	-127.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300005663444	0	43	-2.0	-137.67	365.76	10.92	-126.75
CS(=O)(=O)C1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663445	0	46	-2.0	-135.20	395.54	7.22	-127.98
CC(C)CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663446	0	42	-2.0	-126.44	350.40	7.67	-118.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(C3CCCCC3)=C1)C2	REAL300005663447	0	47	-2.0	-130.84	375.23	10.83	-120.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2	REAL300005663448	0	42	-2.0	-127.52	328.86	9.23	-118.29
CC(C)(C)CC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663449	0	45	-2.0	-126.81	367.12	8.26	-118.55
CC1CC2CC2CC1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663450	0	44	-2.0	-129.62	337.40	9.39	-120.23
CCCC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663451	0	43	-2.0	-135.26	341.62	9.89	-125.37
COC12CCC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(CC1)CC2	REAL300005663452	0	48	-2.0	-126.20	349.67	7.17	-119.03
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663453	0	51	-2.0	-123.36	406.09	7.76	-115.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=NOC(C3CC3)=C1)C2	REAL300005663454	0	40	-2.0	-129.65	341.27	8.67	-120.98
CCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CN1	REAL300005663455	0	37	-2.0	-139.54	309.76	6.60	-132.94
CCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663455	1	37	-2.0	-124.02	307.16	6.43	-117.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1)C2	REAL300005663456	0	38	-2.0	-131.50	319.36	9.41	-122.09
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CSC1=CC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663461	0	44	-2.0	-126.31	375.06	10.72	-115.59
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COC1=CC(=O)NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663464	0	38	-2.0	-137.61	323.18	4.40	-133.21
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CC(C)CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663478	0	43	-2.0	-129.48	353.08	9.78	-119.70
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CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663482	0	44	-2.0	-125.94	367.55	9.31	-116.63
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COC1=C(Cl)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663486	0	38	-2.0	-130.67	332.16	8.47	-122.20
CC(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C(C)C)N1	REAL300005663487	0	50	-2.0	-137.62	390.01	9.53	-128.09
CC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2CCCCN12	REAL300005663488	0	44	-2.0	-142.44	351.66	9.01	-133.43
CC1=NOC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663489	0	36	-2.0	-132.91	310.52	6.54	-126.37
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CC1=NSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663497	0	33	-2.0	-124.99	293.53	5.80	-119.19
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CN1	REAL300005663498	0	41	-2.0	-138.40	326.78	7.56	-130.84
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663499	0	42	-2.0	-145.32	358.71	7.94	-137.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CCCCO3)N=C1)C2	REAL300005663500	0	48	-2.0	-136.58	379.74	7.47	-129.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC3=C1CCCCCC3)C2	REAL300005663501	0	47	-2.0	-133.65	358.38	10.25	-123.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CC=CN3C=N1)C2	REAL300005663502	0	37	-2.0	-146.12	310.37	9.91	-136.21
CC1=CC=CN2N=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C12	REAL300005663503	0	40	-2.0	-142.17	333.42	8.63	-133.54
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663504	0	47	-2.0	-132.60	364.71	10.30	-122.30
CC1=CC2=CC=NC=C2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663505	0	42	-2.0	-140.18	342.30	8.95	-131.23
CC(C)(C)OCCOCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663506	0	50	-2.0	-130.99	395.51	7.38	-123.61
CC(C)C1CCC2=C(C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)S2)C1	REAL300005663507	0	50	-2.0	-133.30	395.61	10.76	-122.54
CN1N=CC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C21	REAL300005663508	0	39	-2.0	-126.28	322.33	5.74	-120.54
CCOCCOCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663509	0	44	-2.0	-130.77	361.21	6.23	-124.54
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663510	0	44	-2.0	-127.29	363.66	9.60	-117.69
CC1(OCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005663511	0	45	-2.0	-129.53	353.94	6.79	-122.74
CC1=CC=CN2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C12	REAL300005663512	0	43	-2.0	-136.99	362.15	9.71	-127.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1CCCO1)C2	REAL300005663513	0	42	-2.0	-127.84	340.46	7.57	-120.27
CS(=O)(=O)C1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663514	0	43	-2.0	-140.48	370.90	6.47	-134.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=CC=CS3)CC3(CCC3)C1)C2	REAL300005663515	0	48	-2.0	-134.25	385.78	11.16	-123.09
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)=CO1	REAL300005663516	0	44	-2.0	-136.20	372.84	10.60	-125.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(Cl)C=CC=C1OCC1CC1)C2	REAL300005663517	0	45	-2.0	-139.72	387.82	10.37	-129.35
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CCCCC2)=NO1	REAL300005663518	0	49	-2.0	-131.74	392.62	10.28	-121.46
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2CCCC2)=NO1	REAL300005663519	0	46	-2.0	-130.97	374.19	9.63	-121.34
CC1=CSC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663520	0	37	-2.0	-128.80	326.05	8.53	-120.27
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663521	0	47	-2.0	-135.29	392.30	11.05	-124.24
CN1C=C(C2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCCO2)C=N1	REAL300005663522	0	45	-2.0	-132.51	355.73	6.81	-125.70
COCCOC1=CC=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663523	0	49	-2.0	-134.35	404.31	8.91	-125.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=CC=C1N1C=CC=N1)C2	REAL300005663524	0	45	-2.0	-142.16	371.51	10.83	-131.33
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663525	0	44	-2.0	-129.45	375.56	10.94	-118.51
CC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005663526	0	44	-2.0	-129.54	373.68	10.93	-118.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=C(C3CC3)C=C1)C2	REAL300005663527	0	45	-2.0	-131.48	368.54	11.52	-119.96
CCOC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005663528	0	48	-2.0	-131.71	390.66	10.39	-121.32
CC1=CC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005663529	0	51	-2.0	-131.79	408.56	11.02	-120.77
C=CCCCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663530	0	47	-2.0	-133.31	381.20	11.27	-122.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=CC3=NSN=C31)C2	REAL300005663531	0	38	-2.0	-140.31	338.46	7.05	-133.26
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NS(=O)(=O)CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663533	0	38	-2.0	-140.80	328.57	1.74	-139.06
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CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2N=C1	REAL300005663536	0	45	-2.0	-132.09	368.73	9.64	-122.45
CC1=CC(C)=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=N1	REAL300005663537	0	42	-2.0	-137.15	353.46	8.58	-128.57
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COC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C	REAL300005663541	0	41	-2.0	-129.68	328.78	7.79	-121.89
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CS1	REAL300005663542	0	35	-2.0	-137.38	299.08	7.16	-130.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CN=CC(Br)=C1)C2	REAL300005663543	0	39	-2.0	-128.77	347.77	8.56	-120.21
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COCC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005663546	0	47	-2.0	-131.38	358.88	8.14	-123.24
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CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663549	0	44	-2.0	-136.54	365.62	10.20	-126.34
CN1N=C(C2CCOCC2)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663550	0	48	-2.0	-129.33	376.13	7.01	-122.32
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C1=CC=CC=C1F	REAL300005663551	0	44	-2.0	-151.73	369.73	10.10	-141.63
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(S(N)(=O)=O)S1	REAL300005663552	0	39	-2.0	-136.95	349.57	2.56	-134.39
CC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC(F)F	REAL300005663553	0	41	-2.0	-135.37	335.53	7.95	-127.42
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC2=CC=CC=C21	REAL300005663554	0	43	-2.0	-136.65	353.09	10.63	-126.02
C[C@H](CC1CCCCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663555	0	49	-2.0	-128.88	363.89	10.15	-118.73
CN1N=CC2=CC(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005663556	0	43	-2.0	-134.51	359.57	8.93	-125.58
CC1=CC(COCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005663557	0	40	-2.0	-132.51	340.88	7.53	-124.98
CC1=CC=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CN=C12	REAL300005663558	0	42	-2.0	-129.30	340.74	8.97	-120.33
CCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005663559	0	43	-2.0	-127.96	344.34	7.75	-120.21
CCCN1N=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005663560	0	43	-2.0	-133.83	342.84	7.65	-126.18
COC1=CC=C(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=C1	REAL300005663561	0	45	-2.0	-131.83	366.28	9.25	-122.58
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300005663562	0	37	-2.0	-122.77	319.33	6.26	-116.51
CC1=C(C(F)(F)F)NN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663562	1	37	-2.0	-127.73	322.61	6.43	-121.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC=C1N1C=CC=N1)C2	REAL300005663563	0	40	-2.0	-146.00	333.88	7.59	-138.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=N1)C2	REAL300005663564	0	37	-2.0	-132.98	316.62	6.30	-126.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1CCC(CO)CC1)C2	REAL300005663566	1	46	-2.0	-128.15	360.49	3.58	-124.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300005663567	0	32	-3.0	-202.00	284.91	4.39	-197.61
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663568	0	47	-2.0	-131.30	360.98	7.08	-124.22
CC1=CC=CC=C1C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005663569	0	50	-2.0	-135.76	397.96	12.44	-123.32
CC(C)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCO1	REAL300005663570	0	44	-2.0	-137.70	327.72	6.74	-130.96
CC1=CC(Cl)=CC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663571	0	40	-2.0	-129.12	345.05	9.65	-119.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(C1)CC1(CCC1)C3)C2	REAL300005663572	0	48	-2.0	-132.86	377.42	10.81	-122.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NC3=CC=NN31)C2	REAL300005663573	0	43	-2.0	-126.88	368.08	8.95	-117.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3SC=CC3=NC=C1)C2	REAL300005663574	0	36	-2.0	-134.79	313.65	7.37	-127.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=C1COC3)C2	REAL300005663575	0	36	-2.0	-128.51	297.77	5.28	-123.23
C=CCC1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663576	0	41	-2.0	-136.84	333.91	9.73	-127.11
CC1(C)C2CCC1(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005663577	0	47	-2.0	-137.62	340.39	9.05	-128.57
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1N	REAL300005663578	0	42	-2.0	-134.89	346.94	5.81	-129.08
CC(F)(F)C1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005663579	0	44	-2.0	-129.23	331.52	6.33	-122.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCO3)CCC1)C2	REAL300005663580	0	45	-2.0	-126.41	342.42	7.79	-118.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCO3)CCCO1)C2	REAL300005663581	0	49	-2.0	-135.09	361.15	7.42	-127.67
CC1=CC=CC(C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2CCCCC2)=C1	REAL300005663582	0	56	-2.0	-132.38	425.81	12.49	-119.89
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300005663583	0	44	-2.0	-129.51	363.35	9.17	-120.34
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CSC=C2)=NO1	REAL300005663584	0	40	-2.0	-134.04	354.02	9.07	-124.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(Cl)C3=CC=CN=C13)C2	REAL300005663585	0	42	-2.0	-137.92	368.65	9.69	-128.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3CCC3)N=C1)C2	REAL300005663586	0	43	-2.0	-129.88	343.73	8.42	-121.46
CC1=CN2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=N1	REAL300005663587	0	37	-2.0	-129.62	326.46	8.01	-121.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(O)C1=CC=CC(Cl)=C1)C2	REAL300005663588	0	38	-2.0	-126.66	326.07	7.08	-119.58
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005663589	0	43	-2.0	-132.34	357.90	10.41	-121.93
CC1=CC=C2SC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2=C1	REAL300005663590	0	42	-2.0	-132.31	355.04	10.41	-121.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CC=C(C3CCC3)C=C1)C2	REAL300005663591	0	47	-2.0	-131.21	375.97	11.53	-119.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=CON=C1)C2	REAL300005663592	0	36	-2.0	-129.30	306.58	7.14	-122.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NC(C3=CC=CC=C3)=N1)C2	REAL300005663593	0	42	-2.0	-139.06	350.07	9.81	-129.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C(F)(F)F)OC3=CC=CC=C31)C2	REAL300005663594	0	40	-2.0	-134.14	355.73	9.66	-124.48
CC1=CC(C2CC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663595	0	43	-2.0	-132.91	345.11	8.69	-124.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC1(C1=CC=CC=N1)CC3)C2	REAL300005663596	0	47	-2.0	-148.01	367.67	10.70	-137.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CCOCC31)C2	REAL300005663597	0	39	-2.0	-130.16	303.19	8.06	-122.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C2	REAL300005663598	0	40	-2.0	-129.78	332.73	8.57	-121.21
CC1=C(C)C2=C(C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N2)O1	REAL300005663599	0	41	-2.0	-130.53	337.83	7.74	-122.79
CC1=C(Cl)C=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005663600	0	41	-2.0	-127.55	347.87	9.33	-118.22
COC1=CC=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N(C)C2=C1	REAL300005663601	0	45	-2.0	-134.39	361.27	8.60	-125.79
COCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)N1	REAL300005663602	0	40	-2.0	-141.02	343.61	3.86	-137.16
COCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)[N-]1	REAL300005663602	1	39	-3.0	-215.82	338.91	2.97	-212.85
CC1=CC=C(C(C)CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663603	0	46	-2.0	-129.13	366.47	10.86	-118.27
CN1N=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005663604	0	37	-2.0	-128.05	327.32	6.97	-121.08
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C)O1	REAL300005663605	0	40	-2.0	-130.71	323.95	8.29	-122.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CC3(F)F)N=C1)C2	REAL300005663606	0	38	-2.0	-132.60	323.21	7.13	-125.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(Cl)N1)C2	REAL300005663607	0	32	-2.0	-126.51	286.33	6.54	-119.97
CC1=C(C)NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663608	0	38	-2.0	-129.64	308.27	7.30	-122.34
CC1=CC=C(C)C(C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)C)=C1	REAL300005663609	0	52	-2.0	-133.74	404.03	11.54	-122.20
CN1N=NC2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C21	REAL300005663610	0	39	-2.0	-132.43	321.35	6.20	-126.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CCOC3)S1)C2	REAL300005663611	0	41	-2.0	-125.39	344.81	6.02	-119.37
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663612	0	41	-2.0	-135.56	346.13	7.75	-127.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCCC1=CC=C(Cl)S1)C2	REAL300005663613	0	41	-2.0	-129.88	373.46	9.85	-120.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CC3)OC=N1)C2	REAL300005663614	0	37	-2.0	-136.73	309.93	5.81	-130.92
CCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)O1	REAL300005663615	0	40	-2.0	-131.48	326.42	8.31	-123.17
CN1C=CC(C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NO2)=N1	REAL300005663616	0	40	-2.0	-135.09	345.88	7.19	-127.90
CCC(F)(F)C(C)(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663617	0	42	-2.0	-136.03	321.24	7.92	-128.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COCCC1=CC=CS1)C2	REAL300005663618	0	41	-2.0	-130.65	356.41	9.24	-121.41
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCOC1	REAL300005663619	0	45	-2.0	-136.32	348.04	6.70	-129.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1[C@H]3C[C@]1(C1=CC=CC=C1)CC3)C2	REAL300005663620	0	48	-2.0	-135.55	374.79	11.65	-123.90
CN1C=CC2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C21	REAL300005663621	0	41	-2.0	-138.85	331.83	9.43	-129.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(F)C=C3OC=CC3=C1)C2	REAL300005663622	0	37	-2.0	-135.20	315.72	8.22	-126.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=C(F)C=C3)=CS1)C2	REAL300005663623	0	41	-2.0	-125.58	358.71	10.01	-115.57
CCC(C)(C)CCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663624	0	48	-2.0	-129.22	362.65	9.71	-119.51
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663625	0	44	-2.0	-127.84	362.68	10.66	-117.18
CC1=C(C)C2=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC=C2N=N1	REAL300005663626	0	44	-2.0	-124.90	355.27	8.19	-116.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCNS1(=O)=O)C2	REAL300005663627	0	39	-2.0	-136.43	326.71	2.29	-134.14
CC1OC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C1C	REAL300005663628	0	45	-2.0	-127.47	360.68	8.96	-118.51
COC1=CC=C2C(CC(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CNC2=C1	REAL300005663629	0	45	-2.0	-136.37	375.04	7.89	-128.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1=CN(CC3=CC=CC=C3)N=C1)C2	REAL300005663630	0	47	-2.0	-133.89	394.45	10.60	-123.29
CCCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)O1	REAL300005663631	0	43	-2.0	-130.22	347.05	9.10	-121.12
CN1C=CC2=CC=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C21	REAL300005663632	0	40	-2.0	-134.17	333.92	7.75	-126.42
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=CC=C2)=NO1	REAL300005663633	0	49	-2.0	-127.29	407.15	11.28	-116.01
CC1=CC=CC=C1C(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCCC1	REAL300005663634	0	53	-2.0	-131.25	403.16	12.21	-119.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C(C3CCC3)OC=N1)C2	REAL300005663635	0	40	-2.0	-134.21	325.33	6.37	-127.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@H]3C[C@@H]1CO3)C2	REAL300005663636	0	42	-2.0	-129.73	316.16	6.83	-122.90
CC(C)(C)C1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663637	0	45	-2.0	-127.99	350.79	8.31	-119.68
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663638	0	41	-2.0	-124.39	349.51	8.06	-116.33
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005663639	0	43	-2.0	-127.29	363.23	10.33	-116.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC13CCOCC3)C2	REAL300005663640	0	48	-2.0	-131.46	356.77	7.79	-123.67
COC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005663641	0	40	-2.0	-125.23	344.01	5.58	-119.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=NC=CC=C3N=C1)C2	REAL300005663642	0	38	-2.0	-132.54	315.66	6.28	-126.26
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CS1	REAL300005663643	0	33	-2.0	-134.81	287.62	6.45	-128.36
CC1(C)CC(C)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663644	0	43	-2.0	-130.29	327.39	7.93	-122.36
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N(C)N=C1	REAL300005663645	0	43	-2.0	-127.91	352.62	7.78	-120.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(CC3CC(=O)C3)N=N1)C2	REAL300005663646	0	42	-2.0	-141.31	355.64	6.69	-134.62
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O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C(C3CCC3)NC1=O)C2	REAL300005663651	0	43	-2.0	-148.46	356.06	6.96	-141.50
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005663656	0	40	-2.0	-128.32	330.90	9.40	-118.92
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CC(C)(OCC(F)(F)F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663659	0	40	-2.0	-137.84	331.44	6.95	-130.89
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CC1(C)C2CCC1(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005663666	0	47	-2.0	-137.62	340.39	9.05	-128.57
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COC1=CC(F)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(F)=C1	REAL300005663669	0	38	-2.0	-133.37	331.29	7.48	-125.89
C#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCC1	REAL300005663670	0	39	-2.0	-133.79	314.60	8.30	-125.49
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CCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005663675	0	36	-2.0	-137.25	308.47	5.57	-131.68
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COC1=CC=CC=C1C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NO1	REAL300005663680	0	44	-2.0	-131.09	362.40	8.40	-122.69
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CC1=CC=C(Cl)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663689	0	37	-2.0	-129.28	322.22	8.98	-120.30
COC1=NN2C(=NN=C2CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663690	0	45	-2.0	-136.52	381.08	6.50	-130.02
CCC(CCOC)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663691	0	43	-2.0	-133.58	340.95	6.79	-126.79
CN1N=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663692	0	37	-2.0	-130.37	314.45	6.25	-124.12
COC1=CC(C)=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)OC2=C1	REAL300005663693	0	44	-2.0	-131.69	364.00	8.59	-123.10
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300005663694	0	49	-2.0	-132.36	384.01	11.53	-120.83
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CS1	REAL300005663695	0	36	-2.0	-135.17	307.87	7.21	-127.96
CC(C)=CCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1O	REAL300005663696	0	48	-2.0	-130.38	381.49	8.47	-121.91
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=CC=CC=C2N1C	REAL300005663697	0	44	-2.0	-143.15	363.00	10.35	-132.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3SC=CN13)C2	REAL300005663698	0	34	-2.0	-133.03	296.70	7.39	-125.64
CC1=NC=C(CCC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300005663699	0	39	-2.0	-130.01	338.31	7.68	-122.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1N1C=CC(C3CC3)=N1)C2	REAL300005663700	0	48	-2.0	-156.16	390.52	11.44	-144.72
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300005663701	0	44	-2.0	-133.17	345.95	9.93	-123.24
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C(Cl)=C1	REAL300005663702	0	40	-2.0	-128.15	348.87	9.88	-118.27
CC1=CC=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CC=C12	REAL300005663703	0	42	-2.0	-139.85	336.76	9.66	-130.19
CCCN1C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663704	0	40	-2.0	-137.18	330.63	7.79	-129.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C2	REAL300005663705	0	38	-2.0	-124.73	331.52	7.61	-117.12
CCC(C)N1N=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663706	0	43	-2.0	-129.21	338.40	7.78	-121.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC3=CC=C(F)C=C31)C2	REAL300005663707	0	39	-2.0	-140.86	328.54	8.43	-132.43
COC1=C(Br)C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663708	0	38	-2.0	-130.44	336.54	8.58	-121.86
C[C@H](CC(F)(F)F)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663709	0	36	-2.0	-128.76	301.01	6.86	-121.90
CCN1C=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663710	0	38	-2.0	-134.35	305.43	8.14	-126.21
CC1=C(O)C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300005663711	0	41	-2.0	-130.86	331.52	5.98	-124.88
CCC(=O)N1CSC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663712	0	42	-2.0	-140.86	349.43	8.24	-132.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@@H]3[C@H](C1)C3(F)F)C2	REAL300005663713	0	38	-2.0	-124.58	314.04	8.14	-116.44
CC(C)OC1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005663714	0	44	-2.0	-137.77	366.69	9.31	-128.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(CCCC3)O1)C2	REAL300005663715	0	41	-2.0	-131.47	330.25	8.92	-122.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=CNN=C3)C=C1)C2	REAL300005663716	0	41	-2.0	-134.93	339.53	7.66	-127.27
CC1=CC(F)=CC=C1C(O)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663717	0	41	-2.0	-126.78	336.48	6.62	-120.16
COCC1=NOC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663718	0	37	-2.0	-129.41	314.98	5.18	-124.23
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC12CCOCC2	REAL300005663719	0	43	-2.0	-136.43	347.67	6.82	-129.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C2	REAL300005663720	0	44	-2.0	-131.62	355.36	7.16	-124.46
COC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300005663721	0	43	-2.0	-148.12	359.30	7.92	-140.20
N#CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC12CCC2	REAL300005663722	0	39	-2.0	-138.66	320.38	8.41	-130.25
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)(F)F)CC3(CCC3)C1)C2	REAL300005663723	0	44	-2.0	-129.94	349.45	9.19	-120.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(F)(F)C1=CC=CN=C1)C2	REAL300005663724	0	36	-2.0	-128.91	311.31	7.06	-121.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(C1)CCOC3)C2	REAL300005663725	0	42	-2.0	-127.89	335.51	7.01	-120.88
COCC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005663726	0	48	-2.0	-128.49	361.07	6.31	-122.18
CCC(O)(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005663727	0	44	-2.0	-129.05	345.16	7.17	-121.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3CCCC3=N1)C2	REAL300005663728	0	40	-2.0	-136.74	324.61	8.76	-127.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(OC3=CC=CC=N3)C=C1)C2	REAL300005663729	0	44	-2.0	-134.18	369.36	8.10	-126.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=C1CCCC3)C2	REAL300005663730	0	41	-2.0	-132.00	323.52	8.51	-123.49
CC(C)(C)C1=NOC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663731	0	42	-2.0	-130.58	342.69	7.94	-122.64
CCC1(CC)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663732	0	46	-2.0	-132.25	350.96	9.37	-122.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=C1Cl)OCO3)C2	REAL300005663733	0	37	-2.0	-130.97	323.13	6.98	-123.99
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C2CCCCN21	REAL300005663734	0	50	-2.0	-145.82	378.35	10.17	-135.65
CC1=NC2=NC=NN2C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663735	0	38	-2.0	-125.74	327.84	9.60	-116.14
CC1(C)[C@@H]2C[C@@H](C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C[C@@H]21	REAL300005663736	0	44	-2.0	-133.65	341.57	9.13	-124.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C2	REAL300005663737	0	40	-2.0	-137.97	332.66	8.44	-129.53
CC1=CC(C2CCC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663738	0	46	-2.0	-131.78	361.96	9.15	-122.63
CC(=O)N1CSC[C@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663739	0	39	-2.0	-141.31	328.86	7.10	-134.21
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COC1=CC=C(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1F	REAL300005663805	0	44	-2.0	-132.29	361.99	8.69	-123.60
COC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300005663806	0	41	-2.0	-127.39	336.92	8.22	-119.17
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CC(C)(C)C1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663810	0	49	-2.0	-132.77	353.33	9.37	-123.40
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CN1N=CC=C1C1=NNC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663837	0	41	-2.0	-131.86	342.26	5.52	-126.34
CC1=CC=C(C(=O)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663838	0	39	-2.0	-129.51	324.43	8.70	-120.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(=O)C1=CC=C(Cl)C=C1)C2	REAL300005663839	0	36	-2.0	-125.88	319.74	8.54	-117.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=NC=N1)C2	REAL300005663840	0	36	-2.0	-132.23	311.72	7.70	-124.53
CC(C)C1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300005663841	0	39	-2.0	-132.47	325.39	5.57	-126.90
CCC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOCC1	REAL300005663842	0	47	-2.0	-130.04	351.17	7.60	-122.44
CC(C)(C)OC1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C12CCC2	REAL300005663843	0	57	-2.0	-129.12	433.33	10.97	-118.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=COC3=C(F)C=C(F)C=C13)C2	REAL300005663844	0	37	-2.0	-126.87	320.78	8.39	-118.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CSC(CC(F)(F)F)=N1)C2	REAL300005663845	0	36	-2.0	-135.69	330.58	7.43	-128.26
CCC1=CC=CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C21	REAL300005663846	0	45	-2.0	-142.44	362.12	10.43	-132.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3(C(F)(F)F)CC3)C=C1)C2	REAL300005663847	0	44	-2.0	-131.14	372.17	10.41	-120.73
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCS(=O)(=O)CC1	REAL300005663848	0	43	-2.0	-138.17	332.63	4.22	-133.95
CC(F)(F)C1=CC=CC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663849	0	40	-2.0	-144.28	327.77	9.21	-135.07
C=CCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC=CC1	REAL300005663850	0	42	-2.0	-134.82	330.75	8.75	-126.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CON=C1C1CCC1)C2	REAL300005663851	0	40	-2.0	-125.55	324.30	8.08	-117.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C(F)CC1CCCC1)C2	REAL300005663852	0	43	-2.0	-128.96	339.39	9.24	-119.72
CC1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1C(F)(F)F	REAL300005663853	0	43	-2.0	-127.13	351.46	8.75	-118.38
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=C(F)C=C3)CCCC1)C2	REAL300005663854	0	50	-2.0	-141.22	384.45	11.67	-129.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCCC1CC(=O)CC3)C2	REAL300005663855	0	46	-2.0	-128.81	337.79	8.24	-120.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCO3)CC1)C2	REAL300005663856	0	42	-2.0	-137.25	331.50	7.34	-129.91
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3(C1)CCCO3)C2	REAL300005663857	0	42	-2.0	-127.42	327.92	6.90	-120.52
C[C@@H](CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005663858	0	46	-2.0	-125.30	387.02	11.13	-114.17
C[C@@H](CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005663859	0	46	-2.0	-128.41	374.32	8.78	-119.63
COCC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CCC1	REAL300005663860	0	42	-2.0	-134.99	328.74	6.86	-128.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C(F)(F)F)CCCCO1)C2	REAL300005663861	0	41	-2.0	-131.28	320.65	7.10	-124.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C2	REAL300005663862	0	45	-2.0	-130.51	366.95	9.05	-121.46
CC1=NN(C(C)C)C(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663863	0	46	-2.0	-136.83	374.32	8.49	-128.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CON=C1C1CCCO1)C2	REAL300005663864	0	41	-2.0	-127.82	333.38	6.24	-121.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1CCCC3(CCC3)O1)C2	REAL300005663865	0	48	-2.0	-131.99	368.92	9.71	-122.28
COC1C[C@@H]2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C[C@H]12	REAL300005663866	0	45	-2.0	-134.36	345.85	7.89	-126.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1COCCN1CC(F)(F)F)C2	REAL300005663867	0	46	-2.0	-133.68	358.06	4.76	-128.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1CCC3=CC=CC=C31)C2	REAL300005663868	0	41	-2.0	-130.96	331.48	9.90	-121.06
CC1(C)C2CCC1(CC(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005663869	0	50	-2.0	-130.79	362.78	10.18	-120.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1C=C(C3CCOC3)C=N1)C2	REAL300005663870	0	45	-2.0	-143.75	370.80	6.59	-137.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CN=C3NC=C1)C2	REAL300005663871	0	37	-2.0	-136.94	314.62	7.46	-129.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CNC3=NC=C1)C2	REAL300005663871	1	37	-2.0	-139.78	308.37	7.03	-132.75
CC1=CC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C2O1	REAL300005663872	0	40	-2.0	-134.49	331.96	9.00	-125.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CCC3)CC1)C2	REAL300005663873	0	47	-2.0	-132.24	354.10	9.44	-122.80
CCC1=CC2=C(OCC2)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663874	0	45	-2.0	-137.50	362.46	9.23	-128.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CSC3=CC=C1)C2	REAL300005663875	0	37	-2.0	-138.26	316.73	9.08	-129.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C(F)(F)F)=CS1)C2	REAL300005663876	0	34	-2.0	-125.10	311.39	7.96	-117.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(OCC3CC3)=C1)C2	REAL300005663877	0	45	-2.0	-132.17	362.45	9.56	-122.61
CSC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(Cl)=C1	REAL300005663878	0	38	-2.0	-131.73	337.16	9.33	-122.40
CC(F)(F)C1=CC=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663879	0	40	-2.0	-130.99	332.62	9.28	-121.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3C=CSC3=C1)C2	REAL300005663880	0	37	-2.0	-131.85	316.26	9.10	-122.75
CN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300005663881	0	44	-2.0	-132.86	365.31	6.79	-126.07
CC1CCC(C)(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663882	0	43	-2.0	-132.74	323.15	8.39	-124.35
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=CO1	REAL300005663883	0	40	-2.0	-134.57	334.47	8.38	-126.19
CC1=NC=C2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2=N1	REAL300005663884	0	45	-2.0	-129.68	362.76	7.99	-121.69
CC1=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005663885	0	40	-2.0	-132.42	353.26	8.62	-123.80
COC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C)=N1	REAL300005663886	0	40	-2.0	-131.64	327.19	5.06	-126.58
CC1=CN(CC2=CC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2)N=C1	REAL300005663887	0	47	-2.0	-138.10	388.77	9.71	-128.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCCC1CCC3)C2	REAL300005663888	0	44	-2.0	-132.77	327.54	8.93	-123.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C2	REAL300005663889	0	48	-2.0	-130.00	359.99	9.63	-120.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C2	REAL300005663890	0	48	-2.0	-141.73	376.86	9.97	-131.76
CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCCNS1(=O)=O	REAL300005663891	0	42	-2.0	-131.54	329.58	2.49	-129.05
CCC1=NC=C2CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CCC2=N1	REAL300005663892	0	48	-2.0	-129.66	384.24	8.60	-121.06
CCSC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663893	0	37	-2.0	-130.74	309.09	7.70	-123.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1COCCO1)C2	REAL300005663894	0	39	-2.0	-133.09	313.99	5.88	-127.21
COCCC(C)(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663895	0	46	-2.0	-129.33	351.29	7.41	-121.92
CC(C)(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)(F)F	REAL300005663896	0	42	-2.0	-128.49	327.14	8.40	-120.09
CCC1(C)CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663897	0	43	-2.0	-129.33	334.51	8.96	-120.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC=CBr)C2	REAL300005663898	0	34	-2.0	-128.13	305.99	7.99	-120.14
CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(F)F	REAL300005663899	0	36	-2.0	-128.04	299.83	7.54	-120.50
CN1C=CC(C23CC(CC2)C3C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663900	0	48	-2.0	-143.32	382.37	9.32	-134.00
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C)C=N1	REAL300005663901	0	39	-2.0	-130.11	318.50	7.35	-122.76
CC1=CC(F)=CC(C(C)C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663902	0	43	-2.0	-127.50	352.17	10.09	-117.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC(C1=CC=CC=C1F)C(F)F)C2	REAL300005663903	0	43	-2.0	-132.52	358.77	10.29	-122.23
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3=CC=NN31)C2	REAL300005663904	0	41	-2.0	-130.78	334.52	7.20	-123.58
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663905	0	40	-2.0	-131.42	346.96	7.32	-124.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC(C3CC3(F)F)=C1)C2	REAL300005663906	0	41	-2.0	-130.71	339.27	9.94	-120.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3CCCC3=C1)C2	REAL300005663907	0	40	-2.0	-129.30	319.95	7.88	-121.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)COC1=CC=CC=C1C(F)F)C2	REAL300005663908	0	41	-2.0	-134.51	349.09	9.85	-124.66
CCOC1=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=NC=C1	REAL300005663909	0	43	-2.0	-136.99	363.67	7.64	-129.35
CC1(C)CCOC1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663910	0	44	-2.0	-134.90	340.17	7.83	-127.07
CC1=NC(C2CC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663911	0	42	-2.0	-129.76	342.62	8.07	-121.69
CCC1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005663912	0	41	-2.0	-127.44	334.29	7.00	-120.44
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663913	0	49	-2.0	-129.25	386.66	7.11	-122.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1CCC1)C2	REAL300005663914	0	43	-2.0	-129.18	341.42	9.59	-119.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CC1C1C3C1(F)F)C2	REAL300005663915	0	42	-2.0	-137.10	325.44	9.24	-127.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1C3CC1(C1=CN=CS1)CC3)C2	REAL300005663916	0	44	-2.0	-136.27	363.80	8.81	-127.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CC1)COCCO3)C2	REAL300005663917	0	49	-2.0	-131.06	364.02	7.04	-124.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1[C@H]3C[C@]1(C1=CC=CS1)CC3)C2	REAL300005663918	0	45	-2.0	-135.57	366.48	10.86	-124.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NN3CCNS(=O)(=O)C3=C1)C2	REAL300005663919	0	40	-2.0	-140.23	343.55	1.53	-138.70
CC1=NN(C2=CC=CC=C2C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663920	0	44	-2.0	-145.29	358.28	10.01	-135.28
CC1=NC=NC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663921	0	38	-2.0	-130.03	322.70	6.74	-123.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3=C(F)C=CC=C3Cl)CCC1)C2	REAL300005663922	0	44	-2.0	-137.97	357.99	10.31	-127.66
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663923	0	48	-2.0	-130.66	378.52	8.80	-121.86
CC12CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(C1)C1(CCC1)O2	REAL300005663924	0	46	-2.0	-126.13	356.05	7.52	-118.61
CC12CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(C1)C1(CCOCC1)O2	REAL300005663925	0	50	-2.0	-140.33	375.78	6.37	-133.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CC[C@H]3[C@@H](C1)C3(F)F)C2	REAL300005663926	0	41	-2.0	-130.51	331.24	8.99	-121.52
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C)=N1	REAL300005663927	0	38	-2.0	-130.45	317.70	7.26	-123.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC3=CC=C(F)C=C31)C2	REAL300005663928	0	37	-2.0	-136.80	316.63	7.05	-129.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=C(F)C=CC3=NN1)C2	REAL300005663928	1	37	-2.0	-127.29	313.35	7.01	-120.28
CC1=COC(C(C)C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663929	0	43	-2.0	-133.91	354.65	8.97	-124.94
COC1=CC=C(C23CC(CC2)C3C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663930	0	52	-2.0	-141.10	401.31	10.93	-130.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCOCC3)CCOCC1)C2	REAL300005663931	0	52	-2.0	-136.59	364.71	6.72	-129.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1C1CC1(F)F)C2	REAL300005663932	0	41	-2.0	-131.91	338.48	9.95	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=NN1C1CC1)C2	REAL300005663933	0	37	-2.0	-124.56	306.27	5.85	-118.71
CCC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005663934	0	40	-2.0	-129.07	350.88	7.70	-121.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=CC=CC(F)=C1)C2	REAL300005663935	0	38	-2.0	-128.69	335.14	9.49	-119.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC3=C(C=C(Br)O3)N1)C2	REAL300005663936	0	35	-2.0	-124.37	314.68	7.03	-117.34
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663937	0	45	-2.0	-131.28	375.04	8.39	-122.89
CCC1=NC(C)=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C)=N1	REAL300005663938	0	44	-2.0	-129.22	366.13	7.50	-121.72
CC(C)C1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005663939	0	43	-2.0	-131.25	372.74	9.34	-121.91
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005663940	0	40	-2.0	-139.96	352.58	8.75	-131.21
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=NS1	REAL300005663941	0	33	-2.0	-128.98	282.81	6.19	-122.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CC3)=NNC1=O)C2	REAL300005663942	0	40	-2.0	-126.69	345.42	5.63	-121.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(C3CCCCO3)CC1)C2	REAL300005663943	0	45	-2.0	-133.28	351.40	8.22	-125.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1(CC3=CC=C(F)C=C3)CCCO1)C2	REAL300005663944	0	48	-2.0	-135.01	377.68	10.27	-124.74
CC1=CC(C)=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC2=C1	REAL300005663945	0	44	-2.0	-128.64	356.08	9.63	-119.01
CC1=NC2=C(NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)S1	REAL300005663946	0	37	-2.0	-128.47	319.50	6.14	-122.33
CC1(C)OCC2=C1NN=C2C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663947	0	42	-2.0	-132.34	342.60	5.41	-126.93
CC1(C)OCC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NN=C21	REAL300005663947	1	42	-2.0	-126.28	338.25	5.27	-121.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CN=CC=N1)C2	REAL300005663948	0	36	-2.0	-132.68	311.59	6.04	-126.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CCOCC3)=NN1)C2	REAL300005663949	0	45	-2.0	-125.77	356.26	6.09	-119.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN(C3CCCC3)N=C1)C2	REAL300005663950	0	44	-2.0	-132.45	346.09	8.17	-124.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NOC3=C1CC(F)(F)CC3)C2	REAL300005663951	0	40	-2.0	-134.67	338.96	8.24	-126.43
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCN1C=CC3=CC=CN=C31)C2	REAL300005663952	0	43	-2.0	-128.82	362.58	10.06	-118.76
CCCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005663953	0	39	-2.0	-136.98	333.06	7.81	-129.17
CC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1Cl	REAL300005663954	0	37	-2.0	-123.38	329.40	6.96	-116.42
CC(C)(C)C1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663955	0	44	-2.0	-130.17	351.00	8.49	-121.68
COC1=CC=C2C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)NC2=N1	REAL300005663956	0	41	-2.0	-133.80	341.15	5.98	-127.82
CC(C)(C)C1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CN1	REAL300005663957	0	43	-2.0	-142.25	346.46	7.68	-134.57
CC(C)(C)C1=NC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663957	1	43	-2.0	-125.96	344.14	7.54	-118.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCC3=CC=CC=C31)C2	REAL300005663958	0	41	-2.0	-130.14	336.96	9.59	-120.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C3CCOC3=C1)C2	REAL300005663959	0	39	-2.0	-132.31	314.02	7.52	-124.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC1C[C@@H]3COC[C@H]13)C2	REAL300005663960	0	42	-2.0	-128.63	330.50	7.22	-121.41
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663961	0	47	-2.0	-130.83	385.79	11.62	-119.21
COC1=CC=C(C(C)=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005663962	0	45	-2.0	-131.11	368.89	9.53	-121.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CSC1=CC=CC(Cl)=C1)C2	REAL300005663963	0	38	-2.0	-128.38	345.46	9.93	-118.45
COCC1=CN=C(OC)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663964	0	44	-2.0	-132.33	364.75	5.27	-127.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CN1N=NC(C3CC3)=N1)C2	REAL300005663965	0	39	-2.0	-128.37	337.19	6.39	-121.98
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3OC=CC3=CC=C1Cl)C2	REAL300005663966	0	37	-2.0	-138.33	332.53	8.90	-129.43
COC1=CC2=C(OCC2)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005663967	0	43	-2.0	-133.91	349.09	7.09	-126.82
CCN1C=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005663968	0	36	-2.0	-140.38	303.13	7.82	-132.56
C=C(Cl)CCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663969	0	34	-2.0	-127.05	301.53	7.81	-119.24
CC(CC1CCC1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663970	0	43	-2.0	-125.63	335.38	9.16	-116.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300005663971	0	34	-3.0	-194.76	321.89	7.59	-187.17
CCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005663972	0	38	-2.0	-128.64	310.31	7.46	-121.18
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=CC=C(F)C=C12	REAL300005663973	0	41	-2.0	-126.59	336.58	8.98	-117.61
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663974	0	41	-2.0	-129.30	349.79	9.97	-119.33
C[C@H](C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005663975	0	43	-2.0	-128.26	352.18	8.02	-120.24
CC1=CN(C2=CC=CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)N=C1	REAL300005663976	0	44	-2.0	-137.38	359.60	9.62	-127.76
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663977	0	43	-2.0	-128.90	359.91	10.19	-118.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=CC(F)=CC=C31)C2	REAL300005663978	0	40	-2.0	-130.06	333.36	10.23	-119.83
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3OC=CC3=C1)C2	REAL300005663979	0	36	-2.0	-129.72	300.49	5.00	-124.72
C=CCC(C)(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663980	0	43	-2.0	-128.66	332.55	8.95	-119.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=NN1C1CC1(F)F)C2	REAL300005663981	0	38	-2.0	-132.60	323.37	7.45	-125.15
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(CC2=CC=CC=C2)N1	REAL300005663982	0	51	-2.0	-137.62	409.01	11.40	-126.22
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1	REAL300005663983	0	47	-2.0	-133.83	367.82	8.41	-125.42
CCC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCC1	REAL300005663984	0	46	-2.0	-129.86	349.98	9.82	-120.04
CCOC1=CC=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005663985	0	48	-2.0	-129.53	381.56	9.12	-120.41
CCC1=CC=C2NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C(C)C2=C1	REAL300005663986	0	47	-2.0	-130.56	373.03	10.35	-120.21
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=CC(C)=CC(C)=C21	REAL300005663987	0	47	-2.0	-132.05	366.23	10.04	-122.01
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=CC=C(C(C)C)C=C21	REAL300005663988	0	50	-2.0	-130.33	390.20	10.82	-119.51
COC1=CC=CC(Br)=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663989	0	38	-2.0	-138.02	337.44	7.92	-130.10
CC1=CC(CC2(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)CC2)=CC=C1F	REAL300005663990	0	47	-2.0	-134.56	386.80	11.30	-123.26
CC1=CC(F)=CC=C1CC1(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663991	0	47	-2.0	-140.12	375.44	11.02	-129.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C2	REAL300005663992	0	47	-2.0	-137.68	367.19	10.87	-126.81
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CC4(C(=O)[O-])CCC4(C(=O)[O-])C1)(C2)C3	REAL300005663993	0	55	-2.0	-131.18	394.68	6.95	-124.23
CC1=NC=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663994	0	40	-2.0	-130.87	332.07	8.15	-122.72
CC1=CN=CC=C1C=CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663995	0	40	-2.0	-130.28	332.23	8.18	-122.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C=CC1=CC=NC3=CC=CC=C13)C2	REAL300005663996	0	43	-2.0	-132.24	358.11	9.71	-122.53
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663997	0	41	-2.0	-129.30	349.79	9.97	-119.33
CC(=CC1=CC=CS1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005663998	0	38	-2.0	-131.47	324.93	8.64	-122.83
NS(=O)(=O)C1CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CC1	REAL300005663999	0	45	-2.0	-142.29	363.60	2.75	-139.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=C3F)=NO1)C2	REAL300005664000	0	40	-2.0	-133.29	345.55	9.25	-124.04
COC1=CSC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1OC	REAL300005664001	0	39	-2.0	-130.75	332.10	6.93	-123.82
CSC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005664002	0	41	-2.0	-134.54	365.15	10.38	-124.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC3CCC(C3)C1)C2	REAL300005664003	0	44	-2.0	-127.17	327.34	8.94	-118.23
CC1=CC2=NC=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C2C=C1	REAL300005664004	0	42	-2.0	-128.80	341.99	8.81	-119.99
COC1=C(F)C=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1F	REAL300005664005	0	38	-2.0	-124.63	328.73	7.37	-117.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=CC(C3=COC=C3)=C1)C2	REAL300005664006	0	40	-2.0	-129.34	333.47	7.60	-121.74
CC1=CC=C(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005664007	0	39	-2.0	-138.69	315.55	8.13	-130.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)[C@H]1C[C@H](N3C=CN=N3)C1)C2	REAL300005664008	0	40	-2.0	-129.25	331.92	6.34	-122.91
CCCC1=CC=C(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300005664009	0	46	-2.0	-131.03	374.60	11.17	-119.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3=CC=CC=C3F)=NN1)C2	REAL300005664010	0	41	-2.0	-129.95	345.83	8.44	-121.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3=CC=CC=C3F)=C1)C2	REAL300005664010	1	41	-2.0	-134.66	352.69	8.35	-126.31
CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C(C)C1=CC=C(F)C=C1	REAL300005664011	0	46	-2.0	-132.19	370.42	10.54	-121.65
C=CC1(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CCOCC1	REAL300005664012	0	45	-2.0	-129.17	338.82	7.42	-121.75
CCCCC1=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300005664013	0	42	-2.0	-137.05	354.55	8.59	-128.46
CN1C=CC(N2C=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2)=N1	REAL300005664014	0	41	-2.0	-143.01	349.41	9.84	-133.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3C=CNC3=CN=C1)C2	REAL300005664015	0	37	-2.0	-140.35	308.60	6.05	-134.30
CC(=CC1=CC=C(F)C=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664016	0	41	-2.0	-130.01	344.78	9.96	-120.05
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)NC2=C(C)C=CC=C12	REAL300005664017	0	44	-2.0	-131.61	351.36	9.57	-122.04
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C2=CC=CC=C2)N1	REAL300005664018	0	45	-2.0	-138.64	364.24	9.91	-128.73
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C(C2=CC=CC=C2)N1	REAL300005664019	0	48	-2.0	-137.32	383.20	10.60	-126.72
CCCC1=CC=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300005664020	0	41	-2.0	-129.65	334.17	8.23	-121.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC=C1CC(F)(F)F)C2	REAL300005664021	0	40	-2.0	-139.66	337.35	9.46	-130.20
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C13CCOC1CCOC3)C2	REAL300005664022	0	43	-2.0	-131.24	322.72	4.86	-126.38
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CC(CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300005664220	0	43	-2.0	-130.32	357.75	10.29	-120.03
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CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664229	0	43	-2.0	-127.91	370.02	10.25	-117.66
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CN1C=C(C2=NC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CO2)C=N1	REAL300005664254	0	40	-2.0	-139.31	345.95	5.03	-134.28
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CC(C)(C)C1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005664258	0	45	-2.0	-135.95	354.67	9.22	-126.73
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CC(C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1)C1CCOC1	REAL300005664260	0	41	-2.0	-124.98	319.30	6.13	-118.85
CCCC(CCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664261	0	52	-2.0	-133.71	410.17	12.29	-121.42
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COC1CC2(C1)CCC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)CC2	REAL300005664263	0	51	-2.0	-132.76	387.56	8.41	-124.35
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CCC(CCC1=CC=CC=C1)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664266	0	49	-2.0	-131.24	382.96	11.39	-119.85
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CC1=CC=NC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005664270	0	36	-2.0	-136.67	299.36	7.55	-129.12
CN(C)C1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005664271	0	44	-2.0	-125.17	360.14	9.03	-116.14
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005664272	0	43	-2.0	-152.76	366.70	6.49	-146.27
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005664272	1	43	-2.0	-152.76	366.70	6.49	-146.27
CC1CCOC1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664273	0	41	-2.0	-134.46	319.49	7.29	-127.17
CC(C)(C)C1=CN=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005664274	0	45	-2.0	-127.99	350.79	8.31	-119.68
COC1CC(CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1(C)C	REAL300005664275	0	47	-2.0	-131.93	365.16	8.09	-123.84
N#CC1=CC=C(C2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CO2)C=C1	REAL300005664276	0	41	-2.0	-135.06	358.37	7.66	-127.40
CC(C)(C)C1=CC=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=NN21	REAL300005664277	0	48	-2.0	-144.71	376.28	9.18	-135.53
CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C	REAL300005664278	0	37	-2.0	-136.17	308.53	6.63	-129.54
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC3(CC3(F)F)C1)C2	REAL300005664279	0	41	-2.0	-132.42	336.39	8.73	-123.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCC3C1C3(F)F)C2	REAL300005664280	0	41	-2.0	-128.76	331.49	8.71	-120.05
C=C1CC2(C1)CC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)C2	REAL300005664281	0	42	-2.0	-128.45	338.01	9.55	-118.90
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664282	0	45	-2.0	-143.33	364.92	9.14	-134.19
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664283	0	52	-2.0	-130.07	357.70	10.43	-119.64
CC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(C(F)F)=NN1C	REAL300005664284	0	40	-2.0	-144.49	344.63	7.18	-137.31
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(C3CCCC3)=NN1)C2	REAL300005664285	0	44	-2.0	-134.64	349.51	8.03	-126.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=NNC(C3CCCC3)=C1)C2	REAL300005664285	1	44	-2.0	-134.64	349.51	8.03	-126.61
COC1=CC=CC=C1OC(C)C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664286	0	45	-2.0	-134.29	362.01	9.02	-125.27
CC1=C(Cl)C=NN1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664287	0	37	-2.0	-137.66	332.02	6.90	-130.76
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N2C=C(C)SC2=N1	REAL300005664288	0	43	-2.0	-129.74	371.13	9.86	-119.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCC(C3CCCO3)O1)C2	REAL300005664289	0	46	-2.0	-136.90	363.75	7.41	-129.49
CN1N=NC2=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC=C21	REAL300005664290	0	39	-2.0	-151.62	326.16	6.41	-145.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN=C3OCCCC3=C1)C2	REAL300005664291	0	41	-2.0	-128.94	328.05	5.31	-123.63
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CC1=CC2=C(C=C(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)S2)S1	REAL300005664293	0	37	-2.0	-131.11	329.48	9.15	-121.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CC13CCC(CC1)C3)C2	REAL300005664294	0	44	-2.0	-130.12	334.42	9.12	-121.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CC=CC3=CC=CC=C31)C2	REAL300005664295	0	42	-2.0	-132.72	341.95	10.31	-122.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC(Cl)=CS1)C2	REAL300005664296	0	31	-2.0	-121.89	293.34	6.98	-114.91
CCCOCCCC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664297	0	43	-2.0	-130.82	348.73	7.58	-123.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CN3C=NN=C3C=N1)C2	REAL300005664298	0	35	-2.0	-131.51	299.63	8.22	-123.29
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664299	0	45	-2.0	-140.37	383.68	4.10	-136.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=CC3=NC=CC=C13)C2	REAL300005664300	0	39	-2.0	-130.22	321.56	8.25	-121.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=C3SC=CC3=CN=C1)C2	REAL300005664301	0	36	-2.0	-137.29	313.78	7.40	-129.89
CC(C)C(C)C(C)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664302	0	48	-2.0	-129.07	355.67	9.47	-119.60
COC1CC2(C1)CC(C(=O)N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)C2	REAL300005664303	0	45	-2.0	-129.15	363.04	7.85	-121.30
CC1=CC2=C(OCC2)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005664304	0	42	-2.0	-136.81	341.07	8.48	-128.33
CC(C)OCC1=CC=CC=C1CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664305	0	50	-2.0	-132.93	405.59	10.22	-122.71
CC1(C)CCC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)CO1	REAL300005664306	0	44	-2.0	-132.17	336.02	6.57	-125.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1CCCCC13CCC3)C2	REAL300005664307	0	47	-2.0	-130.46	344.38	10.07	-120.39
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CC12CC(C(=O)N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)(C1)CCO2	REAL300005664419	0	42	-2.0	-134.58	327.05	6.58	-128.00
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CC4(C(=O)[O-])CCC4(C(=O)[O-])C1)(C2)C3	REAL300005664420	0	54	-2.0	-128.68	390.07	10.33	-118.35
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COCC(C)(O)CC(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664463	0	41	-2.0	-129.28	327.16	4.87	-124.41
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CC1=CNC(C=CC(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300005664468	0	38	-2.0	-134.55	326.82	6.90	-127.65
CCC1=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=CS1	REAL300005664469	0	37	-2.0	-134.53	311.12	8.21	-126.32
CCCCN1C=C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300005664471	0	42	-2.0	-136.85	351.47	7.10	-129.75
CCCC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN1C	REAL300005664472	0	43	-2.0	-135.29	351.36	8.14	-127.15
CCCC1=NN(C)C(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300005664473	0	43	-2.0	-125.73	346.43	7.78	-117.95
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CC(C)CC1=CC(C(=O)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300005664476	0	42	-2.0	-134.58	342.31	8.46	-126.12
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CC(C)(C)C1=CC=CN=C1C(=O)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300005664495	0	45	-2.0	-137.23	339.51	9.08	-128.15
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CC1(C)CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])CCO1	REAL300005673319	0	38	-2.0	-103.20	309.65	5.52	-97.68
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=CC(Cl)=C1[O-]	REAL300005673323	1	45	-2.0	-105.60	360.73	6.57	-99.03
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=N2)C=C1	REAL300005673329	0	49	-2.0	-137.10	383.91	5.60	-131.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=CO1	REAL300005673344	1	42	-2.0	-107.97	345.65	0.82	-107.15
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CCO1	REAL300005673478	0	41	-2.0	-92.82	329.40	3.68	-89.14
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CCO1	REAL300005673478	1	41	-2.0	-92.77	329.47	3.69	-89.08
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C(=O)[N-]1	REAL300005673731	1	43	-2.0	-111.14	334.96	2.19	-108.95
CC1(C)CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])CCO1	REAL300005673774	1	46	-2.0	-110.75	348.39	5.04	-105.71
CC1(C)CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])CCO1	REAL300005674012	0	38	-2.0	-120.42	324.27	7.16	-113.26
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=C1	REAL300005675121	0	40	-2.0	-100.86	355.91	3.89	-96.97
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005675410	0	40	-2.0	-101.84	356.00	4.11	-97.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)O1	REAL300005675854	1	34	-2.0	-86.24	326.97	-0.09	-86.33
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005676109	0	37	-2.0	-100.41	334.53	3.21	-97.20
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC(=O)[O-])C(F)(F)F)=CS1	REAL300005676446	1	41	-2.0	-101.49	368.72	4.32	-97.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005676670	0	37	-2.0	-93.66	340.93	3.28	-90.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C(F)(F)F	REAL300005676675	0	43	-2.0	-102.35	377.50	4.90	-97.45
O=C([O-])CC(CNC(=O)C1=CC=C([O-])C(F)=C1)C(F)(F)F	REAL300005677801	1	30	-2.0	-90.18	280.33	4.14	-86.04
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300005677921	0	36	-2.0	-92.17	335.58	2.24	-89.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N2)=C1	REAL300005678014	0	46	-2.0	-114.99	395.17	7.28	-107.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N2)C=C1	REAL300005678015	0	46	-2.0	-113.62	395.09	7.28	-106.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N1	REAL300005678109	0	40	-2.0	-110.24	361.75	6.42	-103.82
O=C([O-])CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(F)(F)F	REAL300005678114	0	37	-2.0	-111.34	341.31	5.43	-105.91
O=C([O-])CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(F)(F)F	REAL300005678155	1	35	-2.0	-114.54	314.48	6.31	-108.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N2)=C1	REAL300005678318	0	40	-2.0	-118.05	359.65	6.01	-112.04
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N1	REAL300005678319	0	43	-2.0	-116.46	376.25	7.20	-109.26
O=C([O-])CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005678458	0	30	-2.0	-86.12	296.34	4.72	-81.40
COC1=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)NC(=O)[N-]C1=O	REAL300005678475	1	33	-2.0	-88.29	302.44	-0.20	-88.49
O=C([O-])CC(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300005678574	0	33	-2.0	-94.06	299.25	3.00	-91.06
O=C([O-])CC(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300005678574	1	33	-2.0	-94.07	299.31	3.02	-91.05
O=C([O-])CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005678611	0	30	-2.0	-87.20	290.13	4.64	-82.56
CCOC1=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=CC(Cl)=C1[O-]	REAL300005678615	1	37	-2.0	-90.51	341.18	5.68	-84.83
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=N2)C=C1	REAL300005678625	0	41	-2.0	-113.48	364.39	4.66	-108.82
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC(=O)[O-])C(F)(F)F)=CO1	REAL300005678649	1	34	-2.0	-91.59	326.10	-0.11	-91.70
O=C([O-])CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300005678812	0	33	-2.0	-81.27	309.87	2.79	-78.48
O=C([O-])CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300005678812	1	33	-2.0	-81.21	309.94	2.79	-78.42
COCC1=NC=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C(=O)[N-]1	REAL300005679145	1	35	-2.0	-93.78	314.97	1.41	-92.37
O=C([O-])CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)(F)F	REAL300005679512	0	30	-2.0	-97.84	304.74	6.72	-91.12
CC1=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C(=O)NC(C2=CC=CO2)=N1	REAL300005679819	0	38	-2.0	-98.65	338.89	3.80	-94.85
CC1=C(C(=O)NCC(CC(=O)[O-])C(F)(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005679819	1	38	-2.0	-98.65	338.89	3.80	-94.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300005681570	1	44	-2.0	-91.03	394.42	3.49	-87.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005681763	0	47	-2.0	-118.17	402.87	7.10	-111.07
CC1=C(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005682311	1	53	-2.0	-101.92	426.18	8.27	-93.65
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005683324	1	40	-2.0	-103.52	348.66	8.05	-95.47
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005683337	1	43	-2.0	-123.75	377.88	10.69	-113.06
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300005683393	0	40	-2.0	-94.71	345.22	5.77	-88.94
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300005683393	1	40	-2.0	-94.72	345.28	5.79	-88.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300005683474	0	46	-2.0	-98.93	403.02	5.82	-93.11
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005683505	1	45	-2.0	-100.62	381.25	7.26	-93.36
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300005683544	1	39	-2.0	-108.59	337.48	6.15	-102.44
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005683656	0	47	-2.0	-134.85	409.46	9.42	-125.43
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005683703	1	45	-2.0	-125.08	381.93	9.86	-115.22
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005683993	0	40	-2.0	-100.90	364.72	8.60	-92.30
COC1=C(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005684012	1	43	-2.0	-103.45	366.22	3.86	-99.59
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300005684109	0	43	-2.0	-107.15	367.41	6.89	-100.26
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300005684109	1	43	-2.0	-107.15	367.47	6.91	-100.24
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005684145	0	40	-2.0	-101.21	358.46	8.53	-92.68
CCOC1=CC(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005684149	1	47	-2.0	-105.79	409.61	9.55	-96.24
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])=CO1	REAL300005684182	1	44	-2.0	-106.28	394.26	3.80	-102.48
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005684344	0	43	-2.0	-87.76	377.33	6.35	-81.41
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005684344	1	43	-2.0	-87.70	377.39	6.36	-81.34
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300005684624	0	38	-2.0	-103.49	329.79	6.56	-96.93
COCC1=NC=C(C(=O)N[C@H](CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]1	REAL300005684657	1	45	-2.0	-113.70	378.44	5.83	-107.87
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005684705	1	48	-2.0	-100.69	397.00	7.81	-92.88
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005685010	0	40	-2.0	-109.25	372.19	10.29	-98.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300005686723	1	44	-2.0	-91.31	394.68	3.47	-87.84
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300005686916	0	47	-2.0	-111.34	402.24	6.77	-104.57
CC1=C(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005687464	1	53	-2.0	-114.54	423.36	9.20	-105.34
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005688477	1	40	-2.0	-103.10	348.92	7.98	-95.12
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005688490	1	43	-2.0	-119.05	379.25	10.50	-108.55
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300005688546	0	40	-2.0	-98.79	346.35	6.04	-92.75
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300005688546	1	40	-2.0	-98.75	346.41	6.05	-92.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300005688627	0	46	-2.0	-106.27	403.68	6.09	-100.18
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005688658	1	45	-2.0	-113.60	377.39	8.26	-105.34
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300005688697	1	39	-2.0	-106.88	337.77	6.11	-100.77
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005688809	0	47	-2.0	-131.32	409.90	9.27	-122.05
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005688856	1	45	-2.0	-125.09	382.19	9.87	-115.22
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005689146	0	40	-2.0	-100.01	364.92	8.54	-91.47
COC1=C(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005689165	1	43	-2.0	-104.22	366.14	3.83	-100.39
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300005689262	0	43	-2.0	-105.43	366.99	6.54	-98.89
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300005689262	1	43	-2.0	-105.45	367.05	6.56	-98.89
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005689298	0	40	-2.0	-100.63	358.72	8.47	-92.16
CCOC1=CC(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005689302	1	47	-2.0	-105.38	409.76	9.52	-95.86
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])=CO1	REAL300005689335	1	44	-2.0	-104.16	394.06	3.73	-100.43
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005689497	0	43	-2.0	-87.82	377.59	6.34	-81.48
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005689497	1	43	-2.0	-87.81	377.66	6.35	-81.46
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300005689777	0	38	-2.0	-103.37	329.91	6.55	-96.82
COCC1=NC=C(C(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]1	REAL300005689810	1	45	-2.0	-112.82	379.20	5.90	-106.92
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005689858	1	48	-2.0	-113.86	393.13	8.80	-105.06
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005690163	0	40	-2.0	-114.99	373.32	10.54	-104.45
CC1=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005691305	1	48	-2.0	-113.03	397.66	5.78	-107.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=C1	REAL300005691665	1	38	-2.0	-117.41	339.82	3.58	-113.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300005691978	1	38	-2.0	-118.79	339.89	3.81	-114.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1	REAL300005692027	1	40	-2.0	-126.39	362.28	8.74	-117.65
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005692477	1	41	-2.0	-96.12	366.31	2.04	-94.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)O1	REAL300005692478	1	32	-2.0	-95.75	310.86	-0.38	-96.13
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=C1	REAL300005692711	0	42	-2.0	-124.87	374.22	1.82	-123.05
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005692756	0	35	-2.0	-117.34	318.43	2.91	-114.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=NN2C)=CS1	REAL300005693131	1	39	-2.0	-122.84	352.66	4.03	-118.81
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005693365	0	35	-2.0	-109.51	324.84	2.97	-106.54
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005693371	1	41	-2.0	-124.48	362.58	4.17	-120.31
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300005693376	1	41	-2.0	-119.31	361.39	4.60	-114.71
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005693446	1	41	-2.0	-100.00	343.25	4.41	-95.59
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005694175	0	41	-2.0	-123.10	364.31	5.17	-117.93
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005694367	1	31	-2.0	-119.84	294.56	6.27	-113.57
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005694465	0	34	-2.0	-104.34	319.48	1.94	-102.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005694495	1	33	-2.0	-99.48	297.31	3.35	-96.13
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)=C1	REAL300005694550	0	44	-2.0	-127.12	379.07	6.97	-120.15
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)C=C1	REAL300005694551	0	44	-2.0	-126.42	379.00	6.97	-119.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=N1	REAL300005694625	0	38	-2.0	-123.86	341.13	6.05	-117.81
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005694629	0	35	-2.0	-125.49	325.22	5.12	-120.37
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005694653	0	33	-2.0	-127.82	298.38	5.89	-121.93
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005694672	0	35	-2.0	-102.35	340.70	3.25	-99.10
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005694721	0	27	-2.0	-103.54	279.94	2.96	-100.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)=C1	REAL300005694783	0	38	-2.0	-131.24	343.56	5.70	-125.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=N1	REAL300005694784	0	41	-2.0	-129.09	353.09	6.84	-122.25
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005694841	1	41	-2.0	-123.17	362.77	4.16	-119.01
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005694881	0	28	-2.0	-100.54	280.24	4.40	-96.14
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C)=CC(Cl)=C1[O-]	REAL300005694993	1	35	-2.0	-104.04	325.08	5.38	-98.66
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005694997	0	38	-2.0	-129.00	348.71	6.48	-122.52
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)C=C1	REAL300005695005	0	39	-2.0	-126.44	348.29	4.35	-122.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C)=CO1	REAL300005695026	1	32	-2.0	-111.45	310.01	-0.41	-111.86
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300005695096	0	36	-2.0	-110.74	322.44	8.27	-102.47
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300005695096	1	36	-2.0	-110.68	322.49	8.28	-102.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005695152	0	31	-2.0	-94.27	293.84	2.49	-91.78
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005695152	1	31	-2.0	-94.30	293.77	2.48	-91.82
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]1	REAL300005695418	1	33	-2.0	-99.32	299.15	1.01	-98.31
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005695455	1	36	-2.0	-99.42	313.06	3.90	-95.52
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005695711	0	28	-2.0	-114.91	288.64	6.31	-108.60
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005695968	0	36	-2.0	-103.15	323.05	3.49	-99.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)O1	REAL300005697280	1	39	-2.0	-101.52	343.06	3.50	-98.02
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300005697726	1	46	-2.0	-133.39	387.82	7.97	-125.42
COC1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C([O-])=C1	REAL300005698337	1	39	-2.0	-143.98	317.90	7.70	-136.28
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2=C1	REAL300005698759	1	35	-2.0	-109.32	297.12	7.28	-102.04
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2=C1	REAL300005698770	1	38	-2.0	-133.62	327.13	9.59	-124.03
O=C([O-])C1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300005698798	0	35	-2.0	-108.76	296.63	5.76	-103.00
O=C([O-])C1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300005698798	1	35	-2.0	-108.76	296.69	5.77	-102.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300005698867	0	41	-2.0	-110.36	352.38	5.31	-105.05
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2=C1	REAL300005698891	1	40	-2.0	-115.85	331.71	6.80	-109.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300005699005	0	45	-2.0	-141.07	379.83	10.25	-130.82
O=C([O-])C1=CC=C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2=C1	REAL300005699036	0	40	-2.0	-146.10	330.28	10.25	-135.85
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC4=CC=C(C(=O)[O-])C=C43)=N2)=C1	REAL300005699167	0	45	-2.0	-150.18	376.25	9.87	-140.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300005699168	0	48	-2.0	-139.43	397.54	10.35	-129.08
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2=C1	REAL300005699277	0	35	-2.0	-107.80	312.53	7.90	-99.90
O=C([O-])C1=CC=C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300005699360	0	38	-2.0	-124.19	318.13	6.54	-117.65
O=C([O-])C1=CC=C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300005699360	1	38	-2.0	-124.22	318.19	6.55	-117.67
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2=C1	REAL300005699390	0	35	-2.0	-107.35	306.92	7.76	-99.59
CCOC1=CC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1[O-]	REAL300005699394	1	42	-2.0	-112.20	357.39	8.87	-103.33
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC4=CC=C(C(=O)[O-])C=C43)=N2)C=C1	REAL300005699399	0	46	-2.0	-144.00	380.30	8.46	-135.54
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)=CO1	REAL300005699415	1	39	-2.0	-118.50	341.46	3.24	-115.26
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300005699548	0	38	-2.0	-99.73	325.83	6.85	-92.88
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300005699548	1	38	-2.0	-99.75	325.89	6.85	-92.90
COCC1=NC=C(C(=O)N2CCCC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]1	REAL300005699803	1	40	-2.0	-115.00	333.81	4.38	-110.62
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2=C1	REAL300005699845	1	43	-2.0	-113.73	346.68	7.13	-106.60
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2=C1	REAL300005700079	0	35	-2.0	-128.96	322.03	9.44	-119.52
CC1=C(CCC(=O)NCC[C@H](O)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005700766	1	48	-2.0	-96.69	394.68	2.52	-94.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC[C@H](O)C(=O)[O-])=C1	REAL300005701087	0	38	-2.0	-97.45	336.83	0.35	-97.10
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005701339	1	42	-2.0	-94.66	382.62	2.60	-92.06
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005701380	0	38	-2.0	-98.44	336.91	0.57	-97.87
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC[C@H](O)C(=O)[O-])C=C1	REAL300005701421	1	40	-2.0	-103.43	359.27	5.49	-97.94
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005701470	1	42	-2.0	-88.91	382.39	2.62	-86.29
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=C1	REAL300005701472	1	45	-2.0	-91.78	396.06	3.32	-88.46
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005701590	1	42	-2.0	-95.25	376.00	2.55	-92.70
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005701591	1	42	-2.0	-98.71	376.17	2.55	-96.16
CC1=CC(C(=O)NCC[C@H](O)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005701604	0	38	-2.0	-80.59	357.42	0.73	-79.86
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=C2)C=C1	REAL300005701732	1	45	-2.0	-92.47	397.57	3.23	-89.24
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005701816	0	39	-2.0	-95.26	367.92	1.56	-93.70
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])O1	REAL300005701833	1	41	-2.0	-88.66	362.65	-1.19	-89.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])O1	REAL300005701834	1	32	-2.0	-88.05	307.89	-3.63	-91.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC[C@H](O)C(=O)[O-])=C2)C=C1	REAL300005701951	1	45	-2.0	-101.21	397.59	3.21	-98.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC[C@H](O)C(=O)[O-])=C2)=C1	REAL300005701991	1	45	-2.0	-101.64	397.60	3.21	-98.43
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC[C@H](O)C(=O)[O-])=C1	REAL300005702062	0	42	-2.0	-103.39	371.69	-1.45	-104.84
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005702111	0	35	-2.0	-97.03	315.44	-0.33	-97.36
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005702118	0	39	-2.0	-97.11	368.11	1.55	-95.56
O=C([O-])[C@@H](O)CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005702119	0	42	-2.0	-103.95	392.76	2.23	-101.72
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC[C@H](O)C(=O)[O-])=CS1	REAL300005702437	1	39	-2.0	-97.94	349.62	0.77	-97.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005702618	0	35	-2.0	-91.35	321.85	-0.26	-91.61
CC1=C(CC(=O)NCC[C@H](O)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005702626	1	41	-2.0	-103.47	360.48	0.97	-102.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005702631	0	41	-2.0	-98.96	358.40	1.36	-97.60
CC1=C(C(=O)NCC[C@H](O)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005702684	1	41	-2.0	-93.95	339.80	1.15	-92.80
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005702789	1	42	-2.0	-91.78	376.16	2.55	-89.23
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC[C@H](O)C(=O)[O-]	REAL300005703229	0	41	-2.0	-101.90	361.33	1.92	-99.98
O=C([O-])[C@@H](O)CCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005703313	0	28	-2.0	-82.90	295.83	1.86	-81.04
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005703366	1	31	-2.0	-97.68	291.59	3.15	-94.53
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC[C@H](O)C(=O)[O-])C=N1	REAL300005703443	0	34	-2.0	-92.60	316.49	-1.30	-93.90
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005703499	1	41	-2.0	-88.17	371.20	0.77	-87.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC[C@H](O)C(=O)[O-])=N2)=C1	REAL300005703514	0	44	-2.0	-110.08	376.09	3.74	-106.34
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC[C@H](O)C(=O)[O-])=N2)C=C1	REAL300005703515	0	44	-2.0	-108.81	376.02	3.74	-105.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC[C@H](O)C(=O)[O-])=N1	REAL300005703573	0	38	-2.0	-105.84	343.58	2.85	-102.99
O=C([O-])[C@@H](O)CCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005703576	0	35	-2.0	-106.62	322.24	1.89	-104.73
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005703604	0	35	-2.0	-83.52	337.71	-0.02	-83.54
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O=C([O-])CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300005719623	1	33	-2.0	-98.67	313.79	2.02	-96.65
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300005719661	0	30	-2.0	-97.11	304.58	3.64	-93.47
CCOC1=CC(C(=O)NCC2=NC(CC(=O)[O-])=CS2)=CC(Cl)=C1[O-]	REAL300005719665	1	37	-2.0	-101.68	355.62	4.70	-96.98
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(CC(=O)[O-])=CS3)=N2)C=C1	REAL300005719675	0	41	-2.0	-118.89	378.84	3.67	-115.22
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(CC(=O)[O-])=CS2)=CO1	REAL300005719699	1	34	-2.0	-98.63	340.54	-1.09	-99.72
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300005719862	0	33	-2.0	-93.95	324.31	1.81	-92.14
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300005719862	1	33	-2.0	-93.98	324.38	1.81	-92.17
COCC1=NC=C(C(=O)NCC2=NC(CC(=O)[O-])=CS2)C(=O)[N-]1	REAL300005720192	1	35	-2.0	-107.81	329.66	0.32	-107.49
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O=C([O-])CC1=CSC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300005720559	0	30	-2.0	-101.33	319.19	5.74	-95.59
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005723516	1	37	-2.0	-102.39	346.21	7.84	-94.55
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300005723568	0	37	-2.0	-98.98	343.91	5.82	-93.16
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300005723568	1	37	-2.0	-98.99	343.97	5.83	-93.16
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005723631	1	42	-2.0	-122.63	370.87	8.63	-114.00
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CN=CC([O-])=C1	REAL300005723647	1	36	-2.0	-106.52	335.06	5.93	-100.59
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005723725	1	42	-2.0	-137.26	372.66	10.15	-127.11
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005723922	0	37	-2.0	-97.06	353.06	8.48	-88.58
COC1=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005723935	1	40	-2.0	-97.66	359.28	3.62	-94.04
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300005723994	0	40	-2.0	-107.59	365.41	6.59	-101.00
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300005723994	1	40	-2.0	-107.60	365.47	6.61	-100.99
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005724019	0	37	-2.0	-100.43	356.25	8.26	-92.17
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005724127	0	40	-2.0	-91.45	368.89	6.60	-84.85
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005724127	1	40	-2.0	-91.46	368.94	6.62	-84.84
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=C[N-]N=CC1=O	REAL300005724277	0	35	-2.0	-103.61	327.22	6.38	-97.23
COCC1=NC=C(C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C(=O)[N-]1	REAL300005724293	1	42	-2.0	-119.82	372.96	6.22	-113.60
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005724325	1	45	-2.0	-121.72	386.26	9.07	-112.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1	REAL300005725471	0	43	-2.0	-111.70	374.89	3.14	-108.56
CC(C)S(=O)(=O)C=C([O-])N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005725516	1	37	-2.0	-115.09	324.02	1.35	-113.74
O=C([O-])C1CCS(=O)(=NC([O-])=C2CCN(C3=CC=C(F)C=C3)C2=O)CC1	REAL300005725532	0	43	-2.0	-114.32	363.66	5.78	-108.54
O=C([O-])C1CCS(=O)(=NC([O-])=C2CCN(C3=CC=C(Cl)C=C3)C2=O)CC1	REAL300005725533	0	43	-2.0	-114.40	373.97	6.23	-108.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005725740	1	43	-2.0	-112.02	372.36	3.31	-108.71
CC(C)OCCS(=O)(=O)[N-]CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005725937	1	46	-2.0	-104.70	398.61	-0.18	-104.88
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC3=CC=CC([N+](=O)[O-])=C3[N-]2)CC1	REAL300005725983	1	38	-2.0	-103.58	343.85	5.64	-97.94
CCCS(=O)(=O)C=C([O-])N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005726064	0	37	-2.0	-117.83	326.09	1.46	-116.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)O1	REAL300005726162	1	37	-2.0	-104.46	341.85	-0.94	-105.40
CC1=CC([N-]C(=O)C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=NO1	REAL300005726167	1	35	-2.0	-120.95	315.04	1.85	-119.10
O=C([O-])C1CCS(=O)(=NC([O-])=CS(=O)(=O)C2CCCC2)CC1	REAL300005726351	1	41	-2.0	-117.21	348.50	2.69	-114.52
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005726405	0	40	-2.0	-110.50	350.90	2.41	-108.09
CC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C([O-])=C1	REAL300005726436	0	36	-2.0	-121.94	309.86	5.24	-116.70
CCS(=O)(=O)C=C([O-])N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005726529	1	34	-2.0	-114.78	305.08	0.67	-114.11
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC([N+](=O)[O-])=C[N-]2)CC1	REAL300005726592	1	32	-2.0	-91.84	297.15	3.32	-88.52
CCCCCS(=O)(=O)C=C([O-])N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005726706	0	43	-2.0	-115.00	369.58	3.03	-111.97
CC(C)C(=O)[N-]C1=NC(CC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CS1	REAL300005726739	1	44	-2.0	-108.12	385.89	3.57	-104.55
COC1=CC=C([O-])C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1	REAL300005726760	0	37	-2.0	-115.65	321.68	4.05	-111.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005726955	0	40	-2.0	-101.46	361.15	2.59	-98.87
CC1=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005727042	1	46	-2.0	-102.41	380.35	4.07	-98.34
O=C([O-])C1CCS(=O)(=NC([O-])=C2CCCCS2(=O)=O)CC1	REAL300005727101	0	38	-2.0	-117.54	322.97	1.91	-115.63
O=C([O-])C1CCS(=O)(=NC([O-])=C2CCCS2(=O)=O)CC1	REAL300005727334	0	35	-2.0	-124.54	309.93	0.12	-124.42
COC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C([O-])=C1	REAL300005727534	0	37	-2.0	-119.46	317.81	3.91	-115.55
CC1=C(CCC(=O)N2CC(C(=O)[O-])CCC2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005731604	1	54	-2.0	-106.04	414.89	7.75	-98.29
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300005732154	1	46	-2.0	-106.46	378.93	10.74	-95.72
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005732515	1	47	-2.0	-110.46	379.34	4.13	-106.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C)O1	REAL300005732516	1	38	-2.0	-108.93	325.73	1.60	-107.33
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C)=CS1	REAL300005733015	1	45	-2.0	-95.79	369.58	6.10	-89.69
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005733207	1	47	-2.0	-106.76	379.63	6.26	-100.50
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005733981	1	37	-2.0	-103.33	315.50	6.80	-96.53
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005734057	0	40	-2.0	-108.09	337.76	3.55	-104.54
CC1CCC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005734075	1	39	-2.0	-107.09	320.89	4.87	-102.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C)=N2)=C1	REAL300005734123	0	50	-2.0	-121.79	393.92	9.22	-112.57
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C=C1	REAL300005734124	0	50	-2.0	-117.52	393.54	9.19	-108.33
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300005734176	0	44	-2.0	-115.52	365.65	7.77	-107.75
CC1CCC(C(=O)[O-])CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005734181	0	41	-2.0	-111.65	340.07	7.36	-104.29
CC1CCC(C(=O)[O-])CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005734199	1	39	-2.0	-116.06	315.80	7.88	-108.18
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005734217	0	41	-2.0	-88.63	358.05	4.89	-83.74
CC1CCC(C(=O)[O-])CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005734257	0	33	-2.0	-99.21	298.00	4.65	-94.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C)=N2)=C1	REAL300005734305	0	44	-2.0	-120.41	358.38	7.93	-112.48
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300005734306	0	47	-2.0	-123.65	380.23	8.43	-115.22
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005734348	1	47	-2.0	-105.30	379.81	6.25	-99.05
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005734383	0	34	-2.0	-96.07	298.47	6.07	-90.00
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C)NC(=O)[N-]C1=O	REAL300005734389	1	37	-2.0	-102.19	308.84	0.04	-102.15
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C)=CC(Cl)=C1[O-]	REAL300005734467	1	41	-2.0	-102.20	343.31	7.05	-95.15
CC1CCC(C(=O)[O-])CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005734470	0	44	-2.0	-128.11	368.74	8.14	-119.97
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C=C1	REAL300005734475	0	45	-2.0	-117.37	362.82	6.56	-110.81
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C)=CO1	REAL300005734486	1	38	-2.0	-103.87	325.75	1.35	-102.52
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005734592	0	37	-2.0	-92.98	309.03	4.91	-88.07
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005734592	1	37	-2.0	-92.94	309.10	4.92	-88.02
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C)C(=O)[N-]1	REAL300005734803	1	39	-2.0	-106.19	322.75	2.52	-103.67
CC1CCC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005734837	1	42	-2.0	-108.15	336.86	5.43	-102.72
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005735032	0	34	-2.0	-100.49	309.55	6.89	-93.60
CC1=C(CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005736153	1	51	-2.0	-102.31	407.12	6.77	-95.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300005736682	1	43	-2.0	-104.58	371.37	9.72	-94.86
O=C([O-])C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300005736829	1	45	-2.0	-106.31	388.43	6.81	-99.50
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300005736830	1	45	-2.0	-108.29	388.60	6.81	-101.48
CC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005736841	0	41	-2.0	-89.89	369.85	4.99	-84.90
O=C([O-])C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300005737025	0	42	-2.0	-104.44	380.35	5.82	-98.62
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300005737042	1	44	-2.0	-99.32	375.08	3.07	-96.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300005737043	1	35	-2.0	-97.66	320.31	0.62	-97.04
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300005737271	0	42	-2.0	-106.53	380.54	5.81	-100.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)=CS1	REAL300005737525	1	42	-2.0	-108.51	362.07	5.01	-103.50
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005737697	1	44	-2.0	-122.14	372.93	5.21	-116.93
O=C([O-])C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300005737826	1	45	-2.0	-97.67	388.60	6.80	-90.87
O=C([O-])C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300005738358	1	34	-2.0	-110.48	304.00	7.28	-103.20
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300005738424	0	37	-2.0	-103.05	328.92	2.95	-100.10
O=C([O-])C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CC1	REAL300005738469	1	44	-2.0	-93.70	383.64	5.03	-88.67
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)=C1	REAL300005738483	0	47	-2.0	-128.45	388.52	7.97	-120.48
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)C=C1	REAL300005738484	0	47	-2.0	-126.36	388.45	7.97	-118.39
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300005738531	0	41	-2.0	-122.61	355.98	7.08	-115.53
O=C([O-])C[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300005738535	0	38	-2.0	-123.20	334.67	6.12	-117.08
O=C([O-])C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300005738550	1	36	-2.0	-126.27	307.83	6.90	-119.37
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300005738566	0	38	-2.0	-91.50	350.14	4.24	-87.26
O=C([O-])C[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300005738596	0	30	-2.0	-96.28	289.39	3.96	-92.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)=C1	REAL300005738628	0	41	-2.0	-130.84	353.01	6.70	-124.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300005738629	0	44	-2.0	-129.18	369.50	7.79	-121.39
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005738654	1	44	-2.0	-120.84	372.20	5.16	-115.68
O=C([O-])C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300005738679	0	31	-2.0	-94.73	286.58	5.88	-88.85
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300005738737	1	38	-2.0	-100.15	331.42	6.86	-93.29
O=C([O-])C[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300005738740	0	41	-2.0	-132.29	358.15	7.49	-124.80
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)C=C1	REAL300005738744	0	42	-2.0	-126.05	357.74	5.35	-120.70
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CO1	REAL300005738754	1	35	-2.0	-97.79	319.46	0.59	-97.20
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300005738848	0	34	-2.0	-89.97	303.23	3.50	-86.47
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300005738848	1	34	-2.0	-89.96	303.29	3.50	-86.46
O=C([O-])C[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300005739047	1	39	-2.0	-109.99	322.22	4.92	-105.07
O=C([O-])C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300005739200	0	31	-2.0	-106.81	294.97	7.78	-99.03
CC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300005741549	1	42	-2.0	-109.78	381.50	10.47	-99.31
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=C1	REAL300005741550	1	36	-2.0	-117.37	330.85	8.39	-108.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=C1	REAL300005741551	1	36	-2.0	-117.37	330.85	8.39	-108.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300005741560	1	42	-2.0	-102.17	381.49	10.48	-91.69
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])N=N3)S2)=C1	REAL300005741561	1	38	-2.0	-106.09	358.64	6.47	-99.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)C4)S2)=C1	REAL300005741569	1	40	-2.0	-100.32	360.26	9.36	-90.96
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCC3)S2)=C1	REAL300005741570	1	39	-2.0	-117.71	343.68	8.96	-108.75
CC1=CC=CC(CC2=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S2)=C1	REAL300005741571	1	38	-2.0	-119.51	338.70	8.94	-110.57
CC1=CC=CC(CC2=CN=C([N-]C(=O)C34CCC(C(=O)[O-])(CC3)C4)S2)=C1	REAL300005741573	1	46	-2.0	-104.36	390.89	10.17	-94.19
CC1=CC=CC(CC2=CN=C([N-]C(=O)C34CCC(C(=O)[O-])(CC3)CC4)S2)=C1	REAL300005741574	1	49	-2.0	-96.74	402.39	10.69	-86.05
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCCC3)S2)=C1	REAL300005741580	1	42	-2.0	-120.66	360.16	9.61	-111.05
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])C=N3)S2)=C1	REAL300005741583	1	39	-2.0	-104.65	363.57	7.95	-96.70
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)=C1	REAL300005741585	1	46	-2.0	-121.62	388.64	10.51	-111.11
CC1=CC=CC(CC2=CN=C([N-]C(=O)COCC(=O)[O-])S2)=C1	REAL300005741589	1	36	-2.0	-110.80	335.76	7.60	-103.20
CC1=CC=CC(CC2=CN=C([N-]C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)S2)=C1	REAL300005741591	1	43	-2.0	-111.00	379.19	9.25	-101.75
CC1=CC=CC(CC2=CN=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S2)=C1	REAL300005741592	1	44	-2.0	-108.12	376.79	9.34	-98.78
CC1=CC=CC(CC2=CN=C([N-]C(=O)COCC3=C(C(=O)[O-])N=CO3)S2)=C1	REAL300005741597	1	42	-2.0	-117.91	389.60	5.49	-112.42
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=CC(C(=O)[O-])=N3)S2)=C1	REAL300005741603	1	39	-2.0	-119.63	362.90	7.97	-111.66
CC1=CC=CC(CC2=CN=C([N-]C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)S2)=C1	REAL300005741606	1	46	-2.0	-108.75	400.66	9.70	-99.05
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)S2)=C1	REAL300005741617	1	46	-2.0	-123.38	402.88	11.67	-111.71
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC=CC3)S2)=C1	REAL300005741632	1	40	-2.0	-121.06	355.33	9.17	-111.89
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300005741638	1	36	-2.0	-119.65	334.06	7.46	-112.19
CC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])S2)=C1	REAL300005741639	1	39	-2.0	-130.17	348.74	9.90	-120.27
CC1=CC=CC(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)CO4)S2)=C1	REAL300005741643	1	41	-2.0	-100.63	367.17	7.32	-93.31
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3C)S2)=C1	REAL300005741646	1	39	-2.0	-117.95	348.50	8.95	-109.00
CC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)=C1	REAL300005741647	1	46	-2.0	-121.62	388.64	10.51	-111.11
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300005741654	1	40	-2.0	-120.56	359.12	9.37	-111.19
CC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])S2)=C1	REAL300005741656	1	44	-2.0	-135.88	376.84	8.15	-127.73
CC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])S2)=C1	REAL300005741657	1	45	-2.0	-132.42	386.50	9.85	-122.57
CC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3C)S2)=C1	REAL300005741658	1	45	-2.0	-102.89	398.19	10.94	-91.95
CC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC(C(=O)[O-])=CS3)S2)=C1	REAL300005741659	1	39	-2.0	-105.95	373.04	9.61	-96.34
CC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)S2)=C1	REAL300005741660	1	42	-2.0	-102.76	386.04	10.50	-92.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)C34CCC(C(=O)[O-])(CC3)CC4)S2)=C1	REAL300005741662	1	49	-2.0	-96.74	402.39	10.69	-86.05
O=C([O-])CCCCC([N-]C(=O)C(F)(F)C1=CC=CC=C1)C(F)(F)F	REAL300005743093	1	38	-2.0	-94.05	349.11	7.32	-86.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)O1	REAL300005743140	1	40	-2.0	-91.89	375.31	1.73	-90.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCCCC(=O)[O-])C(F)(F)F	REAL300005743322	0	43	-2.0	-97.09	382.86	5.05	-92.04
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F	REAL300005743722	1	45	-2.0	-100.26	398.05	7.82	-92.44
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F	REAL300005744109	1	42	-2.0	-99.21	376.09	6.67	-92.54
O=C([O-])CCCCC(NC(=O)C1=CC=C([O-])C(F)=C1)C(F)(F)F	REAL300005744763	1	36	-2.0	-93.56	328.68	5.97	-87.59
O=C([O-])CCCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(F)(F)F	REAL300005744776	1	39	-2.0	-96.82	359.02	8.46	-88.36
O=C([O-])CCCCC(NC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300005744830	0	36	-2.0	-89.04	326.13	4.05	-84.99
O=C([O-])CCCCC(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300005744830	1	36	-2.0	-89.03	326.19	4.06	-84.97
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)C=N1	REAL300005744901	0	42	-2.0	-95.14	383.91	4.07	-91.07
O=C([O-])CCCCC(NC(=O)C1=CN=CC([O-])=C1)C(F)(F)F	REAL300005744964	1	35	-2.0	-93.35	317.52	4.08	-89.27
O=C([O-])CCCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(F)(F)F	REAL300005745107	1	41	-2.0	-105.31	362.82	8.07	-97.24
O=C([O-])CCCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005745385	0	36	-2.0	-89.81	344.66	6.53	-83.28
COC1=C(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)NC(=O)[N-]C1=O	REAL300005745404	1	39	-2.0	-93.07	350.83	1.54	-91.53
O=C([O-])CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300005745496	0	39	-2.0	-94.87	347.63	4.82	-90.05
O=C([O-])CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300005745496	1	39	-2.0	-94.88	347.69	4.84	-90.04
O=C([O-])CCCCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(F)(F)F	REAL300005745529	0	36	-2.0	-89.88	338.48	6.46	-83.42
CCOC1=CC(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)=CC(Cl)=C1[O-]	REAL300005745532	1	43	-2.0	-93.63	389.53	7.50	-86.13
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)=CO1	REAL300005745563	1	40	-2.0	-95.18	374.45	1.72	-93.46
O=C([O-])CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300005745713	0	39	-2.0	-85.91	358.22	4.62	-81.29
O=C([O-])CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300005745713	1	39	-2.0	-85.88	358.29	4.62	-81.26
O=C([O-])CCCCC(NC(=O)C1=C[N-]N=CC1=O)C(F)(F)F	REAL300005745971	0	34	-2.0	-83.07	309.75	4.53	-78.54
COCC1=NC=C(C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)C(=O)[N-]1	REAL300005746002	1	41	-2.0	-91.09	363.31	3.15	-87.94
O=C([O-])CCCCC([N-]C(=O)C(F)(F)C1=CC=CN=C1)C(F)(F)F	REAL300005746113	1	37	-2.0	-91.28	344.07	5.52	-85.76
O=C([O-])CCCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)(F)F	REAL300005746334	0	36	-2.0	-93.32	353.08	8.49	-84.83
O=C([O-])CCCCC([N-]C(=O)C(F)(F)CCN1C=CN=N1)C(F)(F)F	REAL300005746424	1	40	-2.0	-95.46	367.42	4.91	-90.55
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F	REAL300005746425	0	41	-2.0	-90.03	369.49	7.78	-82.25
O=C([O-])CCCCC([N-]C(=O)C(F)(F)CCN1C=CC=N1)C(F)(F)F	REAL300005746426	1	41	-2.0	-94.45	373.62	6.14	-88.31
CC1=CC(C(F)(F)C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)=CS1	REAL300005746763	0	38	-2.0	-92.41	361.95	7.09	-85.32
CC1=CC(C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F)=CS1	REAL300005746763	1	38	-2.0	-92.41	361.95	7.09	-85.32
CN1C=C(C(F)(F)C(=O)NC(CCCCC(=O)[O-])C(F)(F)F)C=N1	REAL300005746764	0	38	-2.0	-94.66	353.58	5.11	-89.55
CN1C=C(C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F)C=N1	REAL300005746764	1	38	-2.0	-94.66	353.58	5.11	-89.55
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F	REAL300005746797	0	41	-2.0	-91.04	368.13	7.73	-83.31
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CCCCC(=O)[O-])C(F)(F)F	REAL300005746798	1	44	-2.0	-94.23	378.29	8.20	-86.03
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CCC(=O)[O-])CCOC2)C=C1	REAL300005747721	1	47	-2.0	-127.00	393.77	8.10	-118.90
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CCC(=O)[O-])CCOC2)O1	REAL300005748078	1	48	-2.0	-95.08	395.93	1.51	-93.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CCC(=O)[O-])CCOC2)O1	REAL300005748079	1	39	-2.0	-94.17	342.31	-1.03	-95.20
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CCC(=O)[O-])CCOC2)=CS1	REAL300005748566	1	46	-2.0	-112.09	383.56	3.41	-108.68
CC1=C(CC(=O)NC2(CCC(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005748762	1	48	-2.0	-123.05	395.67	3.52	-119.53
O=C([O-])CCC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOC1	REAL300005749639	1	38	-2.0	-114.33	326.07	5.65	-108.68
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CCC(=O)[O-])CCOC2)C=N1	REAL300005749725	0	41	-2.0	-100.50	352.61	1.31	-99.19
O=C([O-])CCC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOC1	REAL300005749747	1	40	-2.0	-102.89	330.43	2.82	-100.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCOC3)=N2)=C1	REAL300005749799	0	51	-2.0	-126.90	410.58	6.36	-120.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCOC3)=N2)C=C1	REAL300005749800	0	51	-2.0	-129.20	409.98	6.36	-122.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CCC(=O)[O-])CCOC2)=N1	REAL300005749862	0	45	-2.0	-122.59	377.68	5.47	-117.12
O=C([O-])CCC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOC1	REAL300005749867	0	42	-2.0	-123.98	356.73	4.51	-119.47
O=C([O-])CCC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOC1	REAL300005749892	1	40	-2.0	-128.18	329.35	5.27	-122.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCOC3)=N2)=C1	REAL300005750022	0	45	-2.0	-134.38	374.53	5.08	-129.30
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CCC(=O)[O-])CCOC2)=N1	REAL300005750023	0	48	-2.0	-128.73	391.75	6.17	-122.56
CC1=C(CC(=O)NC2(CCC(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005750073	1	48	-2.0	-122.02	395.85	3.51	-118.51
O=C([O-])CCC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOC1	REAL300005750118	0	35	-2.0	-95.58	313.41	3.74	-91.84
COC1=C(C(=O)NC2(CCC(=O)[O-])CCOC2)NC(=O)[N-]C1=O	REAL300005750125	1	38	-2.0	-99.36	319.49	-1.23	-100.59
O=C([O-])CCC1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCOC1	REAL300005750219	0	35	-2.0	-95.51	307.18	3.70	-91.81
CCOC1=CC(C(=O)NC2(CCC(=O)[O-])CCOC2)=CC(Cl)=C1[O-]	REAL300005750222	1	42	-2.0	-100.03	358.26	4.73	-95.30
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCOC3)=N2)C=C1	REAL300005750230	0	46	-2.0	-128.80	379.26	3.73	-125.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CCC(=O)[O-])CCOC2)=CO1	REAL300005750244	1	39	-2.0	-102.79	343.14	-1.06	-103.85
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300005750371	0	38	-2.0	-91.64	324.75	1.87	-89.77
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300005750371	1	38	-2.0	-91.61	324.82	1.87	-89.74
COCC1=NC=C(C(=O)NC2(CCC(=O)[O-])CCOC2)C(=O)[N-]1	REAL300005750613	1	40	-2.0	-102.22	332.26	0.47	-101.75
O=C([O-])CCC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOC1	REAL300005750650	1	43	-2.0	-102.93	346.17	3.36	-99.57
O=C([O-])CCC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOC1	REAL300005750881	0	35	-2.0	-108.37	321.78	5.67	-102.70
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=C1	REAL300005751982	0	48	-2.0	-112.36	386.80	6.29	-106.07
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005752281	0	48	-2.0	-112.93	387.20	6.53	-106.40
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005752739	1	51	-2.0	-90.32	412.34	5.14	-85.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])O1	REAL300005752740	1	42	-2.0	-89.43	357.57	2.69	-86.74
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005753001	0	45	-2.0	-111.31	365.74	5.63	-105.68
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])=CS1	REAL300005753341	1	49	-2.0	-111.92	402.02	7.14	-104.78
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005753571	0	45	-2.0	-103.50	371.82	5.69	-97.81
CC1=C(CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005753573	1	51	-2.0	-118.63	412.33	7.33	-111.30
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)CC1CC(=O)[O-]	REAL300005753576	0	51	-2.0	-113.52	408.70	7.31	-106.21
CC1=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005753659	1	51	-2.0	-118.93	382.88	7.68	-111.25
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300005754717	1	38	-2.0	-112.96	304.44	7.31	-105.65
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005754729	1	41	-2.0	-113.99	341.76	8.97	-105.02
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C=N1	REAL300005754835	0	44	-2.0	-117.58	363.20	5.99	-111.59
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005754870	1	43	-2.0	-130.96	348.90	7.42	-123.54
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=N2)=C1	REAL300005754928	0	54	-2.0	-127.39	427.58	10.41	-116.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=N2)C=C1	REAL300005754929	0	54	-2.0	-125.17	425.66	10.20	-114.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=N1	REAL300005755025	0	48	-2.0	-151.19	395.19	10.12	-141.07
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005755030	0	45	-2.0	-125.07	373.73	8.56	-116.51
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005755072	1	43	-2.0	-126.39	344.38	9.39	-117.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=N2)=C1	REAL300005755237	0	48	-2.0	-131.44	393.18	9.10	-122.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=N1	REAL300005755238	0	51	-2.0	-129.80	391.38	9.60	-120.20
CC1=C(CC(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005755315	1	51	-2.0	-116.29	414.05	7.39	-108.90
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005755377	0	38	-2.0	-111.64	321.14	7.90	-103.74
COC1=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005755394	1	41	-2.0	-113.52	330.72	3.19	-110.33
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300005755493	0	41	-2.0	-105.28	332.96	5.85	-99.43
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300005755493	1	41	-2.0	-105.30	333.02	5.87	-99.43
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005755530	0	38	-2.0	-111.49	314.24	7.81	-103.68
CCOC1=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005755534	1	45	-2.0	-118.54	368.54	9.39	-109.15
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3CC(=O)[O-])=N2)C=C1	REAL300005755544	0	49	-2.0	-126.17	397.91	7.74	-118.43
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])=CO1	REAL300005755568	1	42	-2.0	-100.79	354.02	2.39	-98.40
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005755734	0	41	-2.0	-87.12	339.80	5.98	-81.14
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005755734	1	41	-2.0	-87.08	339.87	5.98	-81.10
COCC1=NC=C(C(=O)N2CC3(CCC3)CC2CC(=O)[O-])C(=O)[N-]1	REAL300005756069	1	43	-2.0	-129.68	350.75	5.07	-124.61
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005756117	1	46	-2.0	-119.61	354.79	7.33	-112.28
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005756439	0	38	-2.0	-109.37	335.93	9.00	-100.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)O1	REAL300005758527	1	32	-2.0	-89.23	341.68	0.57	-88.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(Cl)SC(C(=O)[O-])=C1	REAL300005758719	0	35	-2.0	-95.27	349.23	3.87	-91.40
O=C([O-])C1=CC(CNC(=O)C2=CC=C([O-])C(F)=C2)=C(Cl)S1	REAL300005760267	1	28	-2.0	-89.62	295.05	4.80	-84.82
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C(Cl)S1	REAL300005760280	1	31	-2.0	-95.06	325.38	7.35	-87.71
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=C(Cl)S1	REAL300005760334	0	28	-2.0	-86.11	292.50	2.87	-83.24
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=C(Cl)S1	REAL300005760334	1	28	-2.0	-86.10	292.56	2.89	-83.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C=N1	REAL300005760415	0	34	-2.0	-92.74	350.29	2.89	-89.85
O=C([O-])C1=CC(CNC(=O)C2=CN=CC([O-])=C2)=C(Cl)S1	REAL300005760486	1	27	-2.0	-89.98	283.89	2.93	-87.05
O=C([O-])C1=CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C(Cl)S1	REAL300005760601	0	35	-2.0	-104.65	356.03	6.09	-98.56
O=C([O-])C1=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C(Cl)S1	REAL300005760647	1	33	-2.0	-105.84	329.18	6.97	-98.87
O=C([O-])C1=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C(Cl)S1	REAL300005760934	0	28	-2.0	-86.64	311.06	5.36	-81.28
COC1=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300005760952	1	31	-2.0	-89.56	317.02	0.44	-89.12
O=C([O-])C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=C(Cl)S1	REAL300005761049	0	31	-2.0	-91.81	314.00	3.66	-88.15
O=C([O-])C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=C(Cl)S1	REAL300005761049	1	31	-2.0	-91.83	314.06	3.67	-88.16
O=C([O-])C1=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=C(Cl)S1	REAL300005761085	0	28	-2.0	-86.41	304.85	5.29	-81.12
CCOC1=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300005761089	1	35	-2.0	-90.82	355.90	6.33	-84.49
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)=CO1	REAL300005761122	1	32	-2.0	-91.06	340.82	0.55	-90.51
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C(Cl)S1	REAL300005761285	0	31	-2.0	-83.30	324.58	3.45	-79.85
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C(Cl)S1	REAL300005761285	1	31	-2.0	-83.27	324.65	3.45	-79.82
O=C([O-])C1=CC(CNC(=O)C2=C[N-]N=CC2=O)=C(Cl)S1	REAL300005761566	0	26	-2.0	-82.81	276.09	3.34	-79.47
COCC1=NC=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300005761600	1	33	-2.0	-91.19	329.93	1.96	-89.23
O=C([O-])C1=CC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C(Cl)S1	REAL300005761953	0	28	-2.0	-91.87	319.45	7.39	-84.48
CC1=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005762250	0	36	-2.0	-96.36	353.56	4.45	-91.91
CC1=C(C(=O)NCC2=C(Cl)SC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005762250	1	36	-2.0	-96.36	353.56	4.45	-91.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])O1	REAL300005763833	1	42	-2.0	-121.06	363.55	3.96	-117.10
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2C(=O)[O-]	REAL300005765234	1	38	-2.0	-106.91	316.35	7.72	-99.19
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2C(=O)[O-]	REAL300005765246	1	41	-2.0	-138.13	350.41	9.76	-128.37
CC1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2C(=O)[O-]	REAL300005765286	0	38	-2.0	-101.64	317.17	6.23	-95.41
CC1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2C(=O)[O-]	REAL300005765286	1	38	-2.0	-101.60	317.23	6.25	-95.35
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C2C(=O)[O-]	REAL300005765349	0	44	-2.0	-115.18	372.32	5.85	-109.33
CC1=CC=CC2=C1CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2C(=O)[O-]	REAL300005765371	1	43	-2.0	-132.09	354.45	8.09	-124.00
CC1=CC=CC2=C1CCN(C(=O)C1=CN=CC([O-])=C1)C2C(=O)[O-]	REAL300005765404	1	37	-2.0	-121.92	304.89	5.84	-116.08
CC1=CC=CC2=C1CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2C(=O)[O-]	REAL300005765488	0	45	-2.0	-154.11	372.49	10.33	-143.78
CC1=CC=CC2=C1CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2C(=O)[O-]	REAL300005765519	1	43	-2.0	-158.00	347.94	10.47	-147.53
CC1=CC=CC2=C1CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2C(=O)[O-]	REAL300005765753	0	38	-2.0	-107.48	332.35	8.27	-99.21
COC1=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005765765	1	41	-2.0	-109.65	341.40	2.95	-106.70
CC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2C(=O)[O-]	REAL300005765842	0	41	-2.0	-111.38	338.67	7.01	-104.37
CC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2C(=O)[O-]	REAL300005765842	1	41	-2.0	-111.41	338.73	7.03	-104.38
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2C(=O)[O-]	REAL300005765873	0	38	-2.0	-105.51	326.15	8.20	-97.31
CCOC1=CC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005765877	1	45	-2.0	-112.08	376.91	9.25	-102.83
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=CO1	REAL300005765898	1	42	-2.0	-116.16	358.28	3.51	-112.65
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2C(=O)[O-]	REAL300005766035	0	41	-2.0	-104.05	341.84	7.87	-96.18
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2C(=O)[O-]	REAL300005766035	1	41	-2.0	-103.97	341.89	7.88	-96.09
CC1=CC=CC2=C1CCN(C(=O)C1=C[N-]N=CC1=O)C2C(=O)[O-]	REAL300005766258	0	36	-2.0	-118.99	298.92	7.21	-111.78
COCC1=NC=C(C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C(=O)[N-]1	REAL300005766281	1	43	-2.0	-131.40	356.47	5.73	-125.67
CC1=CC=CC2=C1CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2C(=O)[O-]	REAL300005766323	1	46	-2.0	-132.35	370.23	8.63	-123.72
CC1=CC=CC2=C1CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2C(=O)[O-]	REAL300005766553	0	38	-2.0	-134.01	344.08	9.80	-124.21
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300005767677	0	45	-2.0	-136.73	368.15	7.12	-129.61
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005767992	0	45	-2.0	-135.13	370.66	7.28	-127.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300005768042	1	47	-2.0	-119.67	397.54	11.47	-108.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300005768485	1	48	-2.0	-91.01	400.21	4.77	-86.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300005768486	1	39	-2.0	-90.02	344.75	2.36	-87.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005768759	0	42	-2.0	-133.07	349.19	6.38	-126.69
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300005769128	1	46	-2.0	-112.15	388.78	6.77	-105.38
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005769364	0	42	-2.0	-124.89	355.95	6.49	-118.40
CC1=C(CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005769367	1	48	-2.0	-117.20	398.18	6.93	-110.27
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300005769370	0	48	-2.0	-136.09	392.15	8.06	-128.03
CC1=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005769450	1	48	-2.0	-129.14	375.20	8.21	-120.93
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005770481	1	38	-2.0	-143.14	322.93	9.35	-133.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300005770589	0	41	-2.0	-117.43	347.52	5.52	-111.91
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005770622	1	40	-2.0	-101.72	329.73	5.61	-96.11
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)=C1	REAL300005770680	0	51	-2.0	-126.53	412.88	9.90	-116.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005770681	0	51	-2.0	-125.73	412.88	9.91	-115.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300005770771	0	45	-2.0	-122.02	378.94	9.05	-112.97
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005770776	0	42	-2.0	-123.04	357.51	8.10	-114.94
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005770807	1	40	-2.0	-127.28	331.85	9.13	-118.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)=C1	REAL300005770960	0	45	-2.0	-130.66	375.96	8.68	-121.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300005770961	0	48	-2.0	-128.84	376.93	9.19	-119.65
CC1=C(CC(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005771032	1	48	-2.0	-115.67	398.36	6.93	-108.74
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005771082	0	35	-2.0	-113.77	308.21	8.04	-105.73
COC1=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005771093	1	38	-2.0	-110.56	317.23	2.56	-108.00
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005771218	0	35	-2.0	-115.35	302.84	7.98	-107.37
CCOC1=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005771221	1	42	-2.0	-118.09	353.07	9.01	-109.08
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)C=C1	REAL300005771233	0	46	-2.0	-124.96	380.59	7.33	-117.63
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])=CO1	REAL300005771256	1	39	-2.0	-120.64	336.58	3.30	-117.34
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005771413	0	38	-2.0	-87.46	327.32	5.66	-81.80
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005771413	1	38	-2.0	-87.42	327.39	5.66	-81.76
COCC1=NC=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)[N-]1	REAL300005771732	1	40	-2.0	-101.50	332.11	3.24	-98.26
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005771776	1	43	-2.0	-101.46	345.59	6.16	-95.30
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005772074	0	35	-2.0	-134.07	319.57	9.24	-124.83
CC1=C(C(=O)N2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005772374	0	43	-2.0	-137.26	363.78	6.73	-130.53
CC1=C(CCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005774125	1	56	-2.0	-102.97	428.06	7.13	-95.84
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C=C1	REAL300005774676	1	48	-2.0	-105.33	392.67	10.09	-95.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)O1	REAL300005775038	1	49	-2.0	-99.87	396.73	3.40	-96.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)O1	REAL300005775039	1	40	-2.0	-98.32	341.28	0.99	-97.33
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=CS1	REAL300005775537	1	47	-2.0	-109.06	383.04	5.38	-103.68
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005775729	1	49	-2.0	-122.78	392.98	5.53	-117.25
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005776518	1	39	-2.0	-111.16	324.98	7.63	-103.53
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005776595	0	42	-2.0	-103.63	349.88	3.31	-100.32
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005776613	1	41	-2.0	-112.48	327.86	4.76	-107.72
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300005776661	0	52	-2.0	-129.49	409.49	8.33	-121.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300005776662	0	52	-2.0	-127.43	409.42	8.33	-119.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N1	REAL300005776715	0	46	-2.0	-123.54	376.97	7.44	-116.10
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005776720	0	43	-2.0	-124.08	355.64	6.48	-117.60
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005776740	1	41	-2.0	-127.22	328.79	7.26	-119.96
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005776758	0	43	-2.0	-92.05	371.12	4.61	-87.44
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005776798	0	35	-2.0	-96.83	310.35	4.32	-92.51
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300005776848	0	46	-2.0	-131.87	373.98	7.06	-124.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N1	REAL300005776849	0	49	-2.0	-130.23	390.46	8.15	-122.08
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005776891	1	49	-2.0	-121.60	393.16	5.52	-116.08
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005776928	0	36	-2.0	-95.44	310.65	5.79	-89.65
COC1=C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)NC(=O)[N-]C1=O	REAL300005776934	1	39	-2.0	-98.62	316.81	0.74	-97.88
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=CC(Cl)=C1[O-]	REAL300005777011	1	43	-2.0	-100.94	355.50	6.76	-94.18
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005777014	0	46	-2.0	-133.38	379.12	7.84	-125.54
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300005777019	0	47	-2.0	-127.00	378.71	5.71	-121.29
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)=CO1	REAL300005777030	1	40	-2.0	-98.13	340.42	0.96	-97.17
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005777135	0	39	-2.0	-90.47	324.19	3.87	-86.60
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005777135	1	39	-2.0	-90.43	324.26	3.87	-86.56
COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]1	REAL300005777351	1	41	-2.0	-110.60	329.96	2.35	-108.25
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005777387	1	44	-2.0	-111.59	343.14	5.28	-106.31
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005777582	0	36	-2.0	-107.66	319.05	7.68	-99.98
CC1=C(CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005778229	1	56	-2.0	-113.61	428.09	7.13	-106.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C=C1	REAL300005778780	1	48	-2.0	-130.90	394.68	10.22	-120.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)O1	REAL300005779142	1	49	-2.0	-100.18	396.05	3.43	-96.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)O1	REAL300005779143	1	40	-2.0	-98.87	341.28	0.98	-97.89
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CS1	REAL300005779641	1	47	-2.0	-103.63	383.04	5.38	-98.25
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005779833	1	49	-2.0	-109.28	393.89	5.57	-103.71
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005780622	1	39	-2.0	-111.13	324.98	7.65	-103.48
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005780699	0	42	-2.0	-103.64	349.88	3.31	-100.33
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005780717	1	41	-2.0	-111.94	328.11	4.70	-107.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300005780765	0	52	-2.0	-129.29	409.49	8.33	-120.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300005780766	0	52	-2.0	-127.44	409.42	8.34	-119.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N1	REAL300005780819	0	46	-2.0	-123.14	376.96	7.44	-115.70
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005780824	0	43	-2.0	-124.04	355.63	6.48	-117.56
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005780844	1	41	-2.0	-127.18	328.79	7.27	-119.91
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005780862	0	43	-2.0	-91.97	371.11	4.61	-87.36
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005780902	0	35	-2.0	-96.81	310.35	4.32	-92.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300005780952	0	46	-2.0	-131.96	373.98	7.06	-124.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N1	REAL300005780953	0	49	-2.0	-129.53	383.50	8.21	-121.32
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005780995	1	49	-2.0	-107.16	393.16	5.52	-101.64
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005781032	0	36	-2.0	-95.47	310.68	5.78	-89.69
COC1=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)NC(=O)[N-]C1=O	REAL300005781038	1	39	-2.0	-97.29	316.80	0.74	-96.55
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CC(Cl)=C1[O-]	REAL300005781115	1	43	-2.0	-100.97	355.50	6.76	-94.21
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005781118	0	46	-2.0	-133.38	379.13	7.84	-125.54
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300005781123	0	47	-2.0	-126.48	378.71	5.71	-120.77
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)=CO1	REAL300005781134	1	40	-2.0	-98.66	340.41	0.96	-97.70
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005781239	0	39	-2.0	-90.45	324.19	3.86	-86.59
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005781239	1	39	-2.0	-90.45	324.27	3.87	-86.58
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(=O)[N-]1	REAL300005781455	1	41	-2.0	-109.92	329.23	2.40	-107.52
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005781491	1	44	-2.0	-112.08	343.87	5.25	-106.83
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005781686	0	36	-2.0	-107.69	319.05	7.69	-100.00
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)O1	REAL300005783368	1	39	-2.0	-109.49	353.43	3.31	-106.18
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC(F)=C(C(=O)[O-])C=C2C1	REAL300005783558	0	42	-2.0	-106.23	365.11	6.08	-100.15
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300005785087	1	35	-2.0	-104.82	309.14	7.14	-97.68
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300005785100	1	38	-2.0	-105.02	341.15	8.98	-96.04
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300005785156	0	35	-2.0	-97.69	307.04	5.56	-92.13
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300005785156	1	35	-2.0	-97.71	307.10	5.58	-92.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C=N1	REAL300005785236	0	41	-2.0	-105.47	362.80	5.19	-100.28
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300005785306	1	34	-2.0	-102.68	296.53	5.12	-97.56
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300005785418	0	42	-2.0	-110.12	367.77	9.02	-101.10
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300005785464	1	40	-2.0	-110.75	340.77	10.10	-100.65
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300005785752	0	35	-2.0	-100.63	323.92	7.64	-92.99
COC1=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)NC(=O)[N-]C1=O	REAL300005785771	1	38	-2.0	-105.19	338.02	1.66	-103.53
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300005785867	0	38	-2.0	-99.11	328.54	6.35	-92.76
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300005785867	1	38	-2.0	-99.10	328.60	6.36	-92.74
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300005785902	0	35	-2.0	-100.94	318.94	7.63	-93.31
CCOC1=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=CC(Cl)=C1[O-]	REAL300005785906	1	42	-2.0	-103.87	368.77	8.63	-95.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)=CO1	REAL300005785939	1	39	-2.0	-102.06	351.56	2.96	-99.10
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300005786099	0	38	-2.0	-97.32	335.88	6.60	-90.72
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300005786099	1	38	-2.0	-97.31	335.95	6.60	-90.71
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300005786376	0	33	-2.0	-99.07	297.01	5.61	-93.46
COCC1=NC=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C(=O)[N-]1	REAL300005786409	1	40	-2.0	-108.23	351.02	4.20	-104.03
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300005786759	0	35	-2.0	-101.24	335.21	9.04	-92.20
CC1=C(C(=O)N2CCC3=CC(F)=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005787058	1	43	-2.0	-115.35	378.73	6.57	-108.78
CC1=C(CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300005787588	0	52	-2.0	-115.56	403.72	7.88	-107.68
CC1=C(CCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005787588	1	52	-2.0	-115.56	403.72	7.88	-107.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300005788142	1	44	-2.0	-111.05	365.51	10.68	-100.37
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])O1	REAL300005788500	1	45	-2.0	-124.21	368.70	4.69	-119.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])O1	REAL300005788501	1	36	-2.0	-121.23	313.93	2.24	-118.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=CS1	REAL300005788999	1	43	-2.0	-111.16	358.04	6.08	-105.08
CC1=C(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005789191	1	45	-2.0	-131.18	368.17	6.24	-124.94
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005789942	1	35	-2.0	-126.85	302.41	7.65	-119.20
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=N1	REAL300005790017	0	38	-2.0	-121.06	323.87	3.51	-117.55
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005790035	1	37	-2.0	-134.33	307.65	4.90	-129.43
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)=C1	REAL300005790084	0	48	-2.0	-145.92	380.57	9.38	-136.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)C=C1	REAL300005790085	0	48	-2.0	-141.85	380.57	9.35	-132.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300005790136	0	42	-2.0	-137.05	351.20	8.47	-128.58
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005790140	0	39	-2.0	-141.33	326.78	7.53	-133.80
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005790158	1	37	-2.0	-137.06	301.59	8.99	-128.07
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005790175	0	39	-2.0	-104.20	345.13	4.86	-99.34
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005790215	0	31	-2.0	-112.60	285.87	4.62	-107.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)=C1	REAL300005790262	0	42	-2.0	-146.15	345.10	8.10	-138.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300005790263	0	45	-2.0	-146.73	362.03	8.83	-137.90
CC1=C(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005790303	1	45	-2.0	-129.54	369.26	6.28	-123.26
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005790335	0	32	-2.0	-109.46	286.26	6.15	-103.31
COC1=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005790341	1	35	-2.0	-115.15	290.61	1.59	-113.56
CCOC1=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005790416	1	39	-2.0	-116.95	329.57	7.03	-109.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005790419	0	42	-2.0	-155.40	358.11	8.46	-146.94
COC1=CC=C(N2C=C([O-])C(C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)C=C1	REAL300005790424	0	43	-2.0	-140.40	349.83	6.73	-133.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=CO1	REAL300005790435	1	36	-2.0	-104.44	310.54	1.34	-103.10
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005790536	0	35	-2.0	-103.38	296.36	5.44	-97.94
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005790536	1	35	-2.0	-103.39	296.43	5.44	-97.95
COCC1=NC=C(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300005790741	1	37	-2.0	-129.02	298.11	3.45	-125.57
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005790772	1	40	-2.0	-134.69	323.51	5.45	-129.24
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005790963	0	32	-2.0	-122.40	296.18	7.63	-114.77
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=C1	REAL300005792671	0	42	-2.0	-101.75	365.99	1.27	-100.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005792924	0	42	-2.0	-102.10	365.59	2.46	-99.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)O1	REAL300005793326	1	36	-2.0	-82.74	334.27	-2.20	-84.94
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005793554	0	39	-2.0	-101.25	344.27	0.61	-100.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=CS1	REAL300005793879	1	43	-2.0	-93.44	379.11	2.22	-91.22
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(O)(C(F)(F)C(=O)[O-])C1	REAL300005794087	0	39	-2.0	-93.26	350.51	1.63	-91.63
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300005795193	1	32	-2.0	-90.71	284.57	1.52	-89.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005795206	1	35	-2.0	-103.07	320.39	3.48	-99.59
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300005795247	0	32	-2.0	-81.31	288.62	0.17	-81.14
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300005795247	1	32	-2.0	-81.31	288.68	0.19	-81.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C=N1	REAL300005795334	0	38	-2.0	-95.28	339.67	-0.36	-95.64
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300005795413	1	31	-2.0	-84.63	273.29	-0.34	-84.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=N1	REAL300005795523	0	42	-2.0	-108.98	369.89	5.19	-103.79
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005795570	1	37	-2.0	-113.56	320.90	4.67	-108.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=N2)=C1	REAL300005795732	0	42	-2.0	-116.34	367.32	4.83	-111.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=N1	REAL300005795733	0	45	-2.0	-115.44	381.10	4.96	-110.48
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005795866	0	32	-2.0	-85.98	300.58	2.09	-83.89
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300005795978	0	35	-2.0	-89.14	309.68	1.78	-87.36
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300005795978	1	35	-2.0	-89.13	309.74	1.80	-87.33
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005796015	0	32	-2.0	-87.46	294.37	2.01	-85.45
CCOC1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005796019	1	39	-2.0	-90.24	345.26	4.02	-86.22
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C(F)(F)C(=O)[O-])C3)=N2)C=C1	REAL300005796027	0	43	-2.0	-112.71	371.76	2.62	-110.09
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)=CO1	REAL300005796051	1	36	-2.0	-91.72	330.40	-2.55	-94.27
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005796215	0	35	-2.0	-79.02	316.34	2.03	-76.99
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005796215	1	35	-2.0	-79.02	316.41	2.03	-76.99
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300005796511	0	30	-2.0	-88.20	277.63	0.20	-88.00
COCC1=NC=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C(=O)[N-]1	REAL300005796545	1	37	-2.0	-96.39	331.59	-1.22	-97.61
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005796910	0	32	-2.0	-97.97	314.30	3.66	-94.31
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C(=O)NC(C2=CC=CO2)=N1	REAL300005797214	0	40	-2.0	-102.33	358.03	1.26	-101.07
CC1=C(C(=O)N2CCC(O)(C(F)(F)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005797214	1	40	-2.0	-102.33	358.03	1.26	-101.07
CC1=C(CCC(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005797779	1	52	-2.0	-100.02	410.17	4.80	-95.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005798134	0	42	-2.0	-105.93	353.43	2.06	-103.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005798444	0	42	-2.0	-106.96	353.46	2.30	-104.66
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300005798494	1	44	-2.0	-113.98	373.68	7.66	-106.32
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)O1	REAL300005798946	1	45	-2.0	-87.73	374.51	0.87	-86.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)O1	REAL300005798947	1	36	-2.0	-86.88	319.45	-1.41	-88.29
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300005799178	0	46	-2.0	-110.98	389.27	0.33	-110.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005799224	0	39	-2.0	-105.39	332.01	1.40	-103.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(O)(C(=O)[O-])C2)=CS1	REAL300005799596	1	43	-2.0	-106.50	364.07	3.00	-103.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005799833	0	39	-2.0	-97.50	339.55	1.50	-96.00
CC1=C(CC(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005799836	1	45	-2.0	-112.85	373.96	3.18	-109.67
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005799839	0	45	-2.0	-107.50	374.97	3.07	-104.43
CC1=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005799910	1	45	-2.0	-107.23	364.37	2.84	-104.39
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300005800674	0	45	-2.0	-109.31	379.07	3.68	-105.63
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005800868	1	35	-2.0	-107.34	308.10	3.73	-103.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C=N1	REAL300005800969	0	38	-2.0	-98.51	330.60	0.57	-97.94
O=C([O-])C1(O)CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005800999	1	37	-2.0	-107.53	314.87	1.94	-105.59
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)=C1	REAL300005801053	0	48	-2.0	-117.41	387.42	6.17	-111.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300005801054	0	48	-2.0	-116.81	387.58	6.20	-110.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300005801132	0	42	-2.0	-113.21	359.84	4.75	-108.46
O=C([O-])C1(O)CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005801137	0	39	-2.0	-115.03	333.57	4.32	-110.71
O=C([O-])C1(O)CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005801163	1	37	-2.0	-118.59	306.84	5.40	-113.19
O=C([O-])C1(O)CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005801183	0	39	-2.0	-88.74	351.07	1.83	-86.91
O=C([O-])C1(O)CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005801232	0	31	-2.0	-90.94	290.49	1.50	-89.44
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)=C1	REAL300005801297	0	42	-2.0	-121.54	352.16	4.94	-116.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300005801298	0	45	-2.0	-115.39	372.85	5.44	-109.95
CC1=C(CC(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005801358	1	45	-2.0	-108.06	374.16	3.18	-104.88
O=C([O-])C1(O)CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005801403	0	32	-2.0	-88.81	291.54	3.02	-85.79
COC1=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005801411	1	35	-2.0	-89.34	304.10	-3.01	-92.35
CCOC1=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005801517	1	39	-2.0	-93.25	336.41	4.00	-89.25
O=C([O-])C1(O)CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005801521	0	42	-2.0	-121.06	346.48	5.12	-115.94
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300005801529	0	43	-2.0	-116.84	356.88	3.58	-113.26
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(O)(C(=O)[O-])C2)=CO1	REAL300005801549	1	36	-2.0	-89.07	318.34	-1.71	-90.78
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005801680	0	35	-2.0	-84.14	302.33	1.94	-82.20
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005801680	1	35	-2.0	-84.14	302.40	1.94	-82.20
COCC1=NC=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]1	REAL300005801957	1	37	-2.0	-105.82	316.97	-0.47	-106.29
O=C([O-])C1(O)CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005801998	1	40	-2.0	-101.63	330.35	2.47	-99.16
O=C([O-])C1(O)CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005802258	0	32	-2.0	-102.88	299.60	4.64	-98.24
CC1=C(C(=O)N2CCCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005802518	0	40	-2.0	-109.59	344.67	1.90	-107.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=C1	REAL300005803313	0	46	-2.0	-115.79	388.61	4.03	-111.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005803554	0	46	-2.0	-118.87	389.77	4.33	-114.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)O1	REAL300005803938	1	40	-2.0	-91.64	354.58	0.56	-91.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005804156	0	43	-2.0	-117.06	368.30	3.42	-113.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=CS1	REAL300005804471	1	47	-2.0	-113.67	399.14	4.99	-108.68
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC2(CC(C(=O)[O-])=NO2)C1	REAL300005804668	0	43	-2.0	-101.24	373.66	3.43	-97.81
CC1=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005804752	1	49	-2.0	-120.50	397.59	4.67	-115.83
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300005805755	1	36	-2.0	-98.31	311.35	4.48	-93.83
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300005805768	1	39	-2.0	-113.21	343.00	5.80	-107.41
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300005805810	0	36	-2.0	-96.82	308.32	2.88	-93.94
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300005805810	1	36	-2.0	-96.79	308.38	2.90	-93.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C=N1	REAL300005805896	0	42	-2.0	-108.69	365.81	2.55	-106.14
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300005805931	1	41	-2.0	-108.55	342.54	3.74	-104.81
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300005805972	1	35	-2.0	-94.89	300.04	2.61	-92.28
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300005806126	1	41	-2.0	-119.53	344.59	6.86	-112.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=N1	REAL300005806280	0	49	-2.0	-129.79	402.74	7.92	-121.87
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300005806410	0	36	-2.0	-96.72	326.75	5.00	-91.72
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300005806521	0	39	-2.0	-101.15	329.89	3.67	-97.48
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300005806521	1	39	-2.0	-101.22	329.95	3.68	-97.54
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300005806556	0	36	-2.0	-94.36	321.15	4.95	-89.41
CCOC1=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=CC(Cl)=C1[O-]	REAL300005806559	1	43	-2.0	-100.70	371.59	5.98	-94.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)=CO1	REAL300005806591	1	40	-2.0	-107.75	353.77	0.31	-107.44
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300005806753	0	39	-2.0	-90.12	337.47	3.91	-86.21
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300005806753	1	39	-2.0	-90.09	337.55	3.91	-86.18
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300005807040	0	34	-2.0	-97.27	297.87	2.92	-94.35
COCC1=NC=C(C(=O)N2CCCC3(CC(C(=O)[O-])=NO3)C2)C(=O)[N-]1	REAL300005807073	1	41	-2.0	-107.19	344.39	1.39	-105.80
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300005807122	1	44	-2.0	-107.36	365.65	4.46	-102.90
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300005807431	0	36	-2.0	-114.71	334.87	6.60	-108.11
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300005808545	0	36	-2.0	-91.87	330.25	5.84	-86.03
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300005808545	1	36	-2.0	-91.86	330.31	5.86	-86.00
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300005808567	1	35	-2.0	-90.39	315.62	5.19	-85.20
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300005808688	0	34	-2.0	-94.96	319.80	5.90	-89.06
CC[C@@H](CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300005809023	1	50	-2.0	-112.40	395.95	5.96	-106.44
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300005809342	0	40	-2.0	-108.99	338.12	3.77	-105.22
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005809593	1	44	-2.0	-101.02	383.87	6.02	-95.00
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300005809634	0	40	-2.0	-109.77	338.20	4.00	-105.77
CC[C@@H](CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300005809672	1	42	-2.0	-128.48	362.84	9.05	-119.43
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005809722	1	44	-2.0	-99.14	383.68	6.07	-93.07
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300005809724	1	47	-2.0	-97.70	397.38	6.75	-90.95
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005809839	1	44	-2.0	-106.11	377.27	6.01	-100.10
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005809840	1	44	-2.0	-107.96	377.43	5.98	-101.98
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300005809852	0	40	-2.0	-89.60	358.72	4.19	-85.41
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300005809978	1	47	-2.0	-98.71	398.87	6.66	-92.05
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005810062	0	41	-2.0	-104.08	369.21	5.01	-99.07
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005810079	1	43	-2.0	-98.94	362.79	2.34	-96.60
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005810080	1	34	-2.0	-97.98	309.17	-0.19	-98.17
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300005810192	1	47	-2.0	-108.29	398.85	6.63	-101.66
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300005810231	1	47	-2.0	-108.81	398.89	6.64	-102.17
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300005810303	0	44	-2.0	-113.88	372.53	2.01	-111.87
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005810351	0	37	-2.0	-108.16	316.73	3.10	-105.06
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005810359	0	41	-2.0	-106.01	369.40	5.01	-101.00
CC[C@@H](CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005810360	0	44	-2.0	-106.88	394.07	5.67	-101.21
CC[C@@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005810674	1	41	-2.0	-102.52	350.93	4.21	-98.31
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300005810848	0	37	-2.0	-102.16	323.15	3.16	-99.00
CC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005810857	1	43	-2.0	-107.94	360.87	4.35	-103.59
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC)CC(=O)[O-]	REAL300005810862	0	43	-2.0	-110.34	359.70	4.79	-105.55
CC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300005810913	1	43	-2.0	-111.43	341.95	4.60	-106.83
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005811020	1	44	-2.0	-97.87	377.46	5.98	-91.89
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300005811444	0	43	-2.0	-113.07	362.62	5.36	-107.71
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005811527	0	30	-2.0	-91.70	297.12	5.32	-86.38
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005811581	1	33	-2.0	-109.63	292.91	6.47	-103.16
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005811657	0	36	-2.0	-102.83	317.78	2.13	-100.70
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005811711	1	43	-2.0	-93.84	372.50	4.22	-89.62
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005811726	0	46	-2.0	-127.44	377.36	7.15	-120.29
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005811727	0	46	-2.0	-125.62	377.31	7.15	-118.47
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005811781	0	40	-2.0	-121.39	344.85	6.26	-115.13
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005811784	0	37	-2.0	-122.29	323.51	5.30	-116.99
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005811812	0	37	-2.0	-91.19	338.97	3.42	-87.77
CC[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300005811843	0	29	-2.0	-95.92	278.25	3.14	-92.78
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005811881	0	40	-2.0	-130.06	341.87	5.88	-124.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC)CC(=O)[O-])=N1	REAL300005811882	0	43	-2.0	-127.59	351.40	7.02	-120.57
CC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005811906	1	43	-2.0	-105.96	361.06	4.35	-101.61
CCOC1=CC(C(=O)N[C@@H](CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005811979	1	37	-2.0	-99.99	323.39	5.58	-94.41
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005811983	0	40	-2.0	-131.43	347.02	6.66	-124.77
CC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300005811989	0	41	-2.0	-125.17	346.60	4.53	-120.64
CC[C@@H](CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005812004	1	34	-2.0	-98.00	308.28	-0.23	-98.23
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005812466	0	30	-2.0	-106.15	286.94	6.49	-99.66
CC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300005812643	0	38	-2.0	-114.57	321.68	3.68	-110.89
COC1CN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CCC1C(=O)[O-]	REAL300005813409	0	45	-2.0	-108.83	375.51	3.71	-105.12
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005813718	0	45	-2.0	-106.80	374.73	4.43	-102.37
COC1CN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)CCC1C(=O)[O-]	REAL300005813765	1	47	-2.0	-102.40	393.95	9.24	-93.16
COC1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)CCC1C(=O)[O-]	REAL300005814201	1	48	-2.0	-95.39	397.23	2.45	-92.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)O1	REAL300005814202	1	39	-2.0	-94.86	342.46	0.00	-94.86
COC1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CCC1C(=O)[O-]	REAL300005814475	0	42	-2.0	-105.31	353.27	3.52	-101.79
COC1CN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CCC1C(=O)[O-]	REAL300005814826	1	46	-2.0	-103.31	384.25	4.59	-98.72
COC1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CCC1C(=O)[O-]	REAL300005815064	0	42	-2.0	-101.65	360.55	3.11	-98.54
COC1CN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)CCC1C(=O)[O-]	REAL300005815067	1	48	-2.0	-112.98	394.19	4.76	-108.22
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C(OC)C1	REAL300005815070	0	48	-2.0	-107.32	396.23	5.21	-102.11
COC1CN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CCC1C(=O)[O-]	REAL300005815151	1	48	-2.0	-112.30	383.03	4.92	-107.38
COC1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1C(=O)[O-]	REAL300005816184	1	38	-2.0	-105.39	329.36	5.85	-99.54
COC1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CCC1C(=O)[O-]	REAL300005816292	0	41	-2.0	-101.99	350.85	2.16	-99.83
COC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC1C(=O)[O-]	REAL300005816326	1	40	-2.0	-107.98	336.12	4.08	-103.90
COC1CN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])CCC1C(=O)[O-]	REAL300005816385	0	51	-2.0	-114.48	408.66	8.30	-106.18
COC1CN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])CCC1C(=O)[O-]	REAL300005816386	0	51	-2.0	-115.29	408.46	7.80	-107.49
COC1CN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])CCC1C(=O)[O-]	REAL300005816477	0	45	-2.0	-113.99	381.02	6.85	-107.14
COC1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1C(=O)[O-]	REAL300005816482	0	42	-2.0	-111.63	354.97	6.47	-105.16
COC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1C(=O)[O-]	REAL300005816514	1	40	-2.0	-116.48	332.80	6.42	-110.06
COC1CN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])CCC1C(=O)[O-]	REAL300005816673	0	45	-2.0	-117.95	373.23	7.05	-110.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)=N1	REAL300005816674	0	48	-2.0	-120.53	394.59	7.59	-112.94
COC1CN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)CCC1C(=O)[O-]	REAL300005816745	1	48	-2.0	-111.83	394.37	4.74	-107.09
COC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1C(=O)[O-]	REAL300005816797	0	35	-2.0	-90.87	311.99	5.25	-85.62
COC1=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)NC(=O)[N-]C1=O	REAL300005816810	1	38	-2.0	-93.35	325.04	-0.90	-94.25
COC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CCC1C(=O)[O-]	REAL300005816939	0	35	-2.0	-94.14	306.28	5.18	-88.96
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)=CC(Cl)=C1[O-]	REAL300005816942	1	42	-2.0	-95.14	356.85	6.23	-88.91
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C(OC)C3)=N2)C=C1	REAL300005816954	0	46	-2.0	-115.39	377.74	5.17	-110.22
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C(OC)C2)=CO1	REAL300005816977	1	39	-2.0	-92.73	338.74	0.51	-92.22
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1C(=O)[O-]	REAL300005817133	0	38	-2.0	-88.50	326.05	3.41	-85.09
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1C(=O)[O-]	REAL300005817133	1	38	-2.0	-88.53	326.11	3.42	-85.11
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C(OC)C2)C(=O)[N-]1	REAL300005817450	1	40	-2.0	-96.10	332.05	1.57	-94.53
COC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC1C(=O)[O-]	REAL300005817494	1	43	-2.0	-96.77	344.27	4.50	-92.27
COC1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1C(=O)[O-]	REAL300005817796	0	35	-2.0	-101.93	323.48	5.93	-96.00
COC1CN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)CCC1C(=O)[O-]	REAL300005818095	0	43	-2.0	-115.47	364.89	3.47	-112.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005819750	1	51	-2.0	-98.18	423.97	4.83	-93.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])O1	REAL300005819751	1	42	-2.0	-96.65	369.21	2.38	-94.27
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CS1	REAL300005820221	1	49	-2.0	-112.48	410.07	6.83	-105.65
CC1=C(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005820410	1	51	-2.0	-127.21	416.16	7.72	-119.49
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005821310	1	38	-2.0	-100.47	318.22	7.34	-93.13
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005821320	1	41	-2.0	-120.19	352.90	9.15	-111.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300005821404	0	44	-2.0	-104.64	377.91	4.72	-99.92
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005821428	1	43	-2.0	-113.09	355.45	6.18	-106.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)=C1	REAL300005821478	0	54	-2.0	-134.65	432.69	10.54	-124.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)C=C1	REAL300005821479	0	54	-2.0	-133.43	437.10	9.82	-123.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300005821546	0	48	-2.0	-129.19	400.18	9.64	-119.55
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005821551	0	45	-2.0	-130.10	379.09	8.63	-121.47
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005821581	1	43	-2.0	-135.15	351.98	9.56	-125.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)=C1	REAL300005821716	0	48	-2.0	-137.70	397.18	9.28	-128.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300005821717	0	51	-2.0	-135.62	406.71	10.42	-125.20
CC1=C(CC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005821775	1	51	-2.0	-125.90	416.35	7.72	-118.18
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005821830	0	38	-2.0	-97.53	338.44	7.24	-90.29
COC1=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005821841	1	41	-2.0	-98.39	340.19	2.94	-95.45
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300005821915	0	41	-2.0	-106.16	341.49	5.45	-100.71
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300005821915	1	41	-2.0	-106.14	341.54	5.46	-100.68
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005821945	0	38	-2.0	-98.39	328.02	7.84	-90.55
CCOC1=CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005821949	1	45	-2.0	-103.15	383.52	8.15	-95.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)C=C1	REAL300005821955	0	49	-2.0	-132.97	406.63	7.13	-125.84
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CC=CCC2)C(=O)[O-])=CO1	REAL300005821970	1	42	-2.0	-102.15	363.84	3.08	-99.07
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005822107	0	41	-2.0	-91.03	347.36	6.05	-84.98
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005822107	1	41	-2.0	-91.01	347.43	6.06	-84.95
COCC1=NC=C(C(=O)NC(CC2CC=CCC2)C(=O)[O-])C(=O)[N-]1	REAL300005822365	1	43	-2.0	-111.43	357.31	3.84	-107.59
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005822407	1	46	-2.0	-112.47	370.58	6.72	-105.75
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005822647	0	38	-2.0	-116.10	346.97	9.18	-106.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300005824200	1	38	-2.0	-98.75	361.26	2.33	-96.42
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CS1	REAL300005824635	1	45	-2.0	-117.61	403.08	6.72	-110.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005825703	1	34	-2.0	-100.20	313.80	6.60	-93.60
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005825714	1	37	-2.0	-116.56	344.11	9.13	-107.43
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300005825748	0	34	-2.0	-96.35	311.90	4.68	-91.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300005825748	1	34	-2.0	-96.34	311.95	4.70	-91.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300005825817	0	40	-2.0	-104.66	369.03	4.70	-99.96
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300005825877	1	33	-2.0	-104.02	303.29	4.73	-99.29
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005825960	0	41	-2.0	-127.76	374.78	7.88	-119.88
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005825991	1	39	-2.0	-132.57	348.77	8.72	-123.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300005826128	0	47	-2.0	-133.49	410.52	9.51	-123.98
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005826238	0	34	-2.0	-97.24	330.64	7.13	-90.11
COC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005826250	1	37	-2.0	-98.10	335.95	2.21	-95.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300005826328	0	37	-2.0	-106.62	333.64	5.39	-101.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300005826328	1	37	-2.0	-106.56	333.70	5.40	-101.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005826360	0	34	-2.0	-98.09	324.43	7.06	-91.03
CCOC1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005826363	1	41	-2.0	-102.49	375.48	8.10	-94.39
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=N2)C=C1	REAL300005826369	0	45	-2.0	-130.44	398.69	7.08	-123.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CO1	REAL300005826385	1	38	-2.0	-103.16	360.46	2.29	-100.87
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005826526	0	37	-2.0	-91.33	344.17	5.20	-86.13
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005826526	1	37	-2.0	-91.32	344.24	5.21	-86.11
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300005826758	0	32	-2.0	-101.98	295.68	5.10	-96.88
COCC1=NC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(=O)[N-]1	REAL300005826781	1	39	-2.0	-111.38	348.61	3.73	-107.65
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005827065	0	34	-2.0	-112.95	339.03	9.13	-103.82
COC1CC(NC(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005827815	1	52	-2.0	-113.20	417.86	5.20	-108.00
COC1CC(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)(C(=O)[O-])C1	REAL300005828366	1	44	-2.0	-131.80	380.71	8.07	-123.73
COC1CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)(C(=O)[O-])C1	REAL300005828728	1	45	-2.0	-99.30	384.71	1.59	-97.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)O1	REAL300005828729	1	36	-2.0	-98.23	331.09	-0.94	-99.17
COC1CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)(C(=O)[O-])C1	REAL300005829227	1	43	-2.0	-121.26	371.07	3.32	-117.94
COC1CC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)(C(=O)[O-])C1	REAL300005829419	1	45	-2.0	-121.24	380.88	3.51	-117.73
COC1CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005830208	1	35	-2.0	-129.14	314.79	5.36	-123.78
COC1CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])C1	REAL300005830285	0	38	-2.0	-108.40	339.57	1.39	-107.01
COC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005830303	1	37	-2.0	-111.03	317.82	2.74	-108.29
COC1CC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005830351	0	48	-2.0	-141.21	399.16	6.44	-134.77
COC1CC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005830352	0	48	-2.0	-140.20	399.09	6.44	-133.76
COC1CC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])(C(=O)[O-])C1	REAL300005830405	0	42	-2.0	-136.34	366.73	5.54	-130.80
COC1CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005830410	0	39	-2.0	-138.15	345.30	4.59	-133.56
COC1CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C1	REAL300005830430	1	37	-2.0	-142.05	318.58	4.98	-137.07
COC1CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300005830448	0	39	-2.0	-105.32	360.90	2.65	-102.67
COC1CC(NC(=O)C2=CN=C(I)C([O-])=C2)(C(=O)[O-])C1	REAL300005830488	0	31	-2.0	-104.14	298.30	2.32	-101.82
COC1CC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])(C(=O)[O-])C1	REAL300005830538	0	42	-2.0	-144.75	363.76	5.19	-139.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(OC)C2)=N1	REAL300005830539	0	45	-2.0	-143.21	380.20	6.26	-136.95
COC1CC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)(C(=O)[O-])C1	REAL300005830581	1	45	-2.0	-119.20	381.06	3.50	-115.70
COC1CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300005830618	0	32	-2.0	-99.35	298.58	3.74	-95.61
COC1=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)NC(=O)[N-]C1=O	REAL300005830624	1	35	-2.0	-104.54	306.59	-1.54	-106.08
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC(OC)C2)=CC(Cl)=C1[O-]	REAL300005830701	1	39	-2.0	-108.10	345.28	4.82	-103.28
COC1CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005830704	0	42	-2.0	-143.60	368.91	5.96	-137.64
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(OC)C3)=N2)C=C1	REAL300005830709	0	43	-2.0	-139.78	368.38	3.82	-135.96
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC(OC)C2)=CO1	REAL300005830720	1	36	-2.0	-111.89	330.21	-0.94	-112.83
COC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300005830825	0	35	-2.0	-94.89	314.00	1.92	-92.97
COC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300005830825	1	35	-2.0	-94.86	314.06	1.93	-92.93
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC(OC)C2)C(=O)[N-]1	REAL300005831041	1	37	-2.0	-110.70	319.05	0.47	-110.23
COC1CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005831077	1	40	-2.0	-111.13	333.58	3.29	-107.84
COC1CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C1	REAL300005831272	0	32	-2.0	-123.94	308.86	5.40	-118.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300005832486	1	40	-2.0	-118.27	357.38	9.25	-109.02
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)O1	REAL300005832849	1	41	-2.0	-95.31	361.08	2.56	-92.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)O1	REAL300005832850	1	32	-2.0	-94.10	306.31	0.13	-93.97
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=CS1	REAL300005833348	1	39	-2.0	-116.67	347.95	4.49	-112.18
O=C([O-])C1([N-]C(=O)C(F)(F)C2=CC=C(Br)C=C2)CC(F)(F)C1	REAL300005833890	1	30	-2.0	-116.02	299.08	6.29	-109.73
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC(F)(F)C1	REAL300005834388	1	31	-2.0	-123.11	290.01	6.41	-116.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300005834472	0	34	-2.0	-103.81	314.64	2.45	-101.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)=C1	REAL300005834542	0	44	-2.0	-134.59	374.54	7.51	-127.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)C=C1	REAL300005834543	0	44	-2.0	-133.60	374.47	7.52	-126.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300005834599	0	38	-2.0	-130.12	341.97	6.61	-123.51
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC(F)(F)C1	REAL300005834604	0	35	-2.0	-131.58	320.69	5.65	-125.93
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC(F)(F)C1	REAL300005834626	1	33	-2.0	-135.25	293.82	6.04	-129.21
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CC(F)(F)C1	REAL300005834688	0	27	-2.0	-103.62	275.10	3.48	-100.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)=C1	REAL300005834741	0	38	-2.0	-138.53	339.03	6.24	-132.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300005834742	0	41	-2.0	-136.22	348.36	7.39	-128.83
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC(F)(F)C1	REAL300005834831	0	28	-2.0	-95.33	279.32	5.19	-90.14
COC1=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)NC(=O)[N-]C1=O	REAL300005834837	1	31	-2.0	-100.40	281.83	-0.50	-100.90
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC(F)(F)C1	REAL300005834922	0	28	-2.0	-99.20	269.20	4.85	-94.35
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=CC(Cl)=C1[O-]	REAL300005834926	1	35	-2.0	-103.63	320.25	5.88	-97.75
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)C=C1	REAL300005834934	0	39	-2.0	-133.31	343.76	4.89	-128.42
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=CO1	REAL300005834946	1	32	-2.0	-107.63	305.18	0.13	-107.50
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL300005835062	0	31	-2.0	-90.60	289.22	2.99	-87.61
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL300005835062	1	31	-2.0	-90.55	289.29	2.99	-87.56
O=C([O-])C1([N-]C(=O)C(F)(F)C2=CC=CC(Br)=C2)CC(F)(F)C1	REAL300005835185	1	30	-2.0	-119.72	299.09	6.28	-113.44
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC(F)(F)C2)C(=O)[N-]1	REAL300005835294	1	33	-2.0	-104.51	294.90	1.46	-103.05
O=C([O-])C1([N-]C(=O)C(F)(F)C2=CC=CN=C2)CC(F)(F)C1	REAL300005835370	1	29	-2.0	-120.18	272.75	3.86	-116.32
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC(F)(F)C1	REAL300005835548	0	28	-2.0	-117.85	284.07	6.45	-111.40
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC(F)(F)C1	REAL300005835622	1	33	-2.0	-116.20	298.60	6.09	-110.11
CN1C=C(C(F)(F)C(=O)[N-]C2(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300005835896	1	30	-2.0	-118.22	282.25	3.47	-114.75
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC(F)(F)C1	REAL300005835911	1	33	-2.0	-120.14	298.61	6.09	-114.05
CO[C@H]1C[C@](NC(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005836280	1	52	-2.0	-121.18	416.70	5.49	-115.69
CO[C@H]1C[C@](NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)(C(=O)[O-])C1	REAL300005836831	1	44	-2.0	-131.53	380.26	8.09	-123.44
CO[C@H]1C[C@](NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)(C(=O)[O-])C1	REAL300005837193	1	45	-2.0	-96.83	382.81	1.50	-95.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)O1	REAL300005837194	1	36	-2.0	-100.38	329.56	-0.63	-101.01
CO[C@H]1C[C@](NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)(C(=O)[O-])C1	REAL300005837692	1	43	-2.0	-116.87	370.96	3.32	-113.55
CO[C@H]1C[C@](NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)(C(=O)[O-])C1	REAL300005837884	1	45	-2.0	-125.79	382.17	3.93	-121.86
CO[C@H]1C[C@](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005838673	1	35	-2.0	-124.57	312.99	5.26	-119.31
CO[C@H]1C[C@](NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])C1	REAL300005838750	0	38	-2.0	-105.08	337.95	1.28	-103.80
CO[C@H]1C[C@](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005838768	1	37	-2.0	-109.43	315.95	2.66	-106.77
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005838816	0	48	-2.0	-137.81	397.33	6.36	-131.45
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005838817	0	48	-2.0	-142.90	397.82	6.76	-136.14
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])(C(=O)[O-])C1	REAL300005838870	0	42	-2.0	-138.36	359.80	5.83	-132.53
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300005838875	0	39	-2.0	-134.80	343.43	4.52	-130.28
CO[C@H]1C[C@](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C1	REAL300005838895	1	37	-2.0	-144.96	317.08	5.27	-139.69
CO[C@H]1C[C@](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300005838913	0	39	-2.0	-104.55	359.56	2.95	-101.60
CO[C@H]1C[C@](NC(=O)C2=CN=C(I)C([O-])=C2)(C(=O)[O-])C1	REAL300005838953	0	31	-2.0	-108.08	298.75	2.70	-105.38
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])(C(=O)[O-])C1	REAL300005839003	0	42	-2.0	-147.74	362.43	5.46	-142.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=N1	REAL300005839004	0	45	-2.0	-145.68	371.88	6.62	-139.06
CO[C@H]1C[C@](NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)(C(=O)[O-])C1	REAL300005839046	1	45	-2.0	-123.56	381.43	3.89	-119.67
CO[C@H]1C[C@](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300005839083	0	32	-2.0	-100.24	298.57	3.75	-96.49
COC1=C(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)NC(=O)[N-]C1=O	REAL300005839089	1	35	-2.0	-101.07	304.63	-1.64	-102.71
CCOC1=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=CC(Cl)=C1[O-]	REAL300005839166	1	39	-2.0	-104.64	343.42	4.72	-99.92
CO[C@H]1C[C@](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300005839169	0	42	-2.0	-140.97	367.03	5.88	-135.09
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](OC)C3)=N2)C=C1	REAL300005839174	0	43	-2.0	-142.28	366.97	4.14	-138.14
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=CO1	REAL300005839185	1	36	-2.0	-110.33	329.17	-0.68	-111.01
CO[C@H]1C[C@](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300005839290	0	35	-2.0	-95.29	312.45	2.22	-93.07
CO[C@H]1C[C@](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300005839290	1	35	-2.0	-95.28	312.52	2.23	-93.05
COCC1=NC=C(C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C(=O)[N-]1	REAL300005839506	1	37	-2.0	-108.67	317.81	0.31	-108.36
CO[C@H]1C[C@](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300005839542	1	40	-2.0	-116.39	331.79	3.66	-112.73
CO[C@H]1C[C@](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C1	REAL300005839737	0	32	-2.0	-119.73	306.84	5.30	-114.43
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1(C(F)(F)F)CC1	REAL300005841377	1	33	-2.0	-128.50	306.32	7.17	-121.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)O1	REAL300005841420	1	35	-2.0	-92.42	336.98	0.76	-91.66
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=CS1	REAL300005841855	1	42	-2.0	-116.95	378.29	5.40	-111.55
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005841999	1	40	-2.0	-136.27	355.41	7.48	-128.79
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005842360	1	37	-2.0	-134.82	333.58	6.55	-128.27
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1(C(F)(F)F)CC1	REAL300005842923	1	31	-2.0	-100.69	291.08	5.00	-95.69
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1(C(F)(F)F)CC1	REAL300005842934	1	34	-2.0	-115.79	321.41	7.51	-108.28
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL300005842968	0	31	-2.0	-96.56	287.42	3.29	-93.27
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL300005842968	1	31	-2.0	-96.58	287.48	3.30	-93.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=N1	REAL300005843037	0	37	-2.0	-102.06	343.05	3.35	-98.71
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1(C(F)(F)F)CC1	REAL300005843097	1	30	-2.0	-103.34	278.81	3.34	-100.00
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1(C(F)(F)F)CC1	REAL300005843180	0	38	-2.0	-124.68	351.33	6.27	-118.41
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1(C(F)(F)F)CC1	REAL300005843211	1	36	-2.0	-132.62	325.23	7.13	-125.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300005843348	0	44	-2.0	-129.55	378.00	8.13	-121.42
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1(C(F)(F)F)CC1	REAL300005843458	0	31	-2.0	-96.70	305.97	5.80	-90.90
COC1=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)NC(=O)[N-]C1=O	REAL300005843470	1	34	-2.0	-92.81	313.13	0.85	-91.96
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL300005843548	0	34	-2.0	-103.12	310.03	3.83	-99.29
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL300005843548	1	34	-2.0	-103.11	310.09	3.85	-99.26
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1(C(F)(F)F)CC1	REAL300005843580	0	31	-2.0	-94.54	300.15	5.48	-89.06
CCOC1=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=CC(Cl)=C1[O-]	REAL300005843583	1	38	-2.0	-100.84	348.65	6.77	-94.07
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=N2)C=C1	REAL300005843589	0	42	-2.0	-130.34	375.14	5.50	-124.84
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=CO1	REAL300005843605	1	35	-2.0	-97.88	336.12	0.73	-97.15
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C(F)(F)F)CC1	REAL300005843746	0	34	-2.0	-86.73	319.89	3.63	-83.10
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C(F)(F)F)CC1	REAL300005843746	1	34	-2.0	-86.66	319.96	3.63	-83.03
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1(C(F)(F)F)CC1	REAL300005843978	0	29	-2.0	-101.21	272.23	3.55	-97.66
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C(=O)[N-]1	REAL300005844001	1	36	-2.0	-109.29	326.26	2.19	-107.10
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1(C(F)(F)F)CC1	REAL300005844093	1	32	-2.0	-127.98	304.77	5.41	-122.57
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1(C(F)(F)F)CC1	REAL300005844285	0	31	-2.0	-112.37	315.49	7.55	-104.82
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1(C(F)(F)F)CC1	REAL300005844366	1	35	-2.0	-126.18	321.33	5.23	-120.95
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005844367	0	36	-2.0	-121.71	325.70	8.26	-113.45
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1(C(F)(F)F)CC1	REAL300005844368	1	36	-2.0	-126.91	330.86	5.96	-120.95
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2(C(F)(F)F)CC2)=CS1	REAL300005844670	1	33	-2.0	-127.96	322.62	6.98	-120.98
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2(C(F)(F)F)CC2)C=N1	REAL300005844671	1	33	-2.0	-122.20	309.81	5.62	-116.58
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300005844691	0	36	-2.0	-125.54	325.66	8.26	-117.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)O1	REAL300005846417	1	47	-2.0	-91.48	376.92	1.82	-89.66
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)CCOCC1	REAL300005847799	1	43	-2.0	-99.17	331.18	5.58	-93.59
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)CCOCC1	REAL300005847814	1	46	-2.0	-116.23	368.50	7.98	-108.25
O=C([O-])C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOCC1	REAL300005847875	0	43	-2.0	-92.75	330.52	4.07	-88.68
O=C([O-])C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOCC1	REAL300005847875	1	43	-2.0	-92.74	330.57	4.09	-88.65
O=C([O-])C1(C2=CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)CCOCC1	REAL300005847961	1	48	-2.0	-97.20	368.21	4.99	-92.21
O=C([O-])C1(C2=CCN(C(=O)C3=CN=CC([O-])=C3)CC2)CCOCC1	REAL300005847987	1	42	-2.0	-101.61	319.70	3.62	-97.99
O=C([O-])C1(C2=CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)CCOCC1	REAL300005848115	1	48	-2.0	-120.78	364.24	8.62	-112.16
O=C([O-])C1(C2=CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)CCOCC1	REAL300005848379	0	43	-2.0	-96.91	352.42	6.32	-90.59
COC1=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)NC(=O)[N-]C1=O	REAL300005848398	1	46	-2.0	-93.79	361.51	0.17	-93.62
O=C([O-])C1(C2=CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCOCC1	REAL300005848487	0	46	-2.0	-100.38	352.01	4.86	-95.52
O=C([O-])C1(C2=CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCOCC1	REAL300005848487	1	46	-2.0	-100.39	352.07	4.87	-95.52
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)CCOCC1	REAL300005848519	0	43	-2.0	-95.50	340.98	6.07	-89.43
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)=CO1	REAL300005848549	1	47	-2.0	-100.83	374.86	1.47	-99.36
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCOCC1	REAL300005848673	0	46	-2.0	-89.89	365.71	5.32	-84.57
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCOCC1	REAL300005848673	1	46	-2.0	-89.86	365.78	5.35	-84.51
O=C([O-])C1(C2=CCN(C(=O)C3=C[N-]N=CC3=O)CC2)CCOCC1	REAL300005848893	0	41	-2.0	-89.27	315.55	4.08	-85.19
COCC1=NC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCOCC3)CC2)C(=O)[N-]1	REAL300005848922	1	48	-2.0	-96.93	369.99	2.64	-94.29
O=C([O-])C1(C2=CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)CCOCC1	REAL300005848963	1	51	-2.0	-118.16	394.57	5.86	-112.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300005850458	0	46	-2.0	-107.90	365.97	11.10	-96.80
CS(=O)(=O)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850459	0	42	-2.0	-134.79	360.58	5.66	-129.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005850460	0	40	-2.0	-118.22	333.04	8.67	-109.55
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850461	0	40	-2.0	-105.97	331.25	7.63	-98.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005850462	0	39	-2.0	-104.43	344.45	9.47	-94.96
CC1=CC(Cl)=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850463	0	40	-2.0	-103.39	351.10	9.59	-93.80
CC(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850464	0	40	-2.0	-105.16	327.28	8.67	-96.49
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850465	0	40	-2.0	-107.36	334.89	7.76	-99.60
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850466	0	41	-2.0	-106.11	344.47	7.68	-98.43
CC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850467	0	40	-2.0	-106.73	336.39	9.08	-97.65
COC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850468	0	41	-2.0	-110.08	343.54	8.12	-101.96
N#CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850469	0	38	-2.0	-105.60	335.80	8.80	-96.80
CCOC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850470	0	44	-2.0	-110.38	365.40	9.04	-101.34
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300005850471	0	40	-2.0	-104.43	350.42	9.50	-94.93
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCOC2=CC=CC=C2)C1	REAL300005850472	0	43	-2.0	-107.07	357.43	8.88	-98.19
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300005850473	0	45	-2.0	-110.39	382.59	8.45	-101.94
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3O2)C1	REAL300005850474	0	36	-2.0	-110.05	308.20	8.04	-102.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)S2)C1	REAL300005850475	0	30	-2.0	-101.45	291.83	7.14	-94.31
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300005850476	0	41	-2.0	-116.15	343.70	6.99	-109.16
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300005850477	0	47	-2.0	-107.26	391.15	10.69	-96.57
CCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850478	0	43	-2.0	-106.73	357.42	8.72	-98.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=CC=C2)C1	REAL300005850479	0	41	-2.0	-108.43	347.69	9.12	-99.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2Cl)C1	REAL300005850480	0	36	-2.0	-106.89	318.93	8.85	-98.04
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850481	0	40	-2.0	-106.44	336.38	9.07	-97.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(F)=C2)C1	REAL300005850482	0	33	-2.0	-108.66	288.13	7.63	-101.03
COC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850483	0	40	-2.0	-108.66	333.01	7.78	-100.88
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005850484	0	47	-2.0	-107.04	385.53	8.46	-98.58
COC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850485	0	43	-2.0	-106.65	355.11	8.62	-98.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC4=C(C=C23)CCC4)C1	REAL300005850486	0	46	-2.0	-110.13	378.14	10.69	-99.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2OC(F)F)C1	REAL300005850487	0	37	-2.0	-120.14	315.09	7.37	-112.77
CCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005850488	0	44	-2.0	-112.05	375.76	8.30	-103.75
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300005850489	0	41	-2.0	-111.86	353.90	7.35	-104.51
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850490	0	39	-2.0	-121.78	328.03	6.45	-115.33
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(F)C=C2)C1	REAL300005850491	0	37	-2.0	-104.27	321.39	8.45	-95.82
CC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850492	0	39	-2.0	-105.26	321.45	8.90	-96.36
CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850493	0	45	-2.0	-105.89	361.12	10.07	-95.82
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2F)C1	REAL300005850494	0	39	-2.0	-107.14	332.34	9.30	-97.84
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3S2)C1	REAL300005850495	0	36	-2.0	-118.95	311.42	8.84	-110.11
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3)=CS2)C1	REAL300005850496	0	40	-2.0	-105.80	346.11	9.89	-95.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=C(Cl)C=C2Cl)C1	REAL300005850497	0	33	-2.0	-100.64	318.97	8.48	-92.16
COC1=CC=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850498	0	40	-2.0	-111.78	331.98	7.68	-104.10
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2Br)C1	REAL300005850499	0	33	-2.0	-104.63	305.82	8.05	-96.58
COC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300005850500	0	43	-2.0	-115.62	374.63	8.37	-107.25
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2F)C1	REAL300005850501	0	33	-2.0	-115.83	297.73	8.06	-107.77
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005850502	0	36	-2.0	-114.89	300.67	8.18	-106.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=CC=C3C2)C1	REAL300005850503	0	41	-2.0	-116.97	329.82	8.25	-108.72
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850504	0	36	-2.0	-112.50	301.69	4.19	-108.31
COC1=CC(C#N)=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850505	0	42	-2.0	-107.83	364.33	8.52	-99.31
CC1=NN(C)C2=C1C=C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300005850506	0	39	-2.0	-115.12	335.94	7.12	-108.00
CN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300005850507	0	41	-2.0	-106.69	342.72	7.38	-99.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300005850508	0	44	-2.0	-111.64	357.40	8.51	-103.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)O2)C1	REAL300005850509	0	30	-2.0	-113.21	277.88	6.55	-106.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300005850510	0	36	-2.0	-117.19	319.71	8.95	-108.24
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300005850511	0	33	-2.0	-105.51	311.53	8.38	-97.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300005850512	0	33	-2.0	-104.66	312.13	8.39	-96.27
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(F)C=CC=C2F)C1	REAL300005850513	0	33	-2.0	-112.81	298.18	7.73	-105.08
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC	REAL300005850514	0	41	-2.0	-110.46	338.69	6.93	-103.53
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300005850515	0	41	-2.0	-119.56	334.26	6.10	-113.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2Cl)C1	REAL300005850516	0	33	-2.0	-118.76	291.14	8.00	-110.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300005850517	0	36	-2.0	-122.68	309.16	8.45	-114.23
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850518	0	37	-2.0	-114.87	305.62	6.82	-108.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300005850519	0	33	-2.0	-113.06	306.70	8.48	-104.58
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300005850520	0	37	-2.0	-116.86	313.96	7.04	-109.82
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850521	0	40	-2.0	-106.22	334.89	7.75	-98.47
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(Br)=C2)C1	REAL300005850522	0	37	-2.0	-104.04	335.59	8.99	-95.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300005850523	0	33	-2.0	-110.04	317.17	8.50	-101.54
COC1=CC=CC(OC)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850524	0	41	-2.0	-116.72	343.36	6.30	-110.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C=C2)C1	REAL300005850525	0	37	-2.0	-104.14	331.71	8.91	-95.23
COC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850526	0	41	-2.0	-110.78	343.22	8.34	-102.44
CC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850527	0	40	-2.0	-106.78	335.06	9.12	-97.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2Cl)C1	REAL300005850528	0	37	-2.0	-106.70	330.32	8.90	-97.80
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300005850529	0	43	-2.0	-105.91	357.12	9.70	-96.21
CC1=CC=C(Cl)C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850530	0	40	-2.0	-107.52	352.42	9.62	-97.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C3CCCC3=C2)C1	REAL300005850531	0	44	-2.0	-106.35	359.83	10.28	-96.07
CCCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850532	0	47	-2.0	-105.60	387.83	9.40	-96.20
CCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850533	0	44	-2.0	-105.91	366.33	8.60	-97.31
CC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850534	0	43	-2.0	-105.65	349.08	9.38	-96.27
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2Cl)C1	REAL300005850535	0	39	-2.0	-106.07	339.47	9.63	-96.44
CC(OC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850536	0	40	-2.0	-102.99	334.61	8.77	-94.22
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C(Cl)=C2)C1	REAL300005850537	0	37	-2.0	-103.92	336.79	9.53	-94.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3CC3)=C2)C1	REAL300005850538	0	36	-2.0	-119.42	304.21	7.76	-111.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCOCC2)C1	REAL300005850539	0	47	-2.0	-103.89	357.83	8.20	-95.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300005850540	0	47	-2.0	-110.86	357.69	8.27	-102.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300005850541	0	47	-2.0	-114.74	350.50	8.11	-106.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)C1	REAL300005850542	0	47	-2.0	-114.10	360.83	8.55	-105.55
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCOCC2)C=C1	REAL300005850543	0	51	-2.0	-115.19	380.77	7.49	-107.70
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)C1	REAL300005850544	0	47	-2.0	-112.02	346.67	8.42	-103.60
N#CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005850545	0	38	-2.0	-117.80	300.89	4.96	-112.84
CC(C)COC(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850546	0	42	-2.0	-104.86	337.66	7.76	-97.10
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C=C2)C1	REAL300005850547	0	39	-2.0	-104.02	333.87	9.36	-94.66
CC1=CC(=O)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005850548	0	45	-2.0	-123.69	380.62	8.83	-114.86
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850549	0	50	-2.0	-116.67	392.58	11.19	-105.48
CC(C)(C)C(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005850550	0	52	-2.0	-134.23	384.02	8.08	-126.15
CCOC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850551	0	40	-2.0	-125.18	327.19	8.01	-117.17
C=CCC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=C1	REAL300005850552	0	48	-2.0	-118.75	393.31	10.16	-108.59
CN1C=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC1=O	REAL300005850553	0	36	-2.0	-121.39	298.78	6.24	-115.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300005850554	0	45	-2.0	-118.81	374.88	7.74	-111.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3)C2)C1	REAL300005850555	0	41	-2.0	-115.34	340.50	8.38	-106.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NN=C(C3=CSC=C3)O2)C1	REAL300005850556	0	41	-2.0	-107.02	368.44	4.12	-102.90
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850557	0	39	-2.0	-112.56	323.55	5.12	-107.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCCO3)C1	REAL300005850558	0	39	-2.0	-111.19	325.48	7.00	-104.19
CC(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850559	0	42	-2.0	-113.00	343.69	6.04	-106.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CN3C=CC=CC3=N2)C1	REAL300005850560	0	39	-2.0	-123.61	326.47	9.11	-114.50
COC1=CC=C2OC(C)=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300005850561	0	43	-2.0	-134.15	359.13	8.15	-126.00
CC1=CC=C(C2=NC(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)O1	REAL300005850562	0	42	-2.0	-120.93	368.44	8.34	-112.59
CN1C=C(C2=NC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=N1	REAL300005850563	0	39	-2.0	-128.51	341.54	7.02	-121.49
CC1=CC=C(C2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)S2)O1	REAL300005850564	0	42	-2.0	-107.63	369.01	7.87	-99.76
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C(C)C)=N1	REAL300005850565	0	41	-2.0	-103.70	348.30	7.28	-96.42
CCCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005850566	0	41	-2.0	-103.26	350.14	7.42	-95.84
CCN1N=C(C(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850567	0	45	-2.0	-102.99	359.84	7.86	-95.13
CC1=NC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005850568	0	35	-2.0	-115.11	305.78	6.37	-108.74
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850569	0	38	-2.0	-107.02	322.51	7.31	-99.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3=NC=CC=N3)=N2)C1	REAL300005850570	0	40	-2.0	-117.64	360.06	6.75	-110.89
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C2=NC=CC=N2)=N1	REAL300005850571	0	40	-2.0	-110.92	355.44	6.29	-104.63
CCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005850572	0	45	-2.0	-115.66	369.41	7.69	-107.97
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NC=CS2)C1	REAL300005850573	0	35	-2.0	-104.38	311.56	6.38	-98.00
CC(C)OC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005850574	0	42	-2.0	-101.84	364.97	6.52	-95.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)C1	REAL300005850575	0	47	-2.0	-107.62	393.34	9.08	-98.54
CCC1=NC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005850576	0	38	-2.0	-115.63	327.28	7.13	-108.50
CC1=CN(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005850577	0	39	-2.0	-106.25	329.65	7.11	-99.14
CC(C)(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005850578	0	41	-2.0	-103.33	346.23	7.07	-96.26
CCOC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005850579	0	39	-2.0	-114.65	343.86	5.75	-108.90
COCC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005850580	0	36	-2.0	-115.29	320.73	5.02	-110.27
CCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850581	0	46	-2.0	-117.78	366.71	9.19	-108.59
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850582	0	42	-2.0	-108.87	356.32	7.30	-101.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCCCC3)N=C2)C1	REAL300005850583	0	50	-2.0	-116.83	376.29	8.49	-108.34
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850584	0	41	-2.0	-109.33	342.56	6.79	-102.54
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850585	0	46	-2.0	-107.54	398.07	10.32	-97.22
CC1=CC=CC2=C1N=CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C2=O	REAL300005850586	0	44	-2.0	-114.98	365.26	9.80	-105.18
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850587	0	41	-2.0	-102.85	346.82	8.45	-94.40
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005850588	0	44	-2.0	-106.76	359.78	6.50	-100.26
CC1=NN(C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850589	0	42	-2.0	-109.25	347.29	7.25	-102.00
CC1OC2=CC=CC=C2N(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300005850590	0	45	-2.0	-114.59	372.62	7.99	-106.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300005850591	0	48	-2.0	-118.73	391.30	10.07	-108.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=NC=N3)C=C2)C1	REAL300005850592	0	42	-2.0	-131.87	353.45	10.61	-121.26
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300005850593	0	39	-2.0	-110.16	343.12	5.59	-104.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC3=CC=CN=C23)C1	REAL300005850594	0	42	-2.0	-115.00	355.68	9.52	-105.48
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005850595	0	48	-2.0	-120.47	386.82	9.13	-111.34
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005850596	0	44	-2.0	-112.17	357.88	7.69	-104.48
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)C1	REAL300005850597	0	42	-2.0	-111.25	368.88	7.65	-103.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3C=CC=N3)N=C2)C1	REAL300005850598	0	39	-2.0	-115.10	330.16	7.98	-107.12
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NC(N3CCCC3)=NC=C2Cl)C1	REAL300005850599	0	43	-2.0	-109.34	364.96	8.54	-100.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CO3)=N2)C1	REAL300005850600	0	36	-2.0	-127.82	321.67	7.14	-120.68
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850601	0	38	-2.0	-110.30	329.29	7.44	-102.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC(=O)N(C3=CC=CC=C3)C2)C1	REAL300005850602	0	44	-2.0	-110.46	350.32	8.56	-101.90
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CC(OC1=CC=CC(C#N)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850667	0	41	-2.0	-105.10	349.03	9.10	-96.00
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NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005850669	0	36	-2.0	-108.52	309.52	3.21	-105.31
CC1=NN=C2C=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CN12	REAL300005850670	0	38	-2.0	-113.60	322.33	8.74	-104.86
NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005850671	0	34	-2.0	-102.55	307.95	3.27	-99.28
CC1OC2=C(C=CC=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)NC1=O	REAL300005850672	0	42	-2.0	-109.79	352.23	5.57	-104.22
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CCN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CC1=O	REAL300005850674	0	38	-2.0	-102.90	322.41	5.90	-97.00
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=CO1	REAL300005850675	0	38	-2.0	-111.17	315.30	5.48	-105.69
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CC(=O)N1CCC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300005850762	0	44	-2.0	-125.50	353.29	8.50	-117.00
CN1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850763	0	34	-2.0	-106.56	304.27	7.45	-99.11
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CC(C)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850779	0	48	-2.0	-104.97	387.68	11.22	-93.75
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CC1=NN(C)C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850820	0	39	-2.0	-121.60	324.53	6.54	-115.06
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COC1=CC=C(C2=NNC=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850823	0	44	-2.0	-119.52	362.13	6.93	-112.59
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CC(NC(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850825	0	40	-2.0	-106.64	349.94	5.84	-100.80
CC(=O)NCCNC(=O)CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850826	0	46	-2.0	-113.05	387.96	3.00	-110.05
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CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850830	0	43	-2.0	-103.23	349.19	9.09	-94.14
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850831	0	40	-2.0	-103.64	351.62	9.35	-94.29
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300005850832	0	55	-2.0	-120.59	404.37	11.63	-108.96
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CC(C)C1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850835	0	42	-2.0	-113.04	334.30	7.08	-105.96
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CC1=NOC(C2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005850837	0	41	-2.0	-129.15	343.38	7.75	-121.40
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005850838	0	35	-2.0	-118.96	296.39	3.36	-115.60
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CC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005850840	0	43	-2.0	-117.61	347.24	9.51	-108.10
CN(C)S(=O)(=O)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC=C1	REAL300005850841	0	41	-2.0	-115.16	357.10	4.69	-110.47
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COC1=CC=CC=C1CC(C)(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850844	0	49	-2.0	-108.25	372.96	9.14	-99.11
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CC(CSC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850847	0	43	-2.0	-104.50	362.66	10.14	-94.36
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CCC(OC1CCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850851	0	46	-2.0	-105.36	355.02	8.88	-96.48
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CC(C)N1C=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005850854	0	39	-2.0	-114.47	322.54	7.12	-107.35
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005850855	0	36	-2.0	-120.16	319.49	3.42	-116.74
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005850856	0	43	-2.0	-116.11	346.06	8.44	-107.67
CCN(CC)S(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850857	0	43	-2.0	-110.22	362.18	4.55	-105.67
CC1CCCC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005850858	0	46	-2.0	-116.07	355.55	9.23	-106.84
CC1=NOC(COCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005850859	0	38	-2.0	-110.52	332.12	4.50	-106.02
CC1CCC(=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005850860	0	43	-2.0	-114.54	329.81	9.22	-105.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2N=CN3N=CC=C3C2=O)C1	REAL300005850861	0	38	-2.0	-123.08	325.88	6.57	-116.51
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300005850862	0	38	-2.0	-127.71	305.16	3.19	-124.52
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300005850863	0	45	-2.0	-119.29	367.40	6.63	-112.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005850864	0	33	-2.0	-108.88	308.76	8.52	-100.36
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300005850865	0	47	-2.0	-116.98	377.09	8.51	-108.47
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005850866	0	41	-2.0	-116.67	333.37	6.68	-109.99
CC1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C1N2	REAL300005850867	0	50	-2.0	-123.96	389.62	10.52	-113.44
CCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005850868	0	45	-2.0	-104.69	360.30	10.26	-94.43
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005850869	0	37	-2.0	-109.37	318.70	7.95	-101.42
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NC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850871	0	39	-2.0	-129.39	323.32	3.54	-125.85
CC1=CC(C)=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005850872	0	46	-2.0	-106.59	377.50	10.49	-96.10
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CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005850874	0	47	-2.0	-103.82	397.60	5.25	-98.57
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850875	0	38	-2.0	-108.36	327.13	8.74	-99.62
CC(=O)NCCCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850876	0	45	-2.0	-109.98	370.65	6.16	-103.82
CC1=CC=C(CN2CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CC2=O)C=C1	REAL300005850877	0	50	-2.0	-110.32	401.93	9.91	-100.41
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CC1=CC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005850879	0	49	-2.0	-105.91	391.92	10.82	-95.09
CS(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005850880	0	41	-2.0	-118.31	346.69	4.15	-114.16
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CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850886	0	52	-2.0	-107.56	407.08	8.54	-99.02
CC1=CC=CC=C1C(=O)NC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005850887	0	52	-2.0	-106.21	404.92	8.96	-97.25
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005850888	0	43	-2.0	-106.01	372.32	9.11	-96.90
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CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1F	REAL300005850890	0	43	-2.0	-119.08	367.45	9.32	-109.76
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005850891	0	37	-2.0	-104.19	318.36	4.86	-99.33
CC1=CC=CC(COC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=C1	REAL300005850892	0	50	-2.0	-120.67	407.39	11.40	-109.27
CC(C)(C)C(=O)NCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005850893	0	48	-2.0	-108.01	386.40	6.64	-101.37
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CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005851006	0	39	-2.0	-106.90	324.35	8.80	-98.10
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CN1C(=O)CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005851036	0	44	-2.0	-111.92	356.79	8.27	-103.65
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CC(C)(C)C1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851042	0	49	-2.0	-104.97	400.74	11.33	-93.64
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CS(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005851044	0	44	-2.0	-112.80	361.19	4.36	-108.44
CN(C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300005851045	0	44	-2.0	-139.10	367.69	7.06	-132.04
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COC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851050	0	37	-2.0	-110.00	316.99	7.08	-102.92
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CC(=O)NCC(=O)NCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851061	0	40	-2.0	-106.07	343.01	1.60	-104.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851062	0	43	-3.0	-206.75	368.17	5.10	-201.65
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CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851071	0	46	-2.0	-105.88	378.82	9.51	-96.37
CC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851072	0	48	-2.0	-103.44	361.88	9.73	-93.71
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CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005851149	0	48	-2.0	-108.04	394.69	9.09	-98.95
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CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)O2)C=C1	REAL300005851229	0	45	-2.0	-126.51	379.80	10.11	-116.40
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CC(C)(C)SCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851231	0	39	-2.0	-104.00	324.77	7.95	-96.05
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851232	0	39	-2.0	-109.22	340.59	4.92	-104.30
CS(=O)(=O)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851233	0	42	-2.0	-135.81	361.20	5.71	-130.10
CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300005851234	0	51	-2.0	-107.91	416.55	10.01	-97.90
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CCOC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC	REAL300005851238	0	48	-2.0	-108.07	394.69	9.09	-98.98
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CC1CCC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)S2)C1	REAL300005851240	0	43	-2.0	-116.44	350.27	9.73	-106.71
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CC=N3)O2)C1	REAL300005851242	0	40	-2.0	-117.71	340.13	7.56	-110.15
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CC(C)CC(=O)NC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005851244	0	51	-2.0	-106.69	390.28	7.41	-99.28
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=NC=CS1	REAL300005851245	0	43	-2.0	-122.13	364.89	9.46	-112.67
CC(C)C1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851246	0	46	-2.0	-105.64	374.51	10.27	-95.37
CC(C)C1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1	REAL300005851247	0	49	-2.0	-105.30	387.50	10.58	-94.72
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851248	0	52	-2.0	-106.64	407.31	11.32	-95.32
CC1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(C)C	REAL300005851249	0	52	-2.0	-106.07	405.86	11.18	-94.89
CC(OC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851250	0	40	-2.0	-105.48	334.61	8.77	-96.71
CC(NC(=O)C1CCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851251	0	46	-2.0	-105.55	365.45	6.43	-99.12
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851252	0	42	-2.0	-103.44	372.86	10.20	-93.24
NC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851253	0	42	-2.0	-107.77	355.06	3.60	-104.17
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCCC	REAL300005851254	0	53	-2.0	-116.10	420.66	10.15	-105.95
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CS2)C1	REAL300005851255	0	36	-2.0	-103.70	317.00	8.35	-95.35
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)NC2=C1C(=O)CCC2	REAL300005851256	0	43	-2.0	-118.99	349.58	7.52	-111.47
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CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851258	0	37	-2.0	-120.22	314.47	8.43	-111.79
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851259	0	45	-2.0	-125.86	367.52	8.22	-117.64
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CC1=CC=C(SCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005851261	0	46	-2.0	-105.78	384.65	10.95	-94.83
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851262	0	40	-2.0	-107.69	335.01	7.12	-100.57
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851263	0	52	-2.0	-105.09	404.36	11.03	-94.06
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CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851268	0	46	-2.0	-108.61	377.75	11.16	-97.45
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CCS(=O)(=O)NC(CCSC)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851270	0	47	-2.0	-115.51	406.41	4.24	-111.27
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NS(=O)(=O)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851272	0	41	-2.0	-132.31	353.81	3.12	-129.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)N2)C1	REAL300005851273	0	41	-2.0	-117.95	336.81	9.35	-108.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300005851274	0	40	-2.0	-120.36	338.28	8.80	-111.56
CC(C)C1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005851275	0	40	-2.0	-116.36	340.31	8.05	-108.31
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CC(=O)C1=CC=CC(OCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851277	0	48	-2.0	-112.89	399.52	9.34	-103.55
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CC1=CC=C(C)C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851321	0	43	-2.0	-105.96	355.78	9.75	-96.21
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CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005851323	0	43	-2.0	-106.20	352.70	9.58	-96.62
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CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851328	0	44	-2.0	-113.75	372.45	5.47	-108.28
CCC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851329	0	43	-2.0	-106.26	357.87	9.83	-96.43
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CC(NC(=O)C1=COC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851337	0	40	-2.0	-108.12	341.05	4.81	-103.31
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851338	0	47	-2.0	-132.57	382.16	10.13	-122.44
CC(=O)NC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300005851339	0	43	-2.0	-136.11	348.48	7.25	-128.86
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851340	0	41	-2.0	-110.11	365.99	3.52	-106.59
CCCS(=O)(=O)N1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851341	0	50	-2.0	-112.63	393.04	6.88	-105.75
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CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300005851343	0	37	-2.0	-118.24	323.11	2.89	-115.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851344	0	43	-3.0	-205.55	367.34	5.32	-200.23
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COC1=CC=C(SC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851347	0	44	-2.0	-105.18	374.15	8.82	-96.36
CC(SC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851348	0	40	-2.0	-105.77	353.18	9.76	-96.01
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CC1=NC2=CC(F)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2N=C1C	REAL300005851350	0	43	-2.0	-124.56	357.22	7.32	-117.24
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CCSCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851352	0	43	-2.0	-108.46	367.54	10.16	-98.30
COC1=CC=CC2=C1OCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)=C2	REAL300005851353	0	43	-2.0	-107.83	360.52	7.95	-99.88
CC(C)NC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851354	0	48	-2.0	-129.46	387.34	6.65	-122.81
CC(C)(C)CC(=O)NCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851355	0	45	-2.0	-104.78	358.22	5.84	-98.94
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COCCOC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851359	0	44	-2.0	-131.29	360.82	7.38	-123.91
COCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851360	0	44	-2.0	-121.04	359.69	6.96	-114.08
CC1=CC=C(C)N1C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C	REAL300005851361	0	47	-2.0	-120.22	386.92	9.86	-110.36
CCCC(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851362	0	46	-2.0	-121.66	358.50	8.19	-113.47
CCCC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005851363	0	49	-2.0	-127.19	378.40	8.27	-118.92
CCCC(=O)N1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851364	0	49	-2.0	-122.06	378.35	9.49	-112.57
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005851368	0	42	-2.0	-103.09	346.62	9.76	-93.33
CC(=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005851369	0	40	-2.0	-104.52	340.54	9.79	-94.73
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC3=CC=CC=C3C=C2)C1	REAL300005851370	0	45	-2.0	-117.11	365.81	11.52	-105.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300005851371	0	40	-2.0	-116.25	349.60	9.12	-107.13
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300005851445	0	42	-2.0	-105.45	357.90	10.22	-95.23
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CC(CCC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851449	0	45	-2.0	-117.45	364.80	10.52	-106.93
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CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)S1	REAL300005851451	0	36	-2.0	-113.23	326.89	8.76	-104.47
CCCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851452	0	49	-2.0	-105.63	400.31	10.32	-95.31
CC1CCC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005851453	0	43	-2.0	-105.12	343.92	7.34	-97.78
CC(=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005851454	0	43	-2.0	-104.89	373.55	10.77	-94.12
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CC(CCOC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851458	0	46	-2.0	-106.36	371.73	9.17	-97.19
CC1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005851459	0	38	-2.0	-125.70	331.88	9.18	-116.52
CCC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851460	0	43	-2.0	-108.08	349.17	9.34	-98.74
CC1=C(C)C=C2OC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=C1	REAL300005851461	0	42	-2.0	-120.93	341.89	9.77	-111.16
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C2CCCC2)=N1	REAL300005851462	0	45	-2.0	-114.25	366.83	8.66	-105.59
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CCOC1=C(F)C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851464	0	40	-2.0	-107.77	337.57	7.99	-99.78
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300005851465	0	44	-2.0	-124.01	371.31	7.96	-116.05
CCCOC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851466	0	43	-2.0	-110.02	370.68	9.25	-100.77
CCC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)O2)C=C1	REAL300005851467	0	46	-2.0	-123.25	378.55	11.04	-112.21
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)N1	REAL300005851468	0	46	-2.0	-119.52	382.97	8.53	-110.99
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005851569	0	42	-2.0	-106.63	345.26	9.73	-96.90
CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C21	REAL300005851570	0	40	-2.0	-128.36	329.36	9.24	-119.12
COC1=CC=CC=C1C(C)=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851571	0	44	-2.0	-109.82	363.85	9.12	-100.70
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CCN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851573	0	46	-2.0	-129.88	365.78	8.26	-121.62
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CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005851575	0	48	-2.0	-108.85	404.07	8.37	-100.48
CC1=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)N2N=CC=C2N1	REAL300005851576	0	42	-2.0	-124.96	353.58	6.67	-118.29
CC(C)OC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851577	0	43	-2.0	-126.13	343.66	9.02	-117.11
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CNC(=O)C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300005851579	0	40	-2.0	-109.08	325.04	4.46	-104.62
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CC(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851581	0	35	-2.0	-122.08	308.56	6.93	-115.15
COC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC=C1	REAL300005851582	0	34	-2.0	-121.87	295.14	5.84	-116.03
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C(F)=C2)C=C1C	REAL300005851583	0	49	-2.0	-123.10	394.98	12.19	-110.91
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CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C(F)=C2)C=C1	REAL300005851585	0	46	-2.0	-122.86	378.01	11.66	-111.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(Cl)=C2)C1	REAL300005851586	0	36	-2.0	-105.94	322.80	8.99	-96.95
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005851587	0	42	-2.0	-109.15	337.73	9.55	-99.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC=C2)C1	REAL300005851588	0	42	-2.0	-106.11	348.95	10.07	-96.04
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005851589	0	36	-2.0	-114.76	309.40	8.55	-106.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C=CS2)C1	REAL300005851590	0	30	-2.0	-113.09	285.11	7.12	-105.97
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCCC2)C=C1	REAL300005851591	0	50	-2.0	-109.65	378.93	9.90	-99.75
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851592	0	46	-2.0	-106.48	377.78	9.35	-97.13
CC1=CC=C(C)C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851593	0	42	-2.0	-118.76	335.76	9.59	-109.17
CN1N=C(C(C)(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851594	0	45	-2.0	-113.24	353.58	7.69	-105.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3Cl)=NN2)C1	REAL300005851595	0	40	-2.0	-105.44	350.74	8.48	-96.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC=C3Cl)=C2)C1	REAL300005851595	1	40	-2.0	-112.97	354.24	8.35	-104.62
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CC(C)C1=NNC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851597	0	39	-2.0	-101.65	320.94	6.10	-95.55
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300005851597	1	39	-2.0	-120.20	317.23	6.46	-113.74
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=C(F)C=C3)=NN2)C1	REAL300005851598	0	40	-2.0	-101.70	347.59	7.81	-93.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=C(F)C=C3)=C2)C1	REAL300005851598	1	40	-2.0	-118.42	340.89	8.13	-110.29
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300005851600	0	40	-2.0	-103.40	351.38	8.25	-95.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005851601	0	39	-2.0	-106.51	342.51	9.04	-97.47
CC(OC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851602	0	40	-2.0	-106.78	345.19	9.28	-97.50
CC1=CC(Br)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851603	0	36	-2.0	-112.32	314.23	8.75	-103.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3CC3)=NN2)C1	REAL300005851604	0	37	-2.0	-112.38	305.32	6.42	-105.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3CC3)=C2)C1	REAL300005851604	1	37	-2.0	-120.36	308.61	6.68	-113.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2SC(F)(F)F)C1	REAL300005851605	0	37	-2.0	-117.10	330.58	8.93	-108.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC(Cl)=C3)=NN2)C1	REAL300005851606	0	40	-2.0	-101.78	355.10	8.32	-93.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300005851606	1	40	-2.0	-119.29	349.81	8.56	-110.73
CC1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851607	0	36	-2.0	-114.32	302.54	8.20	-106.12
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300005851608	0	33	-2.0	-112.97	311.26	8.58	-104.39
CCN1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851609	0	39	-2.0	-102.34	319.62	6.59	-95.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2CCCC3)C1	REAL300005851610	0	39	-2.0	-111.80	317.28	7.94	-103.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC(Br)=C2)C1	REAL300005851611	0	33	-2.0	-110.03	302.41	8.14	-101.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005851612	0	40	-2.0	-104.03	353.70	9.39	-94.64
CC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851613	0	42	-2.0	-104.16	342.12	9.73	-94.43
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300005851614	0	50	-2.0	-109.70	393.12	9.31	-100.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(F)=C2Cl)C1	REAL300005851615	0	33	-2.0	-106.01	302.22	7.97	-98.04
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OC(F)F)=C2)C1	REAL300005851616	0	40	-2.0	-109.02	345.32	8.06	-100.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC=C(F)C=C23)C1	REAL300005851617	0	40	-2.0	-117.31	335.99	8.54	-108.77
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2N2C=CC=N2)C1	REAL300005851618	0	40	-2.0	-129.98	329.41	9.10	-120.88
COC1=CC=C(Cl)C=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851619	0	41	-2.0	-110.34	359.29	8.84	-101.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC(F)F)C1	REAL300005851620	0	40	-2.0	-107.91	342.76	8.06	-99.85
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC=C2Br)C1	REAL300005851621	0	39	-2.0	-106.04	342.98	9.70	-96.34
CC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851622	0	36	-2.0	-108.87	308.10	8.13	-100.74
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851623	0	38	-2.0	-123.54	316.09	7.86	-115.68
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=NO1	REAL300005851624	0	42	-2.0	-111.99	361.81	9.54	-102.45
CCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851625	0	40	-2.0	-118.73	326.06	7.68	-111.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2Br)C1	REAL300005851626	0	36	-2.0	-106.68	322.91	8.94	-97.74
CC1=C(Br)C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851627	0	36	-2.0	-103.73	317.22	8.60	-95.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CNC3=CC(F)=CC=C23)C1	REAL300005851628	0	40	-2.0	-108.70	343.71	8.58	-100.12
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(Cl)C=C2Cl)C1	REAL300005851629	0	39	-2.0	-102.84	357.27	10.18	-92.66
CCCCC1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005851630	0	51	-2.0	-116.86	381.75	10.67	-106.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CSC2=CC=CC=C2)C1	REAL300005851631	0	37	-2.0	-104.23	323.90	8.97	-95.26
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851632	0	49	-2.0	-121.66	404.05	10.37	-111.29
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005851633	0	38	-2.0	-118.16	319.25	8.66	-109.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005851634	0	45	-2.0	-109.09	390.03	7.57	-101.52
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851635	0	43	-2.0	-106.03	356.96	8.59	-97.44
CC1=CC=CC(OC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851636	0	43	-2.0	-106.24	351.32	9.45	-96.79
CC1=C(C(C)C)C=C2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=COC2=C1	REAL300005851637	0	51	-2.0	-110.23	410.13	11.24	-98.99
CC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=COC2=C1	REAL300005851638	0	42	-2.0	-108.77	353.98	9.47	-99.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=C2C2=C(C=CC=C2)C=C3)C1	REAL300005851639	0	45	-2.0	-121.63	366.91	10.89	-110.74
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300005851640	0	53	-2.0	-116.63	420.08	10.09	-106.54
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC=CC=C3S2)C1	REAL300005851641	0	39	-2.0	-110.56	349.14	8.67	-101.89
CC1=CC=CC(C)=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851642	0	43	-2.0	-106.57	356.10	9.84	-96.73
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC(F)F	REAL300005851643	0	41	-2.0	-110.93	346.38	7.24	-103.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCNC(=O)C2=CC=CO2)C1	REAL300005851644	0	40	-2.0	-110.74	346.77	4.94	-105.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)C1	REAL300005851645	0	49	-2.0	-109.20	407.71	9.07	-100.13
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851646	0	44	-2.0	-103.78	377.05	4.59	-99.19
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851647	0	50	-2.0	-111.54	412.33	11.14	-100.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851648	0	46	-2.0	-118.63	379.40	9.87	-108.76
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851649	0	43	-2.0	-118.64	374.91	9.74	-108.90
CCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005851650	0	51	-2.0	-107.77	416.19	9.89	-97.88
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(Br)=C2)C1	REAL300005851651	0	39	-2.0	-103.25	348.07	9.88	-93.37
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=C1	REAL300005851652	0	41	-2.0	-116.84	337.12	7.13	-109.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300005851653	0	42	-2.0	-105.31	380.88	11.04	-94.27
CC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCCCC2)=C1	REAL300005851654	0	52	-2.0	-115.47	379.86	11.20	-104.27
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005851655	0	42	-2.0	-109.03	342.29	9.66	-99.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2C2=CC=CC=C2)C1	REAL300005851656	0	41	-2.0	-122.01	339.92	9.11	-112.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300005851657	0	43	-2.0	-109.72	364.42	9.69	-100.03
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851658	0	49	-2.0	-111.02	404.51	10.65	-100.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C([N+](=O)[O-])C=C3)C=C2)C1	REAL300005851659	0	42	-2.0	-117.55	366.75	9.83	-107.72
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2)O1	REAL300005851660	0	40	-2.0	-103.29	343.38	6.76	-96.53
CC1=CC(C)=NN1C(C)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851661	0	45	-2.0	-105.99	365.98	8.15	-97.84
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851662	0	47	-2.0	-107.44	387.52	8.33	-99.11
CCOC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300005851662	1	47	-2.0	-113.36	391.78	8.44	-104.92
CC(C)(C)N1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1CC1	REAL300005851663	0	49	-2.0	-129.05	380.21	9.56	-119.49
CC1=CC(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CC2)=CC(C)=C1	REAL300005851664	0	46	-2.0	-116.23	366.50	10.68	-105.55
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C(C)(C)C	REAL300005851665	0	45	-2.0	-127.28	348.74	8.07	-119.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)N=CS2)C1	REAL300005851666	0	29	-2.0	-114.29	275.51	5.11	-109.18
CCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C(C)(C)C	REAL300005851667	0	48	-2.0	-120.28	362.03	8.00	-112.28
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC(Br)=C1	REAL300005851668	0	33	-2.0	-115.19	297.66	7.29	-107.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3NC(=O)C4=CC=CC=C4N3N=C2)C1	REAL300005851669	0	42	-2.0	-121.40	352.84	7.27	-114.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=NC=CC=N3)=NO2)C1	REAL300005851670	0	42	-2.0	-113.09	368.38	5.16	-107.93
COC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C2=CC=CC=C2)=C1	REAL300005851671	0	44	-2.0	-125.95	373.72	9.53	-116.42
CCN1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851672	0	37	-2.0	-107.26	325.22	8.35	-98.91
CC(C)N1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851673	0	40	-2.0	-107.05	344.32	8.90	-98.15
CCC1=NC=NC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851674	0	37	-2.0	-111.75	302.85	6.73	-105.02
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1Cl	REAL300005851675	0	39	-2.0	-112.85	336.49	7.32	-105.53
CCCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)NC(C)=C1C(C)=O	REAL300005851677	0	48	-2.0	-116.38	390.88	8.46	-107.92
CC1=NN2C=CC=NC2=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851678	0	38	-2.0	-130.79	323.53	7.20	-123.59
CCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851679	0	38	-2.0	-116.47	330.55	4.25	-112.22
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(NC(=O)C3=CC=CO3)=CC=C2)C1	REAL300005851680	0	44	-2.0	-116.53	370.15	7.48	-109.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC3CC3)C=C2)C1	REAL300005851681	0	44	-2.0	-114.54	359.14	9.34	-105.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300005851682	0	40	-2.0	-109.31	343.74	7.60	-101.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCOCC2=CC=CC=C2)C1	REAL300005851683	0	43	-2.0	-104.48	360.80	8.56	-95.92
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C=C2Cl)C1	REAL300005851684	0	37	-2.0	-110.49	341.13	9.46	-101.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005851685	0	35	-2.0	-116.84	304.36	8.18	-108.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2Br)C1	REAL300005851686	0	33	-2.0	-117.83	295.12	8.09	-109.74
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=CC=CC=C32)C1	REAL300005851687	0	42	-2.0	-109.30	348.06	10.59	-98.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CNC(=O)C2=CC=CC=C2)C1	REAL300005851688	0	40	-2.0	-106.52	339.73	6.22	-100.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Br)C=C2)C1	REAL300005851689	0	33	-2.0	-110.84	297.47	8.13	-102.71
CC1=CC=C(C)C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851690	0	43	-2.0	-104.82	363.81	10.21	-94.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300005851691	0	33	-2.0	-110.87	292.91	8.04	-102.83
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851692	0	45	-2.0	-116.18	352.29	9.83	-106.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2NC2=CC=CC=C2)C1	REAL300005851693	0	45	-2.0	-118.79	364.47	10.13	-108.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005851694	0	35	-2.0	-107.52	304.35	8.18	-99.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300005851695	0	44	-2.0	-106.68	367.28	10.22	-96.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300005851696	0	36	-2.0	-109.92	314.87	8.51	-101.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300005851697	0	33	-2.0	-114.40	291.45	7.98	-106.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005851698	0	36	-2.0	-114.53	313.44	8.46	-106.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300005851699	0	35	-2.0	-126.70	317.53	9.53	-117.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300005851700	0	39	-2.0	-105.30	342.35	9.62	-95.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300005851701	0	39	-2.0	-124.77	321.76	9.73	-115.04
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)C1	REAL300005851702	0	47	-2.0	-107.85	352.74	9.57	-98.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)C1	REAL300005851703	0	47	-2.0	-123.77	369.64	9.93	-113.84
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851704	0	45	-2.0	-110.48	386.73	7.55	-102.93
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=NC3=CC=CC=C3C(=O)N2)C1	REAL300005851705	0	47	-2.0	-113.42	393.53	8.55	-104.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3CCCC3=C2)C1	REAL300005851706	0	43	-2.0	-107.84	351.61	10.39	-97.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3O2)C1	REAL300005851707	0	38	-2.0	-122.50	310.01	8.52	-113.98
CC1CC1C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005851708	0	46	-2.0	-105.93	380.30	10.49	-95.44
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005851709	0	36	-2.0	-120.59	315.59	6.26	-114.33
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC(Cl)=CC=C3N2)C1	REAL300005851710	0	37	-2.0	-111.53	322.22	8.44	-103.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)C1	REAL300005851711	0	47	-2.0	-114.16	391.31	9.40	-104.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3NN=CC3=CC=C2)C1	REAL300005851712	0	36	-2.0	-125.89	302.53	6.20	-119.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CNN=C32)C1	REAL300005851712	1	36	-2.0	-136.54	303.75	6.29	-130.25
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=C1	REAL300005851713	0	40	-2.0	-115.70	326.88	8.60	-107.10
CC1=NNC(=O)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005851714	0	38	-2.0	-135.04	313.98	4.48	-130.56
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300005851715	0	43	-2.0	-116.03	358.04	9.10	-106.93
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=NN2C(C)=C1	REAL300005851716	0	41	-2.0	-133.92	340.93	7.57	-126.35
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C(C2=CC=CO2)S1	REAL300005851717	0	39	-2.0	-130.25	340.18	7.95	-122.30
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300005851718	0	44	-2.0	-122.56	362.75	4.89	-117.67
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC(C)=CC=C1	REAL300005851719	0	46	-2.0	-120.45	373.10	9.70	-110.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(F)(F)C2=CC=CC=C2)C1	REAL300005851720	0	36	-2.0	-106.09	313.30	8.45	-97.64
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN2CC2=CC=CC=C2)C1	REAL300005851721	0	44	-2.0	-125.14	355.75	10.81	-114.33
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NC(C3=CC=CO3)=NO2)C1	REAL300005851722	0	41	-2.0	-107.96	359.16	5.92	-102.04
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=C(C)C=C1	REAL300005851723	0	46	-2.0	-119.93	372.17	9.70	-110.23
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851724	0	47	-2.0	-115.44	393.22	5.72	-109.72
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851725	0	44	-2.0	-115.50	371.73	4.93	-110.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300005851726	0	38	-2.0	-106.61	333.60	9.13	-97.48
CN1C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005851727	0	40	-2.0	-118.41	322.58	8.99	-109.42
COC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851728	0	37	-2.0	-118.45	322.03	7.63	-110.82
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005851729	0	39	-2.0	-108.49	330.76	8.24	-100.25
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005851730	0	40	-2.0	-105.32	331.86	8.25	-97.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC=C2F)C1	REAL300005851731	0	36	-2.0	-115.94	309.98	8.55	-107.39
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300005851732	0	36	-2.0	-114.87	313.43	8.64	-106.23
COC1=C2OC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=CC=C1	REAL300005851733	0	40	-2.0	-115.82	337.72	7.32	-108.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300005851734	0	38	-2.0	-125.42	339.84	10.02	-115.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3Cl)=C2)C1	REAL300005851735	0	39	-2.0	-123.39	346.86	9.59	-113.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CC=C3F)=C2)C1	REAL300005851736	0	39	-2.0	-124.68	338.37	9.21	-115.47
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851737	0	39	-2.0	-116.71	334.34	8.22	-108.49
CC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851738	0	42	-2.0	-104.50	340.95	9.51	-94.99
CN1C=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005851739	0	43	-2.0	-119.95	351.93	10.20	-109.75
COC1=CC=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300005851740	0	44	-2.0	-120.77	359.04	7.77	-113.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCOCC2=CC=CC=C2)C1	REAL300005851741	0	46	-2.0	-106.66	382.30	9.32	-97.34
CC1=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300005851742	0	43	-2.0	-110.89	356.74	9.01	-101.88
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300005851743	0	36	-2.0	-111.95	301.41	8.16	-103.79
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851744	0	39	-2.0	-106.67	327.47	9.16	-97.51
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005851745	0	40	-2.0	-116.68	323.06	7.39	-109.29
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300005851746	0	40	-2.0	-108.46	357.64	10.27	-98.19
CCCCN1N=C(C)C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300005851747	0	49	-2.0	-106.96	420.59	10.14	-96.82
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851748	0	45	-2.0	-119.21	385.15	5.03	-114.18
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851749	0	44	-2.0	-119.36	372.34	4.49	-114.87
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851750	0	47	-2.0	-105.47	396.77	5.06	-100.41
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005851751	0	42	-2.0	-109.14	324.04	8.98	-100.16
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCN2C=CC3=CC=CC=C32)C1	REAL300005851752	0	43	-2.0	-104.33	359.59	10.45	-93.88
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CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851754	0	40	-2.0	-103.69	361.93	9.79	-93.90
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CC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005851801	0	54	-2.0	-123.11	409.61	7.89	-115.22
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CCOC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851804	0	44	-2.0	-110.92	365.07	9.27	-101.65
CC(C)COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851805	0	46	-2.0	-119.15	367.67	9.18	-109.97
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851806	0	40	-2.0	-104.91	344.93	9.22	-95.69
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005851809	0	45	-2.0	-103.70	379.64	10.75	-92.95
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CC(C)CCSCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851812	0	42	-2.0	-103.51	350.46	8.93	-94.58
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CC(C)CCOC(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851814	0	45	-2.0	-104.49	356.62	8.37	-96.12
CC(OCC1CCCCO1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851815	0	47	-2.0	-108.71	370.48	7.57	-101.14
CC(OCC1CCCO1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851816	0	44	-2.0	-109.85	353.03	6.68	-103.17
CC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851817	0	48	-2.0	-104.71	391.17	11.50	-93.21
CC1=CC=C(C)C(OCCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851818	0	52	-2.0	-106.03	419.73	11.05	-94.98
CC1=CC=CC(OCCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851819	0	49	-2.0	-106.77	400.33	10.33	-96.44
CC(C)OC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851820	0	46	-2.0	-106.73	375.35	9.34	-97.39
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CC(CC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851826	0	42	-2.0	-103.34	347.93	9.63	-93.71
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CC(NC(=O)CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851833	0	52	-2.0	-105.77	402.12	7.80	-97.97
CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)NC(=O)C1CCCC1	REAL300005851834	0	49	-2.0	-109.18	390.28	7.67	-101.51
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CC(C)(C)CC(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851837	0	52	-2.0	-121.00	390.20	9.31	-111.69
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CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005851839	0	48	-2.0	-124.92	359.27	8.15	-116.77
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COCCSCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851955	0	37	-2.0	-103.69	323.57	5.91	-97.78
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CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300005851968	0	35	-2.0	-116.49	300.90	3.15	-113.34
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CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851971	0	45	-2.0	-121.73	371.01	8.16	-113.57
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851972	0	45	-2.0	-113.15	359.68	7.56	-105.59
CCCC(=O)N1CSCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851973	0	44	-2.0	-115.04	363.10	8.29	-106.75
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851974	0	50	-2.0	-114.27	394.79	9.27	-105.00
CCCCC(=O)N1CSCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851975	0	47	-2.0	-115.23	384.60	9.07	-106.16
CC(C)OC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851976	0	46	-2.0	-109.45	372.79	9.33	-100.12
NC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851977	0	37	-2.0	-127.83	309.24	4.24	-123.59
C=CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851978	0	41	-2.0	-106.10	344.15	8.23	-97.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)C1	REAL300005851979	0	45	-2.0	-105.39	397.71	6.15	-99.24
CC(C)CCC(=O)NCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851980	0	45	-2.0	-104.64	364.90	5.98	-98.66
CC1CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)C1	REAL300005851981	0	51	-2.0	-105.14	378.00	10.16	-94.98
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851982	0	43	-2.0	-108.40	366.64	9.80	-98.60
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005851983	0	40	-2.0	-101.76	360.75	9.70	-92.06
COC1=CC=C(CCCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851984	0	52	-2.0	-107.02	421.46	10.94	-96.08
CCSC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005851985	0	42	-2.0	-105.26	333.47	8.38	-96.88
CC1=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C(C2=CSC=C2)O1	REAL300005851986	0	42	-2.0	-109.99	372.72	6.47	-103.52
CCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005851987	0	42	-2.0	-115.16	345.44	7.40	-107.76
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CC(C)CC(=O)NC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005851989	0	52	-2.0	-108.72	418.75	9.03	-99.69
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005851990	0	45	-2.0	-112.37	353.81	9.99	-102.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC3CCCC3)=C2)C1	REAL300005851991	0	53	-2.0	-105.66	420.87	11.46	-94.20
CC(C)OC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005851992	0	47	-2.0	-107.09	384.20	9.85	-97.24
CC(C)(C)C1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851993	0	54	-2.0	-105.30	424.48	12.37	-92.93
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C32)C1	REAL300005851994	0	40	-2.0	-108.83	327.43	9.42	-99.41
NS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005851995	0	41	-2.0	-111.32	359.62	3.41	-107.91
CN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)F	REAL300005851996	0	36	-2.0	-119.10	305.06	5.85	-113.25
NC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300005851997	0	37	-2.0	-102.44	317.05	6.26	-96.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C3=CC=CC=C3Cl)=N2)C1	REAL300005851998	0	39	-2.0	-123.00	346.96	9.54	-113.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)C1	REAL300005851999	0	43	-2.0	-110.56	368.48	10.32	-100.24
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300005852000	0	46	-2.0	-111.81	392.64	8.37	-103.44
CC1=CC=CC=C1C1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005852001	0	42	-2.0	-128.17	354.13	9.36	-118.81
CC(C)C(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005852002	0	48	-2.0	-105.39	378.33	10.79	-94.60
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300005852003	0	45	-2.0	-120.85	356.23	7.95	-112.90
CCC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005852004	0	45	-2.0	-105.05	361.16	10.37	-94.68
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(CC(C)C)=N1	REAL300005852005	0	44	-2.0	-103.60	366.87	7.90	-95.70
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1CC1CC1	REAL300005852006	0	47	-2.0	-125.06	373.87	10.56	-114.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3=CC=CC=C3)=N2)C1	REAL300005852007	0	39	-2.0	-114.32	337.97	7.13	-107.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(=O)NCCCC2=CC=CC=C2)C1	REAL300005852008	0	46	-2.0	-116.79	379.90	7.56	-109.23
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005852009	0	44	-2.0	-115.60	355.81	7.62	-107.98
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005852010	0	43	-2.0	-116.97	354.99	8.73	-108.24
CC1=CC=C(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852011	0	47	-2.0	-113.34	404.55	8.81	-104.53
CC(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852012	0	46	-2.0	-107.49	375.04	10.89	-96.60
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005852013	0	43	-2.0	-105.88	355.78	9.75	-96.13
CCCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852014	0	42	-2.0	-116.27	346.22	9.29	-106.98
CCCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005852015	0	47	-2.0	-111.89	397.25	9.10	-102.79
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852016	0	43	-2.0	-110.96	362.60	8.00	-102.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Br)S2)C1	REAL300005852017	0	34	-2.0	-106.35	326.72	8.81	-97.54
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3N2)C1	REAL300005852018	0	37	-2.0	-115.82	305.52	7.93	-107.89
CC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852019	0	36	-2.0	-116.47	304.15	7.79	-108.68
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852020	0	39	-2.0	-109.14	356.07	5.41	-103.73
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005852021	0	51	-2.0	-107.99	412.70	9.71	-98.28
CC1=CC(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005852022	0	43	-2.0	-112.72	380.16	7.35	-105.37
CCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852023	0	39	-2.0	-116.51	325.74	8.56	-107.95
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852024	0	42	-2.0	-112.90	364.70	1.96	-110.94
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(COC3=CC=CC=C3)O2)C1	REAL300005852025	0	44	-2.0	-123.27	369.35	9.19	-114.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852026	0	40	-3.0	-202.71	345.88	4.42	-198.29
CS(=O)(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852027	0	41	-2.0	-110.99	331.31	4.08	-106.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC(Cl)=C2)C1	REAL300005852028	0	37	-2.0	-104.03	331.03	8.89	-95.14
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300005852029	0	47	-2.0	-118.88	370.78	9.70	-109.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300005852030	0	40	-2.0	-106.61	350.82	8.10	-98.51
CCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852031	0	43	-2.0	-118.48	347.56	8.48	-110.00
CC(SCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852032	0	43	-2.0	-106.25	366.71	10.35	-95.90
CC(C)C1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852033	0	46	-2.0	-104.94	384.78	10.93	-94.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(SCC3=CC=CC=C3)C=C2)C1	REAL300005852034	0	47	-2.0	-105.89	401.43	12.27	-93.62
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=CC=C2C(F)(F)F)C1	REAL300005852035	0	40	-2.0	-109.66	352.45	9.44	-100.22
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(F)C=C2F)C1	REAL300005852036	0	37	-2.0	-111.81	321.01	8.54	-103.27
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300005852037	0	53	-2.0	-113.77	410.11	11.92	-101.85
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCN2C=CC=CC2=O)C1	REAL300005852038	0	39	-2.0	-114.86	330.57	7.53	-107.33
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852039	0	52	-2.0	-106.87	406.08	11.11	-95.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC(Br)=C2)C1	REAL300005852040	0	30	-2.0	-101.06	282.34	6.20	-94.86
CC(C)CC1=NNC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852041	0	42	-2.0	-101.86	342.79	6.88	-94.98
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300005852041	1	42	-2.0	-120.24	339.74	7.17	-113.07
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300005852042	0	41	-2.0	-110.12	342.93	8.63	-101.49
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CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005852044	0	46	-2.0	-117.91	376.25	9.56	-108.35
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CCOC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C(C)C2=C1	REAL300005852091	0	46	-2.0	-118.95	372.31	9.12	-109.83
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CC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852094	0	46	-2.0	-106.75	372.91	10.34	-96.41
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CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300005852096	0	50	-2.0	-116.59	398.59	9.31	-107.28
CC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005852097	0	43	-2.0	-104.81	363.81	10.21	-94.60
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CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005852099	0	39	-2.0	-117.04	338.33	8.99	-108.05
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CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852105	0	53	-2.0	-125.37	397.54	9.73	-115.64
CC(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852106	0	46	-2.0	-104.04	367.68	5.20	-98.84
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852107	0	52	-2.0	-105.09	397.46	6.81	-98.28
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852108	0	55	-2.0	-103.80	411.36	7.56	-96.24
CC(C)(C)OC(=O)NCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852109	0	43	-2.0	-104.40	350.44	4.58	-99.82
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CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852114	0	49	-2.0	-111.09	370.68	6.58	-104.51
CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005852115	0	46	-2.0	-111.79	370.50	7.44	-104.35
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CC1=CC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852121	0	39	-2.0	-108.10	323.96	8.69	-99.41
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CC(C)(C)OC(=O)NC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005852124	0	53	-2.0	-111.71	402.54	7.78	-103.93
CC(C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005852125	0	45	-2.0	-104.15	358.55	9.97	-94.18
COC1=CC=CC(F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852126	0	37	-2.0	-128.18	314.53	7.04	-121.14
CC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852127	0	40	-2.0	-108.40	335.39	8.82	-99.58
CCCCS(=O)(=O)N1CCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852128	0	50	-2.0	-111.04	395.74	6.54	-104.50
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CC(C)SC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852130	0	43	-2.0	-103.47	361.44	9.89	-93.58
CCC(OC1CCCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852131	0	49	-2.0	-105.33	371.90	9.46	-95.87
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CC1=CC=C(F)C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852135	0	40	-2.0	-109.12	342.62	9.13	-99.99
CC1=CC=C(SC2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCCC2)C=C1	REAL300005852136	0	50	-2.0	-108.41	390.85	11.20	-97.21
CC1=NN(C)C(C)=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852137	0	43	-2.0	-107.76	363.13	7.34	-100.42
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CSC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300005852139	0	37	-2.0	-101.22	350.20	9.36	-91.86
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005852140	0	44	-2.0	-105.48	363.86	8.40	-97.08
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CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852196	0	52	-2.0	-105.34	403.15	8.08	-97.26
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CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852201	0	45	-2.0	-105.13	364.89	10.04	-95.09
CCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300005852202	0	45	-2.0	-105.04	380.31	10.52	-94.52
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CC(C)(C)OC(=O)NCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852210	0	49	-2.0	-106.97	393.38	6.01	-100.96
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CCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852213	0	45	-2.0	-116.54	362.06	10.51	-106.03
CC(C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005852214	0	45	-2.0	-103.96	376.39	10.49	-93.47
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CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005852217	0	53	-2.0	-118.56	403.70	8.62	-109.94
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CC(C)C1CCC(C)CC1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852229	0	55	-2.0	-105.34	413.76	10.76	-94.58
CCC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852230	0	49	-2.0	-107.09	391.36	10.99	-96.10
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CCC(OC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852234	0	46	-2.0	-105.30	361.53	9.94	-95.36
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CC(SC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852272	0	40	-2.0	-105.35	339.94	9.29	-96.06
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CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852279	0	56	-2.0	-105.62	427.95	9.43	-96.19
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CC(C)C1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852290	0	42	-2.0	-118.63	339.85	7.13	-111.50
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)NC(=O)OC(C)(C)C	REAL300005852292	0	49	-2.0	-108.68	391.23	6.53	-102.15
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005852293	0	50	-2.0	-109.43	392.42	7.64	-101.79
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CC(C)C1=NC=NC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852296	0	40	-2.0	-113.25	324.95	7.42	-105.83
CC(C)(C)OC(=O)N(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)CC1CC1	REAL300005852297	0	53	-2.0	-108.45	424.26	10.02	-98.43
CC(C)N(CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300005852298	0	55	-2.0	-109.96	425.30	9.21	-100.75
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CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852300	0	45	-2.0	-115.84	376.75	8.41	-107.43
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852301	0	47	-2.0	-114.38	394.49	6.07	-108.31
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CC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852303	0	40	-2.0	-107.76	332.44	9.51	-98.25
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852304	0	49	-2.0	-111.87	400.47	7.53	-104.34
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852305	0	42	-2.0	-111.14	354.16	8.18	-102.96
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CC(C)OCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852307	0	46	-2.0	-107.99	377.14	8.84	-99.15
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CSCC2=CC=CS2)C1	REAL300005852309	0	37	-2.0	-105.10	340.03	8.96	-96.14
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300005852310	0	43	-2.0	-107.46	355.65	8.94	-98.52
CCOC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852311	0	44	-2.0	-104.63	375.91	9.22	-95.41
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC	REAL300005852312	0	47	-2.0	-108.14	385.83	8.52	-99.62
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005852313	0	47	-2.0	-116.77	361.74	9.79	-106.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300005852314	0	42	-2.0	-115.95	337.54	7.41	-108.54
CCSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852315	0	40	-2.0	-124.42	335.86	9.34	-115.08
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COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005852317	0	37	-2.0	-115.05	309.55	6.82	-108.23
COC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852318	0	41	-2.0	-104.77	354.05	8.29	-96.48
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3SCCCS3)C=C2)C1	REAL300005852319	0	45	-2.0	-109.25	385.15	10.97	-98.28
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852320	0	43	-2.0	-106.69	357.07	10.39	-96.30
CCOC1=CC=C(OC(C)(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852321	0	50	-2.0	-116.70	378.94	8.87	-107.83
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852322	0	53	-2.0	-105.83	408.85	8.55	-97.28
CCN1C(C)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005852323	0	43	-2.0	-112.33	347.48	8.95	-103.38
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852324	0	50	-2.0	-130.33	395.86	7.69	-122.64
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)C1	REAL300005852325	0	43	-2.0	-105.23	373.69	11.08	-94.15
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852326	0	50	-2.0	-121.92	396.09	7.67	-114.25
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005852327	0	42	-2.0	-110.02	361.60	9.23	-100.79
CCCCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852328	0	44	-2.0	-116.44	373.54	5.81	-110.63
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852329	0	56	-2.0	-113.71	404.35	8.46	-105.25
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCOC3)S2)C1	REAL300005852330	0	38	-2.0	-116.70	318.70	6.67	-110.03
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300005852331	0	42	-2.0	-111.56	318.04	9.16	-102.40
COC1=CC=CC=C1CC(C)=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852332	0	47	-2.0	-108.73	382.45	9.98	-98.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC2C2=CC=CC3=CC=CC=C32)C1	REAL300005852333	0	46	-2.0	-108.49	367.24	11.81	-96.68
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COC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852394	0	39	-2.0	-122.88	324.46	5.16	-117.72
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852395	0	52	-2.0	-106.03	420.87	8.44	-97.59
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852396	0	52	-2.0	-109.40	414.18	9.70	-99.70
CC(C)CC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005852397	0	49	-2.0	-115.53	393.88	8.63	-106.90
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1N1CCNC1=O	REAL300005852398	0	47	-2.0	-132.78	383.76	5.87	-126.91
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COCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005852401	0	39	-2.0	-103.56	340.84	4.93	-98.63
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005852402	0	45	-2.0	-118.77	351.09	7.67	-111.10
CS(=O)(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005852403	0	41	-2.0	-136.80	356.64	2.82	-133.98
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300005852404	0	41	-2.0	-117.83	342.63	7.26	-110.57
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=C(Cl)C=C1	REAL300005852406	0	45	-2.0	-105.28	378.36	11.01	-94.27
CC(C)NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852407	0	46	-2.0	-116.91	374.74	7.45	-109.46
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)C=C1Br	REAL300005852408	0	39	-2.0	-103.00	337.63	9.22	-93.78
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COC1=CC2=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300005852411	0	46	-2.0	-123.63	369.61	9.84	-113.79
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CC(C)CN1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CN=C21	REAL300005852414	0	47	-2.0	-115.16	378.73	8.54	-106.62
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CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852416	0	42	-2.0	-117.64	356.29	8.91	-108.73
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CN(C)C(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852420	0	43	-2.0	-104.51	350.21	7.20	-97.31
CN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852421	0	43	-2.0	-130.45	342.32	6.99	-123.46
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CN1C=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300005852423	0	36	-2.0	-144.64	303.76	6.45	-138.19
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C(C3CC3)N=C2C(C)=C1	REAL300005852424	0	51	-2.0	-124.32	405.83	11.38	-112.94
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CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852426	0	45	-2.0	-111.20	384.89	10.45	-100.75
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CC(C)OC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852508	0	42	-2.0	-102.08	344.55	6.51	-95.57
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005852509	0	40	-2.0	-105.32	331.86	8.25	-97.07
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC(C2CC2)=N1	REAL300005852510	0	39	-2.0	-115.73	323.77	5.56	-110.17
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCC1	REAL300005852511	0	45	-2.0	-118.98	323.29	8.37	-110.61
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCCC1	REAL300005852512	0	45	-2.0	-106.35	313.21	8.48	-97.87
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CNC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852516	0	40	-2.0	-128.37	331.16	5.74	-122.63
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC(C2=CC=CC=C2)=N1	REAL300005852517	0	42	-2.0	-108.28	356.25	6.99	-101.29
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852518	0	49	-2.0	-107.95	397.03	8.32	-99.63
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005852519	0	39	-2.0	-102.49	342.71	9.45	-93.04
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CC(C)(C)C1CCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852524	0	54	-2.0	-104.00	394.01	10.73	-93.27
CC(CCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852525	0	48	-2.0	-105.01	384.75	11.13	-93.88
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CN1C(=O)NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300005852529	0	40	-2.0	-114.67	332.73	6.34	-108.33
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CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852534	0	46	-2.0	-116.31	366.84	3.24	-113.07
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CCOC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852542	0	43	-2.0	-110.48	360.72	8.71	-101.77
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CCN1N=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852545	0	40	-2.0	-105.69	339.26	7.48	-98.21
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852546	0	50	-2.0	-122.21	404.76	11.45	-110.76
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CC1=CC=C(SC2CCCC2)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852550	0	50	-2.0	-113.14	402.26	11.73	-101.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=S=NC3=C2)C1	REAL300005852551	0	34	-2.0	-114.94	299.63	5.81	-109.13
CCC1=NN(C)C(Cl)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852552	0	39	-2.0	-113.70	341.30	7.14	-106.56
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C1	REAL300005852553	0	47	-2.0	-115.78	385.00	9.46	-106.32
COC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C(C3CC3)N=C2C=C1	REAL300005852554	0	49	-2.0	-128.88	393.82	9.20	-119.68
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OC3CCCCC3)=C2)C1	REAL300005852556	0	49	-2.0	-113.80	386.00	8.00	-105.80
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852557	0	44	-2.0	-107.90	371.80	10.19	-97.71
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CC(C)COC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005852559	0	45	-2.0	-101.21	387.10	7.13	-94.08
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=CN=C2C2=CC=CC=C2)C1	REAL300005852560	0	41	-2.0	-106.42	346.45	8.75	-97.67
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CCNS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852562	0	47	-2.0	-110.41	403.03	5.48	-104.93
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1=CC=CC(Cl)=C1	REAL300005852563	0	43	-2.0	-127.83	371.74	10.19	-117.64
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CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=CS2)=N1	REAL300005852565	0	40	-2.0	-108.73	354.92	7.89	-100.84
CN1C(=O)CCC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300005852566	0	44	-2.0	-106.53	355.69	8.27	-98.26
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CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852568	0	48	-2.0	-118.62	378.23	7.54	-111.08
CCS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852569	0	42	-2.0	-133.34	357.68	5.89	-127.45
COC1=C2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005852570	0	44	-2.0	-121.46	357.63	7.82	-113.64
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1=CC=CC=C1Cl	REAL300005852571	0	43	-2.0	-128.39	369.71	10.37	-118.02
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC=C(Br)C=C32)C1	REAL300005852572	0	38	-2.0	-118.35	329.87	7.90	-110.45
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CCS(=O)(=O)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852575	0	48	-2.0	-112.90	409.62	7.71	-105.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NC3=CC(Cl)=CC=C3C=C2)C1	REAL300005852576	0	38	-2.0	-125.92	332.11	9.20	-116.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)N=CS2)C1	REAL300005852577	0	29	-2.0	-113.30	279.67	5.16	-108.14
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852578	0	46	-2.0	-104.24	377.49	10.30	-93.94
COCCOC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300005852579	0	43	-2.0	-114.48	357.87	4.42	-110.06
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852580	0	42	-2.0	-111.29	369.30	9.92	-101.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(OCC3CC3)C(Cl)=C2)C1	REAL300005852581	0	43	-2.0	-101.19	377.10	7.12	-94.07
CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(=O)(=O)C1=CC=CN=C1	REAL300005852582	0	43	-2.0	-105.74	373.97	4.34	-101.40
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300005852583	0	41	-2.0	-128.24	333.77	9.62	-118.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852584	0	40	-3.0	-172.39	357.56	4.41	-167.98
CCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CC1=CC=CC=C1	REAL300005852585	0	49	-2.0	-119.02	394.48	10.13	-108.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300005852586	0	41	-2.0	-120.71	342.24	6.79	-113.92
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300005852587	0	38	-2.0	-128.62	333.78	8.57	-120.05
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852588	0	46	-3.0	-206.72	388.84	6.11	-200.61
C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852589	0	49	-2.0	-112.06	378.09	7.14	-104.92
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC3=CC=CC=C32)C1	REAL300005852590	0	38	-2.0	-112.56	320.85	7.85	-104.71
CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005852591	0	42	-2.0	-104.60	351.66	9.79	-94.81
CC(C)CN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1CC1	REAL300005852592	0	49	-2.0	-110.33	380.01	8.86	-101.47
CCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CC(C)C	REAL300005852593	0	48	-2.0	-120.17	371.14	8.30	-111.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC(Cl)=C3F)N=N2)C1	REAL300005852594	0	39	-2.0	-112.81	353.96	8.16	-104.65
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852595	0	43	-2.0	-121.69	357.32	10.28	-111.41
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)O2)=C1	REAL300005852596	0	49	-2.0	-116.03	401.79	11.45	-104.58
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1S(C)(=O)=O	REAL300005852597	0	45	-2.0	-124.09	361.91	6.14	-117.95
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(Cl)C=N2)C1	REAL300005852598	0	32	-2.0	-107.24	291.56	6.93	-100.31
CC1=CC(F)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852599	0	36	-2.0	-112.01	299.34	8.18	-103.83
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCC(=O)N3)C1	REAL300005852600	0	39	-2.0	-109.92	331.94	4.89	-105.03
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852601	0	48	-2.0	-113.49	405.60	7.51	-105.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Br)C=CO2)C1	REAL300005852602	0	30	-2.0	-115.63	274.56	6.33	-109.30
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=N1	REAL300005852603	0	37	-2.0	-111.95	305.70	6.04	-105.91
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300005852604	0	36	-2.0	-107.64	314.12	8.46	-99.18
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852605	0	40	-2.0	-107.13	346.52	6.73	-100.40
CC(C)[C@H]1CC[C@H](C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852606	0	48	-2.0	-115.51	354.70	9.57	-105.94
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852607	0	36	-2.0	-110.11	301.26	5.29	-104.82
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300005852608	0	35	-2.0	-111.82	308.53	7.16	-104.66
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300005852609	0	45	-2.0	-105.38	370.28	10.61	-94.77
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCN3N=C2)C1	REAL300005852610	0	40	-2.0	-109.43	326.43	6.86	-102.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCSCC2)C1	REAL300005852611	0	37	-2.0	-101.83	306.71	7.59	-94.24
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300005852612	0	38	-2.0	-102.85	346.83	9.52	-93.33
CCOC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005852613	0	39	-2.0	-101.50	344.83	5.63	-95.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC3=CN=CC=N3)=C2)C1	REAL300005852614	0	42	-2.0	-109.07	360.65	5.81	-103.26
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300005852615	0	39	-2.0	-112.70	324.24	5.15	-107.55
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C(C2=CC=CC=C2F)O1	REAL300005852616	0	42	-2.0	-127.98	354.55	8.35	-119.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C(=O)N3CCCC3)=N2)C1	REAL300005852617	0	46	-2.0	-117.96	361.20	7.82	-110.14
CN1C(=O)C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852618	0	36	-2.0	-102.43	306.95	6.01	-96.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(N3C=CC=N3)=CC=N2)C1	REAL300005852619	0	39	-2.0	-126.97	328.46	7.74	-119.23
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=CC=N3)=N2)C1	REAL300005852620	0	39	-2.0	-120.65	319.30	8.76	-111.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=CS2)C1	REAL300005852621	0	38	-2.0	-108.02	338.57	8.20	-99.82
CC1=CC=C(C)C(C(=O)CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852622	0	47	-2.0	-107.18	384.32	10.44	-96.74
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CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005852651	0	39	-2.0	-105.62	333.01	8.56	-97.06
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COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300005852660	0	48	-2.0	-126.61	388.24	8.92	-117.69
CCC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300005852661	0	49	-2.0	-105.71	390.08	9.68	-96.03
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CC1=NN(C)C(=O)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005852669	0	41	-2.0	-117.18	341.52	5.91	-111.27
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)NC(C(C)(C)C)=N1	REAL300005852670	0	47	-2.0	-136.89	374.07	7.22	-129.67
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CCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852673	0	39	-2.0	-118.18	313.26	8.80	-109.38
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CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005852678	0	45	-2.0	-118.24	352.58	10.10	-108.14
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300005852679	0	37	-2.0	-110.85	311.01	6.86	-103.99
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CN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005852681	0	43	-2.0	-124.04	354.69	8.50	-115.54
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CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Br	REAL300005852686	0	36	-2.0	-107.36	317.60	8.55	-98.81
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CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(Br)=C1	REAL300005852688	0	36	-2.0	-116.91	312.70	8.70	-108.21
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005852690	0	37	-2.0	-113.08	320.70	7.26	-105.82
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852691	0	37	-2.0	-107.72	317.14	6.99	-100.73
CC(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852692	0	36	-2.0	-109.14	309.32	6.28	-102.86
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852693	0	42	-2.0	-116.55	358.24	9.03	-107.52
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852694	0	45	-2.0	-118.32	365.56	9.98	-108.34
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C2C=NN(C(C)C)C2=N1	REAL300005852695	0	47	-2.0	-115.94	380.82	8.84	-107.10
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300005852696	0	43	-2.0	-127.84	343.37	10.86	-116.98
COC1=CC2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300005852697	0	45	-2.0	-106.67	369.86	7.69	-98.98
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005852698	0	46	-2.0	-107.12	370.04	6.24	-100.88
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=NN(C(C)C)C2=N1	REAL300005852699	0	47	-2.0	-118.95	385.31	8.85	-110.10
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005852700	0	44	-2.0	-113.44	372.02	6.19	-107.25
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C=C1	REAL300005852701	0	42	-2.0	-123.07	344.76	8.00	-115.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300005852702	0	39	-2.0	-116.94	347.30	9.63	-107.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300005852703	0	41	-2.0	-114.41	344.71	8.94	-105.47
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)N2)C1	REAL300005852704	0	43	-2.0	-119.08	352.07	10.21	-108.87
COC1=CC=C(SC)C(OC)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852705	0	45	-2.0	-124.33	374.89	7.33	-117.00
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852706	0	45	-2.0	-114.90	387.55	6.87	-108.03
CC1=CC(C)=C(Br)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852707	0	39	-2.0	-119.09	334.73	9.32	-109.77
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(NC(=O)C3=CC=CN=C3)=CC=C2)C1	REAL300005852708	0	46	-2.0	-135.23	381.16	7.72	-127.51
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005852709	0	45	-2.0	-116.47	369.96	9.44	-107.03
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CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005852716	0	47	-2.0	-118.23	382.62	9.88	-108.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CNC(=O)COC2=CC=CC=C2)C1	REAL300005852717	0	44	-2.0	-108.52	373.27	6.79	-101.73
CC(NC(=O)C1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852718	0	40	-2.0	-107.49	342.02	4.84	-102.65
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CC1=NOC(C)=C1C(C)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852732	0	44	-2.0	-103.93	352.20	8.32	-95.61
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CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852736	0	43	-2.0	-117.49	376.59	10.15	-107.34
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CCC(CC)N1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005852738	0	48	-2.0	-117.63	384.05	9.33	-108.30
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CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852740	0	43	-2.0	-124.78	357.75	9.94	-114.84
CCOC1=C(Cl)C=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852741	0	43	-2.0	-113.50	363.25	9.31	-104.19
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3CCOC3)=C2)C1	REAL300005852744	0	44	-2.0	-116.88	349.46	8.06	-108.82
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005852745	0	45	-2.0	-128.74	371.49	6.20	-122.54
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CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300005852747	0	39	-2.0	-115.33	334.62	9.62	-105.71
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852748	0	47	-2.0	-119.78	389.57	5.05	-114.73
COC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300005852749	0	43	-2.0	-115.37	308.38	6.76	-108.61
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CC(CC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852767	0	42	-2.0	-108.22	355.14	9.96	-98.26
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COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1F	REAL300005852771	0	43	-2.0	-108.70	361.55	8.60	-100.10
CCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300005852772	0	45	-2.0	-118.65	311.91	8.18	-110.47
CC1(C)CCCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005852773	0	45	-2.0	-114.29	334.72	8.81	-105.48
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300005852774	0	43	-2.0	-107.64	357.70	10.30	-97.34
CCOC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005852775	0	43	-2.0	-106.68	331.34	7.49	-99.19
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CO1	REAL300005852776	0	39	-2.0	-117.12	317.12	7.75	-109.37
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005852777	0	42	-2.0	-113.74	349.11	9.83	-103.91
CC1(C)CCCCC1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852778	0	48	-2.0	-113.26	346.03	9.40	-103.86
COCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852779	0	43	-2.0	-106.55	360.45	8.18	-98.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C=CCCC3=C2)C1	REAL300005852780	0	41	-2.0	-107.37	335.70	9.78	-97.59
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300005852781	0	37	-2.0	-110.17	321.25	8.55	-101.62
CC(C)(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(F)(F)F	REAL300005852782	0	38	-2.0	-99.87	313.50	7.61	-92.26
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852783	0	46	-2.0	-108.84	373.79	11.05	-97.79
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=C1	REAL300005852784	0	50	-2.0	-108.96	406.76	8.73	-100.23
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005852785	0	41	-2.0	-119.16	341.51	7.29	-111.87
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)O2)C=C1	REAL300005852786	0	52	-2.0	-121.19	413.42	11.96	-109.23
CS(=O)(=O)C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300005852787	0	39	-2.0	-114.48	298.54	4.08	-110.40
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CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C(F)(F)F)=N1	REAL300005852789	0	37	-2.0	-116.80	327.04	7.65	-109.15
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300005852790	0	39	-2.0	-104.65	344.88	9.64	-95.01
COC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC	REAL300005852791	0	41	-2.0	-124.60	341.84	6.87	-117.73
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)C1	REAL300005852792	0	45	-2.0	-106.02	387.01	11.04	-94.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC(F)=CC=C2F)C1	REAL300005852793	0	42	-2.0	-106.03	360.14	10.14	-95.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2COC2CCOCC2)C1	REAL300005852794	0	51	-2.0	-118.28	402.08	8.64	-109.64
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300005852795	0	43	-2.0	-110.06	363.27	10.40	-99.66
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OCCC(C)C)=C1	REAL300005852796	0	53	-2.0	-125.12	417.15	9.44	-115.68
CCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852797	0	46	-2.0	-109.03	378.92	9.51	-99.52
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300005852798	0	43	-2.0	-110.42	377.00	9.17	-101.25
CC(C)CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852799	0	51	-2.0	-104.83	408.61	11.97	-92.86
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OCC(C)C)=C1	REAL300005852800	0	50	-2.0	-128.58	397.13	8.76	-119.82
CCCN1C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300005852801	0	46	-2.0	-121.65	367.30	10.67	-110.98
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852802	0	45	-2.0	-110.40	382.04	4.77	-105.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2OC(F)F)C1	REAL300005852803	0	43	-2.0	-110.40	365.31	9.55	-100.85
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300005852804	0	42	-2.0	-112.20	345.78	8.02	-104.18
CCCOC1=CC(OC)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852805	0	47	-2.0	-124.59	378.09	8.14	-116.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(COC3=CC=CC=C3F)=C2)C1	REAL300005852806	0	43	-2.0	-127.70	368.67	8.87	-118.83
COC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005852807	0	50	-2.0	-107.10	401.13	8.80	-98.30
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852808	0	48	-2.0	-107.63	405.06	7.40	-100.23
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1F	REAL300005852809	0	42	-2.0	-105.06	348.86	9.25	-95.81
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852810	0	37	-2.0	-105.57	341.39	7.93	-97.64
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852811	0	47	-2.0	-119.86	382.31	11.18	-108.68
CCC(C)(C)C1CCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852812	0	57	-2.0	-104.94	408.92	11.26	-93.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CC=C3Cl)CC2)C1	REAL300005852813	0	43	-2.0	-107.78	361.60	10.40	-97.38
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852814	0	42	-2.0	-117.66	352.51	6.44	-111.22
COC1=CC=C(OC)C(C2CC2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852815	0	48	-2.0	-111.20	382.63	8.33	-102.87
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CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300005852820	0	44	-2.0	-113.89	357.23	9.82	-104.07
CC(C)(COCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852821	0	49	-2.0	-113.71	384.40	9.38	-104.33
CC1=C(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300005852822	0	46	-2.0	-113.05	383.71	10.78	-102.27
CC1=CC2=C(C=C1C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)CO2	REAL300005852823	0	44	-2.0	-108.96	352.37	8.44	-100.52
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC=C1	REAL300005852824	0	39	-2.0	-119.69	314.71	7.73	-111.96
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CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852826	0	38	-2.0	-120.68	322.19	9.10	-111.58
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005852827	0	38	-2.0	-119.01	314.86	7.60	-111.41
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COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300005852829	0	39	-2.0	-117.21	339.29	7.58	-109.63
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300005852830	0	36	-2.0	-112.59	314.16	8.64	-103.95
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300005852831	0	36	-2.0	-103.14	325.01	8.92	-94.22
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300005852832	0	40	-2.0	-103.93	351.39	8.25	-95.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC=C2Br)C1	REAL300005852833	0	36	-2.0	-114.66	322.26	8.99	-105.67
CC1=C(Cl)C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852834	0	36	-2.0	-103.86	313.18	8.51	-95.35
COC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CC2=C1	REAL300005852835	0	45	-2.0	-117.00	359.35	7.48	-109.52
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1F	REAL300005852836	0	39	-2.0	-112.31	321.36	8.79	-103.52
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005852837	0	40	-2.0	-110.37	340.90	8.77	-101.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300005852838	0	36	-2.0	-109.67	330.49	8.98	-100.69
CCC(CC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852839	0	48	-2.0	-106.95	369.32	10.62	-96.33
CC(=O)NC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852840	0	43	-2.0	-120.54	362.44	7.36	-113.18
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C(Br)O1	REAL300005852841	0	33	-2.0	-101.88	305.53	7.05	-94.83
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCC(F)C2)C1	REAL300005852842	0	39	-2.0	-103.77	313.31	8.00	-95.77
C=CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005852843	0	39	-2.0	-113.70	334.75	6.51	-107.19
C=CCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005852844	0	44	-2.0	-114.03	326.91	6.65	-107.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	REAL300005852845	0	46	-2.0	-116.45	348.32	9.36	-107.09
CC1=C(Cl)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C	REAL300005852846	0	36	-2.0	-122.52	311.35	6.82	-115.70
CC1=C(F)C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852847	0	36	-2.0	-103.71	303.36	8.08	-95.63
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005852848	0	36	-2.0	-113.65	332.78	3.99	-109.66
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005852849	0	44	-2.0	-111.15	351.29	8.72	-102.43
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852850	0	41	-2.0	-110.08	345.12	9.36	-100.72
CN1N=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005852851	0	42	-2.0	-123.51	350.29	8.37	-115.14
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1N1C=CC=N1	REAL300005852852	0	43	-2.0	-114.20	353.27	9.62	-104.58
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CC1=C(Br)C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005852854	0	33	-2.0	-112.28	305.20	7.80	-104.48
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CC1=C2OC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=CC=C1	REAL300005852858	0	39	-2.0	-108.64	330.11	8.58	-100.06
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(N3C=NN=C3)C=C2)C1	REAL300005852859	0	42	-2.0	-109.85	356.99	11.45	-98.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC(OC(F)F)=C2)C1	REAL300005852860	0	43	-2.0	-106.46	366.04	8.84	-97.62
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CC1=CSC(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852863	0	41	-2.0	-107.87	355.55	7.79	-100.08
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC3=CC=C(F)C=C23)C1	REAL300005852864	0	36	-2.0	-107.52	315.13	7.98	-99.54
CC1CCN2N=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C1	REAL300005852865	0	43	-2.0	-120.14	340.92	7.66	-112.48
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(Cl)=C3S2)C1	REAL300005852866	0	36	-2.0	-118.52	327.78	9.35	-109.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2N=NN=C2C2=CSC=C2)C1	REAL300005852867	0	38	-2.0	-121.06	331.67	6.29	-114.77
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300005852868	0	42	-2.0	-114.66	362.04	8.24	-106.42
CN1N=C(C2CC2)N=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852869	0	42	-2.0	-112.21	349.79	7.96	-104.25
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300005852870	0	38	-2.0	-126.49	315.40	7.95	-118.54
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1	REAL300005852871	0	44	-2.0	-120.40	353.15	8.56	-111.84
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC2=CC=CC=C21	REAL300005852872	0	43	-2.0	-107.22	338.18	9.42	-97.80
CC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCC2)C=C1	REAL300005852873	0	46	-2.0	-106.33	362.17	10.31	-96.02
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3F)CCC2)C1	REAL300005852874	0	43	-2.0	-107.37	345.63	9.61	-97.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2C=CC3=CC=C(F)C=C32)C1	REAL300005852875	0	40	-2.0	-122.27	339.92	9.99	-112.28
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C(Cl)C=C2C=C1	REAL300005852876	0	41	-2.0	-130.93	355.37	9.18	-121.75
CSC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852877	0	46	-2.0	-106.15	388.49	11.07	-95.08
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCCC2C2CC2)C1	REAL300005852878	0	46	-2.0	-116.77	348.06	9.90	-106.87
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005852879	0	36	-2.0	-122.78	307.29	5.79	-116.99
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC(Br)=CC=C32)C1	REAL300005852880	0	40	-2.0	-104.44	349.96	10.08	-94.36
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C3OCCCC3=C2)C1	REAL300005852881	0	44	-2.0	-107.47	359.09	9.08	-98.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COCCN2CC(F)(F)F)C1	REAL300005852882	0	42	-2.0	-102.32	345.12	4.22	-98.10
CC(C)(C)N1C=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852883	0	41	-2.0	-115.44	338.18	8.56	-106.88
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=C3C=CC=CN3N=C2)C1	REAL300005852884	0	39	-2.0	-118.89	327.20	8.30	-110.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCOCC3=C2)C1	REAL300005852885	0	38	-2.0	-112.87	316.22	5.05	-107.82
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NC=NC=C3C2)C1	REAL300005852886	0	41	-2.0	-111.23	329.60	8.03	-103.20
CCCC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852887	0	51	-2.0	-105.13	412.66	12.27	-92.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)N=C2)C1	REAL300005852888	0	42	-2.0	-118.07	345.67	9.23	-108.84
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(CC(F)(F)F)=C2)C1	REAL300005852889	0	42	-2.0	-105.88	366.35	10.23	-95.65
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1N1CCOCC1	REAL300005852890	0	49	-2.0	-115.76	382.28	7.67	-108.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCC3)N=N2)C1	REAL300005852891	0	39	-2.0	-114.35	321.53	6.17	-108.18
CC1(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1(F)Cl	REAL300005852892	0	36	-2.0	-107.78	315.22	7.97	-99.81
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852893	0	45	-2.0	-103.83	354.04	9.33	-94.50
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852894	0	38	-2.0	-107.02	334.08	2.34	-104.68
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005852895	0	35	-2.0	-122.31	312.46	0.72	-121.59
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C	REAL300005852896	0	37	-2.0	-111.02	307.13	4.13	-106.89
CC1(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300005852897	0	45	-2.0	-103.55	333.17	8.97	-94.58
CC1=CC=CC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N2C)=C1	REAL300005852898	0	47	-2.0	-108.27	376.72	10.72	-97.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C3C2)C1	REAL300005852899	0	43	-2.0	-118.19	339.10	10.06	-108.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COCCC2=CC=CC(F)=C2)C1	REAL300005852900	0	43	-2.0	-106.93	368.45	9.74	-97.19
CC(COCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005852901	0	46	-2.0	-105.51	378.17	10.17	-95.34
COCCN1C=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852902	0	40	-2.0	-115.11	337.60	5.66	-109.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C(O)C=CC=C32)C1	REAL300005852903	0	44	-2.0	-108.06	351.61	7.15	-100.91
CCC1CCCCC1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852904	0	49	-2.0	-105.75	377.31	9.84	-95.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(CC3=CC=CC=C3F)S2)C1	REAL300005852905	0	42	-2.0	-106.15	373.84	9.10	-97.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2CCCCCC2)C1	REAL300005852906	0	46	-2.0	-104.51	353.27	9.75	-94.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)N2)C1	REAL300005852907	0	35	-2.0	-106.71	301.85	0.93	-105.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	REAL300005852908	0	41	-2.0	-104.94	315.43	8.54	-96.40
CC1=CC=CC=C1N1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(C)C	REAL300005852909	0	52	-2.0	-119.17	406.83	11.13	-108.04
CCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=CC=C1C	REAL300005852910	0	49	-2.0	-120.87	391.50	10.72	-110.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300005852911	0	40	-2.0	-116.10	355.28	9.68	-106.42
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CC1=NN(C(C)(C)C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852913	0	45	-2.0	-117.50	357.28	7.83	-109.67
COCCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852914	0	47	-2.0	-108.58	391.05	7.99	-100.59
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CC1(C)COC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C21	REAL300005852917	0	44	-2.0	-127.64	353.57	8.53	-119.11
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005852918	0	41	-2.0	-113.54	336.01	7.02	-106.52
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1C=CN=C1	REAL300005852920	0	39	-2.0	-103.36	322.94	8.40	-94.96
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CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005852923	0	41	-2.0	-111.51	335.20	8.32	-103.19
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CCN1C=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852926	0	39	-2.0	-119.43	323.91	7.11	-112.32
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CC(=CC1=CC=CC=N1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852948	0	39	-2.0	-109.90	326.64	8.54	-101.36
CC(=CC1=CC=CN=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852949	0	39	-2.0	-105.50	319.95	7.42	-98.08
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CC(C)(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852951	0	45	-2.0	-118.96	350.87	9.78	-109.18
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COC1=CC=C2CCCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300005852957	0	47	-2.0	-112.30	371.39	9.21	-103.09
COC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C=C1	REAL300005852958	0	40	-2.0	-120.38	332.68	6.49	-113.89
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CC1(C)CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2O1	REAL300005852960	0	44	-2.0	-129.69	354.27	8.80	-120.89
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CN(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005852962	0	40	-2.0	-101.42	346.44	6.56	-94.86
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852963	0	46	-2.0	-110.93	380.04	9.39	-101.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)NC(=O)C2=CC=CC=C12	REAL300005852964	0	42	-2.0	-123.71	347.60	7.12	-116.59
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005852965	0	39	-2.0	-102.44	338.15	9.34	-93.10
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COC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(F)(F)F	REAL300005852967	0	36	-2.0	-101.74	313.36	6.34	-95.40
CSCC1(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005852968	0	40	-2.0	-103.86	338.67	8.61	-95.25
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CC(C)CN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852973	0	42	-2.0	-113.08	330.42	7.31	-105.77
COC1=CC=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852974	0	36	-2.0	-122.79	299.28	5.85	-116.94
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CC(C)(C)N1N=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005852977	0	40	-2.0	-110.13	335.03	5.74	-104.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC23CCCCC2C3(F)F)C1	REAL300005852978	0	43	-2.0	-109.12	341.85	9.22	-99.90
CC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005852979	0	39	-2.0	-115.30	331.77	9.23	-106.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1	REAL300005852980	0	49	-2.0	-103.58	373.59	10.45	-93.13
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005852981	0	47	-2.0	-106.51	383.21	9.89	-96.62
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CC(C)(CC(F)(F)F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852984	0	38	-2.0	-108.89	299.13	7.01	-101.88
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CN1N=CC(C2CC2)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852986	0	40	-2.0	-117.56	332.65	7.49	-110.07
CC1(C)OCC2CC21C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852987	0	41	-2.0	-109.60	314.76	6.39	-103.21
CN1C=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005852988	0	36	-2.0	-117.86	315.62	5.52	-112.34
COC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005852989	0	43	-2.0	-107.52	326.73	6.84	-100.68
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)C1	REAL300005852990	0	51	-2.0	-117.34	370.02	9.77	-107.57
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CN1N=CC(C2CCC2)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005852995	0	43	-2.0	-119.56	348.68	7.97	-111.59
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CCCCCC1=NNC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005852998	0	45	-2.0	-101.55	366.61	7.91	-93.64
CCCCCC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300005852998	1	45	-2.0	-120.06	364.07	8.18	-111.88
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1CCOCC1	REAL300005852999	0	51	-2.0	-111.40	391.85	8.69	-102.71
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CC(C)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853002	0	42	-2.0	-120.47	332.31	9.35	-111.12
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853003	0	41	-2.0	-106.23	352.81	7.44	-98.79
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CC(=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CO1	REAL300005853005	0	37	-2.0	-107.18	313.75	7.80	-99.38
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COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853007	0	44	-2.0	-107.22	362.70	9.10	-98.12
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300005853009	0	52	-2.0	-105.46	407.23	12.26	-93.20
COCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853010	0	39	-2.0	-103.76	330.51	5.36	-98.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCCCC2)C1	REAL300005853011	0	42	-2.0	-105.82	322.51	8.22	-97.60
CCCCC(C)(F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853012	0	41	-2.0	-104.32	326.02	8.01	-96.31
COC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853013	0	40	-2.0	-109.86	338.88	7.78	-102.08
CC1=NNC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C12	REAL300005853014	0	39	-2.0	-115.09	322.40	6.73	-108.36
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC(C3=CC=CN=C3)=N2)C1	REAL300005853015	0	38	-2.0	-126.00	326.69	5.37	-120.63
COCCCN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CC1=O	REAL300005853016	0	45	-2.0	-111.82	371.84	6.17	-105.65
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300005853017	0	47	-2.0	-114.01	378.45	8.96	-105.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CF)C=C2)C1	REAL300005853018	0	36	-2.0	-107.22	307.93	8.20	-99.02
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005853019	0	40	-2.0	-110.80	340.55	7.81	-102.99
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOC1	REAL300005853020	0	41	-2.0	-104.20	321.04	5.01	-99.19
CC(C)(C)N1N=NC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853021	0	43	-2.0	-118.04	353.70	6.08	-111.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3COCCC3=C2)C1	REAL300005853022	0	41	-2.0	-106.27	333.60	7.47	-98.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2CC2(F)F)C1	REAL300005853023	0	36	-2.0	-104.35	311.48	7.98	-96.37
COCCCOCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853024	0	43	-2.0	-104.18	356.06	5.38	-98.80
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1C=CC=N1	REAL300005853025	0	39	-2.0	-115.82	309.24	7.12	-108.70
COC1=CC=C(OC(C)(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853026	0	47	-2.0	-116.10	357.09	7.95	-108.15
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005853027	0	48	-2.0	-103.28	395.34	11.31	-91.97
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300005853028	0	40	-2.0	-122.25	342.50	8.27	-113.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(N3C=NN=N3)CCOCC2)C1	REAL300005853029	0	42	-2.0	-102.97	324.01	4.17	-98.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC=NC3=N2)C1	REAL300005853030	0	34	-2.0	-136.09	293.27	8.83	-127.26
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CSC3=NC=N2)C1	REAL300005853031	0	34	-2.0	-106.47	305.96	7.38	-99.09
CC(C)(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853032	0	43	-2.0	-116.19	327.41	8.65	-107.54
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300005853033	0	46	-2.0	-107.28	352.93	9.99	-97.29
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)O2)C1	REAL300005853034	0	42	-2.0	-122.89	349.95	10.82	-112.07
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005853035	0	39	-2.0	-128.02	337.50	4.46	-123.56
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CSC=C3S2)C1	REAL300005853036	0	33	-2.0	-119.89	301.85	7.81	-112.08
CC1=CC=CC=C1CC(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853037	0	45	-2.0	-104.94	357.21	10.04	-94.90
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC(C(F)F)=C1	REAL300005853038	0	36	-2.0	-111.74	310.72	7.54	-104.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=C(Cl)C=CC=C4C32)C1	REAL300005853039	0	41	-2.0	-113.96	341.57	10.72	-103.24
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300005853040	0	40	-2.0	-116.03	325.38	9.61	-106.42
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCC1	REAL300005853041	0	43	-2.0	-104.25	333.79	7.96	-96.29
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853042	0	43	-2.0	-119.11	343.72	10.31	-108.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3=CC=CC=C3CO2)C1	REAL300005853043	0	41	-2.0	-120.26	326.42	8.76	-111.50
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCC1	REAL300005853044	0	46	-2.0	-104.57	351.70	8.47	-96.10
CC(CC1=CC=CO1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853045	0	39	-2.0	-105.65	323.47	7.74	-97.91
CC1CC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300005853046	0	41	-2.0	-116.24	331.59	8.05	-108.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CCCCC3)C1	REAL300005853047	0	46	-2.0	-115.67	345.00	9.64	-106.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC3=CC=CC=C32)C1	REAL300005853048	0	39	-2.0	-121.47	337.00	10.25	-111.22
COCC1=CSC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853049	0	37	-2.0	-105.10	325.47	6.14	-98.96
CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCO1	REAL300005853050	0	43	-2.0	-120.09	329.59	7.09	-113.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)C1	REAL300005853051	0	40	-2.0	-112.38	356.24	10.69	-101.69
CC1=CC=C2OC=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300005853052	0	42	-2.0	-117.99	346.91	9.44	-108.55
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005853053	0	40	-2.0	-102.88	338.95	8.35	-94.53
CCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300005853054	0	45	-2.0	-103.91	378.22	10.77	-93.14
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3=C(Cl)C=CC=C32)C1	REAL300005853055	0	37	-2.0	-104.82	326.59	9.47	-95.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CSN=N3)C=C2)C1	REAL300005853056	0	38	-2.0	-119.33	331.69	7.51	-111.82
CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CO1	REAL300005853057	0	39	-2.0	-104.25	324.21	7.95	-96.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CC=C3CC2)C1	REAL300005853058	0	46	-2.0	-117.92	351.73	10.42	-107.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC(C2CCC2)C2CCC2)C1	REAL300005853059	0	49	-2.0	-118.37	362.16	10.63	-107.74
CC1=CC=C(COC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853060	0	46	-2.0	-107.16	377.37	10.00	-97.16
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3CC3(F)F)C=C2)C1	REAL300005853061	0	41	-2.0	-117.66	347.09	8.61	-109.05
CCCC(OCC)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853062	0	42	-2.0	-105.84	335.54	7.75	-98.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300005853063	0	37	-2.0	-108.85	336.66	7.81	-101.04
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300005853064	0	37	-2.0	-111.09	325.19	7.46	-103.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=CC=CC=C4C32)C1	REAL300005853065	0	41	-2.0	-116.19	325.48	10.21	-105.98
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300005853066	0	40	-2.0	-111.38	340.69	8.00	-103.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC(F)=CC=C3C2)C1	REAL300005853067	0	41	-2.0	-113.08	336.25	8.32	-104.76
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C(S(C)(=O)=O)O1	REAL300005853068	0	39	-2.0	-107.71	347.11	3.92	-103.79
CC1=CC=CC=C1COC(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853069	0	46	-2.0	-107.69	371.95	10.04	-97.65
CCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005853070	0	45	-2.0	-114.73	323.02	8.29	-106.44
CN1N=CC(C(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853071	0	36	-2.0	-104.07	310.60	6.07	-98.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)C1	REAL300005853072	0	45	-2.0	-105.23	346.97	7.86	-97.37
CC1=CCC(C)(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853073	0	43	-2.0	-113.72	319.33	8.41	-105.31
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853074	0	43	-2.0	-118.26	340.14	7.29	-110.97
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300005853075	0	33	-2.0	-103.93	309.98	7.51	-96.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)C1	REAL300005853076	0	46	-2.0	-118.39	358.53	10.76	-107.63
COCCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853077	0	43	-2.0	-115.63	353.69	5.90	-109.73
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CC3)N=C2)C1	REAL300005853078	0	37	-2.0	-117.05	307.09	6.73	-110.32
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1CCOCC1	REAL300005853079	0	47	-2.0	-121.42	377.43	7.34	-114.08
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005853080	0	43	-2.0	-114.06	369.18	7.78	-106.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCCCC2)C1	REAL300005853081	0	52	-2.0	-111.76	346.20	10.42	-101.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300005853082	0	33	-2.0	-113.55	302.95	7.54	-106.01
CC1=NN(C2CCOCC2)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853083	0	47	-2.0	-103.08	373.10	6.79	-96.29
CCOC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853084	0	44	-2.0	-107.08	366.20	9.21	-97.87
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853085	0	41	-2.0	-107.55	344.28	8.28	-99.27
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCN3C=C2)C1	REAL300005853086	0	41	-2.0	-112.59	330.35	8.77	-103.82
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853087	0	42	-2.0	-115.92	370.83	8.86	-107.06
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3C(C2)C3(F)F)C1	REAL300005853088	0	40	-2.0	-118.63	318.42	8.62	-110.01
CC(F)(F)C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853089	0	36	-2.0	-110.22	295.62	7.31	-102.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CCOCC2)C1	REAL300005853090	0	40	-2.0	-105.04	304.54	5.61	-99.43
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CC3)N=N2)C1	REAL300005853091	0	36	-2.0	-114.74	307.81	5.80	-108.94
CS(=O)(=O)N1CCC[C@H](C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853092	0	44	-2.0	-122.01	355.60	4.35	-117.66
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC(F)F	REAL300005853093	0	44	-2.0	-111.31	374.57	7.97	-103.34
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Br	REAL300005853094	0	39	-2.0	-117.61	335.86	9.59	-108.02
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC3=C2COCC3)C1	REAL300005853095	0	37	-2.0	-121.26	303.91	5.70	-115.56
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)C1	REAL300005853096	0	46	-2.0	-107.02	362.33	10.50	-96.52
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005853097	0	40	-2.0	-117.93	360.78	4.77	-113.16
CCCC1CCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853098	0	45	-2.0	-117.45	333.88	9.08	-108.37
CC1=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300005853099	0	50	-2.0	-124.80	403.53	12.39	-112.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)SC=C2)C1	REAL300005853100	0	30	-2.0	-120.67	281.68	7.03	-113.64
CSC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005853101	0	37	-2.0	-116.09	321.00	7.73	-108.36
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CSC3=CN=C2)C1	REAL300005853102	0	35	-2.0	-118.62	307.27	6.99	-111.63
CCOC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005853103	0	44	-2.0	-112.87	333.41	5.54	-107.33
CC1=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300005853104	0	42	-2.0	-107.13	348.88	9.80	-97.33
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2C3CCCCCCC32)C1	REAL300005853105	0	46	-2.0	-105.55	350.14	9.86	-95.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NN=NN3C=C2)C1	REAL300005853106	0	34	-2.0	-105.41	295.86	5.78	-99.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC(C3CC3)CC2)C1	REAL300005853107	0	46	-2.0	-113.68	351.42	9.99	-103.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3SC=CC3=NC=N2)C1	REAL300005853108	0	34	-2.0	-118.68	299.22	7.99	-110.69
CCCCCCCCC(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853109	0	53	-2.0	-103.74	410.84	11.23	-92.51
CN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853110	0	33	-2.0	-114.25	297.84	5.85	-108.40
CC1=CC(F)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(F)=C1	REAL300005853111	0	36	-2.0	-111.65	319.58	8.40	-103.25
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC(C)C	REAL300005853112	0	47	-2.0	-111.42	377.90	8.81	-102.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C=CC=C(Br)N3N=C2)C1	REAL300005853113	0	36	-2.0	-120.65	324.47	7.75	-112.90
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COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853118	0	40	-2.0	-107.32	327.23	7.44	-99.88
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)N=C2)C1	REAL300005853119	0	43	-2.0	-111.37	367.70	7.84	-103.53
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3F)N=C2)C1	REAL300005853120	0	43	-2.0	-118.54	367.80	7.81	-110.73
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005853121	0	38	-2.0	-112.97	323.57	5.74	-107.23
CCOCCOCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853122	0	46	-2.0	-108.33	378.55	6.53	-101.80
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CCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005853124	0	45	-2.0	-103.21	378.09	10.83	-92.38
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853125	0	50	-2.0	-122.15	397.80	7.54	-114.61
COC1=CC=CC(C(OC)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853126	0	44	-2.0	-108.63	361.44	7.57	-101.06
COCCOCCOCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853127	0	50	-2.0	-110.01	412.18	5.89	-104.12
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1OC	REAL300005853128	0	47	-2.0	-119.74	379.35	8.96	-110.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2(N3C=NN=N3)CCOCC2)C1	REAL300005853129	0	45	-2.0	-117.26	348.40	6.54	-110.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=CN=N2)C1	REAL300005853130	0	42	-2.0	-134.73	345.21	7.97	-126.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2CN2C=CN=N2)C1	REAL300005853131	0	42	-2.0	-134.73	345.21	7.97	-126.76
CCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853132	0	39	-2.0	-112.53	315.44	6.83	-105.70
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=CN=C3)C=C2)C1	REAL300005853133	0	44	-2.0	-108.48	364.65	7.85	-100.63
CC(C)(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853134	0	49	-2.0	-107.48	390.99	11.30	-96.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3(CC3)CC2)C1	REAL300005853135	0	43	-2.0	-117.01	331.29	9.17	-107.84
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC(F)=CC=C32)C1	REAL300005853136	0	40	-2.0	-104.45	335.07	9.52	-94.93
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005853137	0	46	-2.0	-105.18	370.47	10.94	-94.24
CC1=CC=CC=C1COCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853138	0	43	-2.0	-107.51	356.04	9.55	-97.96
CC1=CC=CC(COCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853139	0	43	-2.0	-107.94	361.94	9.56	-98.38
CC1=CC=C(COCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853140	0	43	-2.0	-107.88	361.94	9.57	-98.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1	REAL300005853141	0	42	-2.0	-105.20	337.95	8.62	-96.58
CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853142	0	42	-2.0	-118.21	334.90	9.37	-108.84
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853143	0	40	-2.0	-110.89	355.04	9.80	-101.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(CN3C=CN=N3)=C2)C1	REAL300005853144	0	42	-2.0	-119.26	352.34	7.87	-111.39
CCN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853145	0	36	-2.0	-112.62	305.96	6.26	-106.36
CCCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005853146	0	47	-2.0	-105.48	350.15	9.17	-96.31
CCOCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853147	0	43	-2.0	-114.06	354.04	6.08	-107.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300005853148	0	46	-2.0	-116.01	376.36	9.86	-106.15
CC(=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CS1	REAL300005853149	0	37	-2.0	-106.34	323.41	8.85	-97.49
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CSC=C2C(F)(F)F)C1	REAL300005853150	0	33	-2.0	-120.81	303.27	7.57	-113.24
COCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300005853151	0	46	-2.0	-116.85	328.86	7.49	-109.36
CC1(C)CC1(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005853152	0	46	-2.0	-115.99	354.36	10.30	-105.69
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853153	0	41	-2.0	-122.63	355.16	6.88	-115.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)C1	REAL300005853154	0	43	-2.0	-116.00	355.03	9.16	-106.84
CC1CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)(C2=CC=CC(Cl)=C2)C1	REAL300005853155	0	46	-2.0	-105.94	375.87	10.71	-95.23
COC1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCC2)C=C1OC	REAL300005853156	0	51	-2.0	-118.55	382.85	9.02	-109.53
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(O)=C1	REAL300005853157	0	38	-2.0	-116.00	316.26	4.28	-111.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CC=C(Cl)C=C2)C1	REAL300005853158	0	45	-2.0	-104.74	387.19	11.37	-93.37
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300005853159	0	52	-2.0	-115.66	395.16	12.46	-103.20
COC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300005853160	0	43	-2.0	-122.36	326.20	7.67	-114.69
COC1CCCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853161	0	46	-2.0	-103.90	357.68	7.74	-96.16
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CC(F)(F)C2)C1	REAL300005853162	0	36	-2.0	-103.53	306.41	7.71	-95.82
CC1=C2SC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=CC=C1	REAL300005853163	0	39	-2.0	-119.58	331.71	9.47	-110.11
CCC(C)C(OC)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853164	0	42	-2.0	-104.56	326.38	7.17	-97.39
COCCOC1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853165	0	50	-2.0	-123.44	377.79	6.85	-116.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C3CC3)=C2)C1	REAL300005853166	0	43	-2.0	-107.20	355.28	10.58	-96.62
CC1=C(C)C=C2C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=COC2=C1	REAL300005853167	0	42	-2.0	-109.03	347.02	9.11	-99.92
CC(C)(C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005853168	0	45	-2.0	-115.35	365.01	10.01	-105.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(C2CCC2)C2CCC2)C1	REAL300005853169	0	46	-2.0	-117.34	344.95	9.66	-107.68
CC1CCN2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C1	REAL300005853170	0	43	-2.0	-129.37	341.33	9.11	-120.26
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	REAL300005853171	0	44	-2.0	-106.42	349.73	7.70	-98.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)C1	REAL300005853172	0	47	-2.0	-116.95	373.63	10.47	-106.48
CCC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)(C)C	REAL300005853173	0	47	-2.0	-104.91	347.42	8.85	-96.06
CCC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853174	0	39	-2.0	-107.04	325.71	8.84	-98.20
COCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CS1	REAL300005853175	0	37	-2.0	-118.76	319.09	6.28	-112.48
CN1C=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300005853176	0	40	-2.0	-121.98	327.63	9.19	-112.79
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CCC2)C1	REAL300005853177	0	47	-2.0	-115.68	348.91	8.03	-107.65
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)C1	REAL300005853178	0	45	-2.0	-105.42	368.99	10.30	-95.12
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=N1	REAL300005853179	0	44	-2.0	-122.83	358.00	8.71	-114.12
COC1=CC=C(F)C(OC)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853180	0	41	-2.0	-120.19	347.09	6.52	-113.67
CNC1=NC(C)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853181	0	39	-2.0	-118.09	323.38	7.79	-110.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3=CC=CC=N3)N=N2)C1	REAL300005853182	0	41	-2.0	-129.75	349.06	6.42	-123.33
COC1=CC2=C(C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)OCO2	REAL300005853183	0	40	-2.0	-118.74	331.17	5.72	-113.02
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853184	0	49	-2.0	-107.60	397.18	9.09	-98.51
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)S2)C1	REAL300005853185	0	34	-2.0	-107.00	322.13	8.70	-98.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2OC(F)(F)F)C1	REAL300005853186	0	41	-2.0	-107.31	359.72	8.84	-98.47
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3CCOCC3)C=C2)C1	REAL300005853187	0	44	-2.0	-113.38	355.00	6.60	-106.78
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C(C2=CC=CC=C2)O1	REAL300005853188	0	43	-2.0	-107.68	362.94	10.04	-97.64
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC(F)(F)CC2)C1	REAL300005853189	0	42	-2.0	-104.97	337.01	8.90	-96.07
CC1=CN(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C(F)(F)F	REAL300005853190	0	39	-2.0	-108.40	346.53	7.41	-100.99
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853191	0	43	-2.0	-119.84	348.68	10.50	-109.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)N=CO2)C1	REAL300005853192	0	32	-2.0	-105.91	285.55	3.24	-102.67
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)F)O2)C1	REAL300005853193	0	33	-2.0	-114.29	290.81	6.91	-107.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300005853194	0	47	-2.0	-108.33	388.39	12.36	-95.97
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=C(F)C=C1	REAL300005853195	0	40	-2.0	-117.48	332.72	8.62	-108.86
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1CCCOC1	REAL300005853196	0	51	-2.0	-111.27	391.58	8.71	-102.56
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1CC1CCCOC1	REAL300005853197	0	54	-2.0	-117.41	410.84	9.51	-107.90
CC1=NOC(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCOCC2)=C1	REAL300005853198	0	46	-2.0	-106.83	347.45	6.49	-100.34
CCOC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005853199	0	42	-2.0	-104.45	331.49	7.51	-96.94
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1Br	REAL300005853200	0	42	-2.0	-119.20	355.46	9.85	-109.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2COCC2=CC=CC=C2)C1	REAL300005853201	0	50	-2.0	-121.50	408.30	11.41	-110.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300005853202	0	37	-2.0	-106.95	330.51	7.55	-99.40
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C2CCOC2)=N1	REAL300005853203	0	43	-2.0	-112.88	357.57	6.08	-106.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)C1	REAL300005853204	0	48	-2.0	-112.18	387.58	9.17	-103.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300005853205	0	36	-2.0	-103.71	339.53	9.49	-94.22
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C=C1	REAL300005853206	0	39	-2.0	-128.82	323.52	9.48	-119.34
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2CC2CCC2)C1	REAL300005853207	0	43	-2.0	-115.69	340.03	8.19	-107.50
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COC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=COC2=C1C	REAL300005853210	0	46	-2.0	-118.16	376.77	8.91	-109.25
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CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853212	0	47	-2.0	-116.35	382.23	11.01	-105.34
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853213	0	36	-2.0	-116.44	305.09	8.01	-108.43
CC1CN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300005853214	0	52	-2.0	-116.21	402.39	7.81	-108.40
CC1(C)CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300005853215	0	55	-2.0	-111.84	394.99	11.97	-99.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)C1	REAL300005853216	0	50	-2.0	-119.48	372.57	11.49	-107.99
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CC1=CN(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C(F)(F)F	REAL300005853218	0	45	-2.0	-109.25	370.58	8.07	-101.18
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCO1	REAL300005853219	0	46	-2.0	-107.78	340.41	6.98	-100.80
CC(=CC1CCC(C)CC1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853220	0	49	-2.0	-106.83	372.21	10.17	-96.66
CN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300005853221	0	39	-2.0	-129.36	325.13	8.10	-121.26
CC1OC(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1C	REAL300005853222	0	43	-2.0	-102.93	334.28	6.66	-96.27
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@]23CCC[C@H]2OCC3)C1	REAL300005853224	0	41	-2.0	-102.95	311.85	6.04	-96.91
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853225	0	51	-2.0	-106.27	371.00	10.45	-95.82
CC1=CC=CC=C1C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005853226	0	49	-2.0	-110.53	355.50	10.42	-100.11
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC2C2=CC=C(F)C=C2)C1	REAL300005853227	0	43	-2.0	-117.10	349.71	10.30	-106.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC(C(F)F)=C2)C1	REAL300005853228	0	33	-2.0	-107.73	295.40	6.53	-101.20
CSCCCCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853229	0	45	-2.0	-104.44	376.09	9.82	-94.62
CCC1=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005853230	0	45	-2.0	-109.36	372.12	10.32	-99.04
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=CN=CC=N1	REAL300005853231	0	45	-2.0	-113.80	369.91	8.41	-105.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CSC=C2)C1	REAL300005853232	0	37	-2.0	-111.39	317.53	8.76	-102.63
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300005853233	0	39	-2.0	-114.52	328.33	8.97	-105.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(OCC3=CC=CC=C3)=CS2)C1	REAL300005853234	0	44	-2.0	-104.97	382.44	9.70	-95.27
CCOC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853235	0	46	-2.0	-105.67	378.14	9.49	-96.18
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)COC2=CC=CC=C2O1	REAL300005853236	0	42	-2.0	-114.51	327.50	7.86	-106.65
CC1=CN2C=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2S1	REAL300005853237	0	39	-2.0	-121.51	338.80	9.13	-112.38
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CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC2CCC1C2	REAL300005853239	0	43	-2.0	-107.27	317.04	8.25	-99.02
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300005853240	0	42	-2.0	-110.69	313.12	7.91	-102.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC(C(F)(F)F)=C2)C1	REAL300005853241	0	37	-2.0	-104.73	345.50	9.12	-95.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	REAL300005853242	0	42	-2.0	-106.79	329.80	8.56	-98.23
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(CCC(F)(F)F)=N2)C1	REAL300005853243	0	41	-2.0	-107.74	371.27	8.22	-99.52
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CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1C=CC(C(F)(F)F)=N1	REAL300005853245	0	39	-2.0	-123.50	335.35	7.04	-116.46
CC1=CC(C)=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005853246	0	46	-2.0	-107.91	370.11	10.67	-97.24
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2C(F)(F)F)C1	REAL300005853247	0	40	-2.0	-108.41	348.43	9.80	-98.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3NC=CC3=C2)C1	REAL300005853248	0	41	-2.0	-110.98	346.19	9.02	-101.96
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COCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853250	0	40	-2.0	-115.11	332.13	5.12	-109.99
CC1=CC=CC(COC(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853251	0	46	-2.0	-107.10	376.61	9.97	-97.13
CC1(C)[C@H](C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)[C@H]1C1=CC=CC=C1	REAL300005853252	0	46	-2.0	-106.31	366.49	10.66	-95.65
COC1=CC(C)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853253	0	43	-2.0	-120.66	343.21	8.12	-112.54
COCCN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853254	0	43	-2.0	-115.23	350.58	5.64	-109.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2(C3=CC=CC=C3)CC2)C1	REAL300005853255	0	43	-2.0	-116.43	345.50	10.52	-105.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=COC3=CC(Cl)=CC=C23)C1	REAL300005853256	0	39	-2.0	-105.67	349.25	9.30	-96.37
CCC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=CC=C1	REAL300005853257	0	43	-2.0	-116.88	347.96	9.33	-107.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C3=C2CCCC3)C1	REAL300005853258	0	49	-2.0	-104.18	389.01	11.57	-92.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	REAL300005853259	0	38	-2.0	-106.94	309.45	5.73	-101.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(F)C3=CC=CC=C23)C1	REAL300005853260	0	45	-2.0	-104.37	374.81	11.41	-92.96
CCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300005853261	0	42	-2.0	-102.73	362.09	10.15	-92.58
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2C3CC4=CC(Cl)=CC=C4C32)C1	REAL300005853262	0	41	-2.0	-112.14	349.79	10.86	-101.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C3OCCCOC3=C2)C1	REAL300005853263	0	51	-2.0	-108.47	411.80	10.02	-98.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3CC2C2CC23)C1	REAL300005853264	0	41	-2.0	-105.43	312.21	8.69	-96.74
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CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=N1	REAL300005853266	0	39	-2.0	-116.03	318.44	6.67	-109.36
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=C(C(F)(F)F)SC=C2)C1	REAL300005853267	0	37	-2.0	-106.32	339.88	8.90	-97.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCOCC3)C=C2)C1	REAL300005853268	0	47	-2.0	-107.20	372.46	8.77	-98.43
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=C(C(F)F)C=C2)C1	REAL300005853269	0	42	-2.0	-105.94	359.64	10.16	-95.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300005853270	0	35	-2.0	-105.12	307.73	6.49	-98.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2C2=CC=CC=C2)C1	REAL300005853271	0	49	-2.0	-115.23	362.64	11.10	-104.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2C=CC=CC2=O)C1	REAL300005853272	0	36	-2.0	-116.04	308.87	6.99	-109.05
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C=NNC3=CC=C2)C1	REAL300005853273	0	36	-2.0	-119.46	301.56	6.10	-113.36
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NNC=C32)C1	REAL300005853273	1	36	-2.0	-115.52	303.72	6.24	-109.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2CCCCC2=O)C1	REAL300005853274	0	40	-2.0	-113.53	325.86	6.73	-106.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCN2C=C(Cl)C=N2)C1	REAL300005853275	0	36	-2.0	-104.26	324.84	6.95	-97.31
CN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1CC1	REAL300005853276	0	40	-2.0	-123.76	327.53	7.83	-115.93
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CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300005853280	0	40	-2.0	-115.94	323.83	7.29	-108.65
CN1C=NC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300005853281	0	39	-2.0	-125.96	322.24	8.76	-117.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=NC=N2)C1	REAL300005853282	0	37	-2.0	-106.60	315.96	7.28	-99.32
CN1N=CC=C1COCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853283	0	40	-2.0	-108.53	340.70	6.55	-101.98
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CC1=CC(=O)N(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853285	0	39	-2.0	-117.32	323.72	7.67	-109.65
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=NNC=C3C=C2)C1	REAL300005853286	0	39	-2.0	-116.32	332.32	7.19	-109.13
CC(C)CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853287	0	42	-2.0	-114.63	339.81	7.59	-107.04
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005853289	0	41	-2.0	-113.95	316.48	7.29	-106.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC=NC=C32)C1	REAL300005853290	0	37	-2.0	-119.52	309.94	6.06	-113.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)N=CO2)C1	REAL300005853291	0	36	-2.0	-115.86	300.71	4.82	-111.04
COC1=NSC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853292	0	33	-2.0	-109.58	291.94	3.30	-106.28
CC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853293	0	39	-2.0	-105.87	354.19	9.67	-96.20
CCOC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOC1	REAL300005853294	0	44	-2.0	-104.32	342.86	5.98	-98.34
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C(C)(C)C	REAL300005853295	0	47	-2.0	-105.97	343.75	8.56	-97.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC(Cl)=C2)C1	REAL300005853296	0	49	-2.0	-106.60	398.20	11.70	-94.90
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC(F)=CC=C2F)=N1	REAL300005853297	0	43	-2.0	-127.54	370.60	8.91	-118.63
COC1=CC=CC(C(C)(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853298	0	46	-2.0	-118.17	344.26	8.29	-109.88
COC1=CC=CC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853299	0	44	-2.0	-110.55	380.15	9.65	-100.90
CC(C)(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853300	0	48	-2.0	-117.99	372.65	10.52	-107.47
CCOC1COCCC1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853301	0	47	-2.0	-110.56	362.65	6.77	-103.79
CCC1CCCCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853302	0	45	-2.0	-119.77	336.72	9.12	-110.65
CCOC1CC2(CC2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853303	0	44	-2.0	-119.68	351.99	8.12	-111.56
CCC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853304	0	42	-2.0	-105.81	375.68	10.44	-95.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C(F)F)N=C2)C1	REAL300005853305	0	33	-2.0	-113.18	289.50	5.33	-107.85
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=NC=N2)C1	REAL300005853306	0	34	-2.0	-101.98	310.06	7.36	-94.62
CCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853307	0	39	-2.0	-104.92	334.99	8.77	-96.15
CCOCCCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853308	0	45	-2.0	-104.84	365.38	7.84	-97.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCOC2CCOCC2)C1	REAL300005853309	0	47	-2.0	-106.62	376.17	6.59	-100.03
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005853310	0	43	-2.0	-122.73	351.85	8.44	-114.29
CSC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300005853311	0	34	-2.0	-104.03	305.97	6.74	-97.29
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3C=CC=CN23)C1	REAL300005853312	0	36	-2.0	-112.60	304.21	7.69	-104.91
CCN1CCOCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853313	0	42	-2.0	-105.52	328.22	3.76	-101.76
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005853314	0	42	-2.0	-106.34	346.67	8.59	-97.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COCCN2C2CCCC2)C1	REAL300005853315	0	49	-2.0	-107.52	366.44	5.51	-102.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCCN23)C1	REAL300005853316	0	40	-2.0	-109.49	321.87	7.42	-102.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCN2C2CC2)C1	REAL300005853317	1	42	-2.0	-106.94	330.46	5.91	-101.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCN(CC(F)(F)F)C2)C1	REAL300005853318	0	41	-2.0	-102.78	340.68	5.67	-97.11
CCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=N1	REAL300005853319	0	44	-2.0	-116.53	346.35	8.54	-107.99
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CN=C21	REAL300005853320	0	37	-2.0	-129.83	315.08	5.33	-124.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CN=C3)CCCC2)C1	REAL300005853321	0	45	-2.0	-117.13	340.24	8.83	-108.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CC=CN=C32)C1	REAL300005853322	0	39	-2.0	-121.69	315.55	7.94	-113.75
CC1=NC=C2CCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CN12	REAL300005853323	0	43	-2.0	-110.38	340.35	8.33	-102.05
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853325	0	47	-2.0	-107.16	379.65	9.87	-97.29
CC(CC1=CNC=N1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853326	0	39	-2.0	-112.29	323.77	7.18	-105.11
CC(CC1=CN=CN1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853326	1	39	-2.0	-108.29	322.55	7.18	-101.11
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C3CCCN23)C1	REAL300005853327	0	37	-2.0	-125.04	300.53	7.36	-117.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CC=CC3=CC=CC=C32)C1	REAL300005853328	0	45	-2.0	-120.96	362.21	11.39	-109.57
CC(CCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853329	0	45	-2.0	-105.54	370.86	10.50	-95.04
CC(C)(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300005853330	0	45	-2.0	-102.98	357.17	10.10	-92.88
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005853331	0	40	-2.0	-113.07	334.05	7.45	-105.62
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853332	0	46	-2.0	-113.69	392.69	5.44	-108.25
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC23CCOCC3)C1	REAL300005853333	0	44	-2.0	-116.89	317.99	6.93	-109.96
CCOC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOCC1	REAL300005853334	0	47	-2.0	-104.06	365.23	7.07	-96.99
CCOC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCC1	REAL300005853335	0	46	-2.0	-105.78	347.56	8.18	-97.60
CC1(C)CC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2O1	REAL300005853336	0	44	-2.0	-118.99	352.70	8.74	-110.25
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853337	0	39	-2.0	-118.05	318.89	6.61	-111.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C4CC4)C=CC=C3N2)C1	REAL300005853338	0	44	-2.0	-117.08	354.37	9.99	-107.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CC3)N=C2)C1	REAL300005853339	0	40	-2.0	-115.97	330.82	7.67	-108.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	REAL300005853340	0	41	-2.0	-115.26	311.41	7.46	-107.80
CC1=CC2=C(S1)C(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)=CS2	REAL300005853341	0	39	-2.0	-116.72	346.36	9.66	-107.06
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(Cl)C3=C(F)C=CC=C3S2)C1	REAL300005853342	0	36	-2.0	-121.95	330.64	9.40	-112.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C1	REAL300005853343	0	44	-2.0	-113.70	367.69	8.87	-104.83
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(=O)C2=CC=C(F)C=C2)C1	REAL300005853344	0	35	-2.0	-101.40	313.80	7.51	-93.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)O2)C1	REAL300005853345	0	36	-2.0	-117.23	305.40	4.72	-112.51
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C3=CC=CC=C3O)=NN2)C1	REAL300005853346	0	41	-2.0	-105.83	347.18	5.25	-100.58
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC(C3=CC=CC=C3O)=C2)C1	REAL300005853346	1	41	-2.0	-113.05	350.69	5.44	-107.61
CCC1CCCC1(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853347	0	45	-2.0	-115.20	326.12	8.54	-106.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)C1	REAL300005853348	0	43	-2.0	-111.54	340.34	9.71	-101.83
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853349	0	39	-2.0	-118.87	328.87	8.91	-109.96
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1CC1	REAL300005853350	0	43	-2.0	-109.71	354.37	7.89	-101.82
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853351	0	48	-2.0	-105.46	389.51	10.77	-94.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC=C2F)C1	REAL300005853352	0	37	-2.0	-108.10	320.38	9.01	-99.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C3OCOC3=C2)C1	REAL300005853353	0	40	-2.0	-107.22	340.90	7.65	-99.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(F)C=C2)C1	REAL300005853354	0	37	-2.0	-104.87	320.59	9.01	-95.86
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)CC1	REAL300005853355	0	51	-2.0	-113.59	410.41	10.04	-103.55
COC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NO2)C=C1	REAL300005853356	0	43	-2.0	-119.79	360.00	8.41	-111.38
CCC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NO2)C=C1	REAL300005853357	0	45	-2.0	-119.42	373.46	10.56	-108.86
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300005853358	0	45	-2.0	-109.72	359.74	10.04	-99.68
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300005853359	0	42	-2.0	-105.36	338.53	8.79	-96.57
C=CCCCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005853360	0	49	-2.0	-104.51	397.07	11.60	-92.91
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300005853361	0	44	-2.0	-119.33	339.27	8.39	-110.94
CC1=CC=C(Cl)C=C1OCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853362	0	40	-2.0	-105.35	351.10	9.60	-95.75
CC(C)(C)C12CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)(C1)C2	REAL300005853363	0	46	-2.0	-105.33	360.98	9.57	-95.76
CC1=CC(C(F)(F)F)=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853364	0	37	-2.0	-120.16	329.85	7.03	-113.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)C=CS2)C1	REAL300005853365	0	33	-2.0	-113.41	300.16	7.55	-105.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300005853366	0	43	-2.0	-120.37	366.01	10.83	-109.54
CC1(C)CCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)OC1	REAL300005853367	0	46	-2.0	-121.43	349.31	8.45	-112.98
CC(C)(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)F	REAL300005853368	0	41	-2.0	-104.31	323.12	8.08	-96.23
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1	REAL300005853369	0	41	-2.0	-119.96	342.88	4.09	-115.87
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CNN=C2C=C1	REAL300005853370	0	39	-2.0	-116.39	324.39	6.86	-109.53
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300005853371	0	37	-2.0	-114.07	330.50	7.63	-106.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCOC3=C(F)C=CC=C32)C1	REAL300005853372	0	41	-2.0	-114.52	328.94	8.14	-106.38
CS(=O)(=O)C1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853373	0	45	-2.0	-128.88	358.89	5.21	-123.67
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300005853374	0	40	-2.0	-110.41	354.67	10.18	-100.23
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2N=C(C(F)F)C=C2C2CC2)C1	REAL300005853375	0	43	-2.0	-108.61	371.35	8.61	-100.00
CCC(CC1=CC=CC(C)=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853376	0	48	-2.0	-105.06	375.94	10.62	-94.44
CC(C)(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853377	0	46	-2.0	-120.07	353.66	8.55	-111.52
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853378	0	41	-2.0	-107.15	348.58	9.29	-97.86
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC(F)(F)C1	REAL300005853379	0	36	-2.0	-107.29	296.47	7.03	-100.26
CC(C)OC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300005853380	0	43	-2.0	-117.48	322.98	7.08	-110.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCO3)CCOCC2)C1	REAL300005853381	0	51	-2.0	-111.34	359.47	7.04	-104.30
CC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=C1	REAL300005853382	0	42	-2.0	-107.24	349.22	8.68	-98.56
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005853383	0	45	-2.0	-108.19	372.84	8.17	-100.02
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(SC(F)F)C=C2)C1	REAL300005853384	0	41	-2.0	-108.86	363.76	10.21	-98.65
COC1=CC=C(OC)C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853385	0	45	-2.0	-113.26	372.01	7.60	-105.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CSC=C2)C1	REAL300005853386	0	34	-2.0	-106.61	304.28	7.90	-98.71
CC1(C)CCC2=C(C1)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)=NO2	REAL300005853387	0	45	-2.0	-112.28	353.43	8.90	-103.38
CCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853388	0	39	-2.0	-112.09	315.48	6.55	-105.54
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC(C2=CC=C(C)C=C2)=N1	REAL300005853389	0	45	-2.0	-106.11	385.25	9.61	-96.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3CCCC3)=N2)C1	REAL300005853390	0	45	-2.0	-114.20	370.83	8.73	-105.47
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CSC(C3CC3)=N2)C1	REAL300005853391	0	39	-2.0	-114.69	336.85	7.68	-107.01
CC1CCC(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853392	0	46	-2.0	-106.22	360.61	9.18	-97.04
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300005853393	0	36	-2.0	-112.88	323.83	7.61	-105.27
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2CCC3=CC=CC=C32)C1	REAL300005853394	0	46	-2.0	-104.91	368.52	10.96	-93.95
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300005853395	0	35	-2.0	-116.15	308.17	7.55	-108.60
CC1(C)COC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853396	0	46	-2.0	-120.31	356.71	7.71	-112.60
CC(C)(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)(F)F	REAL300005853397	0	41	-2.0	-103.41	326.95	8.17	-95.24
COC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005853398	0	53	-2.0	-107.84	428.52	10.02	-97.82
COC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCC2=C1	REAL300005853399	0	47	-2.0	-118.04	369.06	9.39	-108.65
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853400	0	41	-2.0	-109.02	316.99	6.62	-102.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CN=C3)C=C2)C1	REAL300005853401	0	43	-2.0	-110.38	363.23	10.65	-99.73
CC1=NC(CN2CCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CC2)=CS1	REAL300005853402	0	50	-2.0	-107.76	406.11	6.93	-100.83
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1CCN(C)CC1	REAL300005853403	0	46	-2.0	-115.68	347.81	3.73	-111.95
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CN2CCOCC2)C1	REAL300005853404	0	39	-2.0	-113.97	304.02	3.58	-110.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCC3)CO2)C1	REAL300005853405	0	47	-2.0	-112.69	359.39	9.17	-103.52
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCOCC3)CO2)C1	REAL300005853406	0	51	-2.0	-112.44	376.47	7.73	-104.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	REAL300005853407	0	41	-2.0	-103.26	327.31	7.09	-96.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3CCC(C2)S3)C1	REAL300005853408	0	41	-2.0	-109.26	305.86	7.97	-101.29
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CSC=C2C(F)F)C1	REAL300005853409	0	33	-2.0	-125.61	297.91	7.44	-118.17
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005853410	0	50	-2.0	-109.31	407.71	9.28	-100.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)C1	REAL300005853411	0	40	-2.0	-112.24	338.63	9.91	-102.33
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(Br)C=C2)C1	REAL300005853412	0	42	-2.0	-104.32	369.57	10.67	-93.65
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC(F)=CC(F)=C3)C=C2)C1	REAL300005853413	0	40	-2.0	-117.35	351.17	9.27	-108.08
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CC=CC=C2)C1	REAL300005853414	0	45	-2.0	-105.45	370.45	10.85	-94.60
CC1(C)COC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853415	0	43	-2.0	-113.49	336.15	7.67	-105.82
CC1=C2OC=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=CC=C1Cl	REAL300005853416	0	42	-2.0	-115.91	362.69	9.95	-105.96
CC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2N=C1	REAL300005853417	0	38	-2.0	-130.47	319.52	7.03	-123.44
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853418	0	43	-2.0	-115.96	362.49	8.76	-107.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC3(CCC3)O2)C1	REAL300005853419	0	44	-2.0	-121.03	344.12	8.07	-112.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCC3)C2)C1	REAL300005853420	0	44	-2.0	-116.78	337.82	7.49	-109.29
COC1=CC2=CC=C(C=CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300005853421	0	47	-2.0	-110.50	390.42	10.53	-99.97
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC=CCCC2)C1	REAL300005853422	0	43	-2.0	-104.48	325.81	8.76	-95.72
CCN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853423	0	43	-2.0	-103.47	348.86	8.05	-95.42
CN1N=C2CCCC2=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853424	0	40	-2.0	-118.42	326.30	7.23	-111.19
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853425	0	41	-2.0	-134.79	334.78	9.80	-124.99
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300005853426	0	38	-2.0	-109.20	319.87	7.63	-101.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC3(C2)CC(F)(F)C3)C1	REAL300005853427	0	40	-2.0	-104.87	333.67	8.75	-96.12
CCSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853428	0	43	-2.0	-109.48	363.64	10.19	-99.29
C=CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300005853429	0	49	-2.0	-108.14	407.60	9.68	-98.46
CCCCC1=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300005853430	0	52	-2.0	-109.41	431.41	12.63	-96.78
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(Br)=C1	REAL300005853431	0	40	-2.0	-106.05	353.85	10.12	-95.93
CC1=CC=CC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=C1	REAL300005853432	0	46	-2.0	-121.40	370.32	11.54	-109.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC3=C(C=CS3)C2=O)C1	REAL300005853433	0	42	-2.0	-119.78	349.85	10.39	-109.39
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3OCCCOC3=C2[N+](=O)[O-])C1	REAL300005853434	0	44	-2.0	-111.90	373.65	8.28	-103.62
COC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCSC1	REAL300005853435	0	38	-2.0	-105.38	301.21	6.25	-99.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CC2)C1	REAL300005853436	0	37	-2.0	-103.56	308.30	6.84	-96.72
CC12CC3CC(C1)CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)(C3)C2	REAL300005853437	0	50	-2.0	-108.70	356.92	9.61	-99.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3CCCCC3)CC2)C1	REAL300005853438	0	46	-2.0	-118.29	339.36	9.40	-108.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)C1	REAL300005853439	0	46	-2.0	-114.78	374.78	8.49	-106.29
COC1=CC=CC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853440	0	40	-2.0	-123.54	335.04	8.17	-115.37
CC1=CC=C(F)C(Br)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853441	0	36	-2.0	-106.20	329.54	8.68	-97.52
COC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=NN21	REAL300005853442	0	40	-2.0	-127.21	332.58	6.02	-121.19
CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300005853443	0	46	-2.0	-121.94	377.01	9.78	-112.16
CC1CCC2=C(C1)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)=NN2	REAL300005853444	0	43	-2.0	-124.75	336.74	7.54	-117.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)S2)C1	REAL300005853445	0	40	-2.0	-106.07	371.45	8.71	-97.36
CN1N=C2CCCCC2=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853446	0	43	-2.0	-118.75	344.13	7.75	-111.00
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853447	0	43	-2.0	-114.92	352.35	8.80	-106.12
CN1N=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853448	0	36	-2.0	-108.19	313.34	6.18	-102.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=CC=C(C3CC3)C=C2)C1	REAL300005853449	0	49	-2.0	-106.42	398.18	12.18	-94.24
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCOC3)NC2=O)C1	REAL300005853450	0	41	-2.0	-126.59	332.17	4.49	-122.10
CCN1C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853451	0	37	-2.0	-107.30	320.59	8.24	-99.06
COC1=CC(OC)=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853452	0	39	-2.0	-103.92	330.14	2.93	-100.99
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCS1(=O)=O	REAL300005853453	0	39	-2.0	-112.07	315.35	4.89	-107.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(CC3=CC=CC=C3)=C2)C1	REAL300005853454	0	42	-2.0	-120.34	353.97	10.00	-110.34
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300005853455	0	42	-2.0	-110.71	349.29	6.94	-103.77
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005853456	0	41	-2.0	-115.27	332.05	8.57	-106.70
CCN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1CC1	REAL300005853457	0	43	-2.0	-126.04	349.66	8.73	-117.31
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300005853458	0	39	-2.0	-112.96	333.67	9.33	-103.63
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=NO1	REAL300005853459	0	42	-2.0	-110.82	354.51	9.29	-101.53
N#CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC2CCC1C2	REAL300005853460	0	41	-2.0	-109.51	322.12	7.75	-101.76
COC1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853461	0	39	-2.0	-106.81	336.09	3.67	-103.14
CC1=NNC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C12	REAL300005853462	0	39	-2.0	-127.41	324.49	6.78	-120.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCOC3(CCCC3)C2)C1	REAL300005853463	0	47	-2.0	-117.76	350.45	7.94	-109.82
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=CC=C1	REAL300005853464	0	41	-2.0	-118.98	335.10	7.23	-111.75
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)N1	REAL300005853465	0	42	-2.0	-117.84	347.95	6.52	-111.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3NC=CC3=N2)C1	REAL300005853466	0	36	-2.0	-119.47	306.14	6.41	-113.06
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CC=C3N2)C1	REAL300005853466	1	36	-2.0	-110.50	306.12	5.71	-104.79
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300005853467	0	46	-2.0	-120.00	362.15	8.37	-111.63
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(CCCOCC3=CC=CC=C3)CC2)C1	REAL300005853468	0	53	-2.0	-119.42	425.94	11.09	-108.33
CN1C=NC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853469	0	37	-2.0	-117.46	319.40	8.42	-109.04
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(N3CCCCCC3)C=C2)C1	REAL300005853470	0	51	-2.0	-121.88	379.54	9.09	-112.79
CC(SC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853471	0	40	-2.0	-102.87	351.07	9.60	-93.27
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C(F)F)SC=C2)C1	REAL300005853472	0	33	-2.0	-123.32	296.35	7.39	-115.93
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)C1	REAL300005853473	0	46	-2.0	-113.08	373.06	11.52	-101.56
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3C=CN=N3)O2)C1	REAL300005853474	0	39	-2.0	-119.24	333.99	6.34	-112.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=CC=N3)N=C2)C1	REAL300005853475	0	39	-2.0	-120.70	331.04	8.00	-112.70
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005853476	0	39	-2.0	-104.59	340.85	9.56	-95.03
CC1=CC(C)=NN1CCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853477	0	45	-2.0	-110.93	372.51	8.36	-102.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NC=CC3=CC=CN=C32)C1	REAL300005853478	0	37	-2.0	-132.76	310.80	7.04	-125.72
CC1(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCS(=O)(=O)N1	REAL300005853479	0	41	-2.0	-114.39	336.48	2.67	-111.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC3=CC(Cl)=CC=C32)C1	REAL300005853480	0	38	-2.0	-102.60	335.60	8.26	-94.34
COC1=CC=CC(CC(C)CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853481	0	49	-2.0	-108.04	391.17	9.79	-98.25
CC(C)C1CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300005853482	0	46	-2.0	-104.93	345.72	7.44	-97.49
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2CCOC3)C1	REAL300005853483	0	41	-2.0	-107.97	332.36	7.42	-100.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCCC(C(F)(F)F)O2)C1	REAL300005853484	0	43	-2.0	-119.88	352.77	8.56	-111.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC(C3CC3)O2)C1	REAL300005853485	0	44	-2.0	-109.42	354.16	8.80	-100.62
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)C1	REAL300005853486	0	49	-2.0	-114.89	384.02	6.99	-107.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)C1	REAL300005853487	0	49	-2.0	-108.80	392.45	9.61	-99.19
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CC[C@@H]3C[C@@H]3CC2)C1	REAL300005853488	0	43	-2.0	-117.75	313.53	8.77	-108.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(CCC3=CC=CC=C3)CC2)C1	REAL300005853490	0	46	-2.0	-116.62	368.35	10.97	-105.65
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853491	0	42	-2.0	-105.41	353.83	5.96	-99.45
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOC2=CC=CC=C21	REAL300005853492	0	44	-2.0	-115.66	336.01	7.96	-107.70
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CC=C3)CCCO2)C1	REAL300005853493	0	44	-2.0	-108.24	351.49	8.78	-99.46
COC1=CC=C2NC=CC2=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853494	0	41	-2.0	-132.14	339.50	6.99	-125.15
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853495	0	46	-2.0	-111.37	364.95	6.99	-104.38
CN1C=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=N1	REAL300005853496	0	42	-2.0	-112.49	358.08	9.50	-102.99
CC1=CC(C)=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853497	0	38	-2.0	-113.68	317.50	7.71	-105.97
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CCCC3)N=CS2)C1	REAL300005853498	0	42	-2.0	-117.75	343.37	8.01	-109.74
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)N2N=CN=C2N1C	REAL300005853499	0	45	-2.0	-107.39	347.09	9.95	-97.44
CC1=CC=NC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853500	0	39	-2.0	-109.33	327.63	7.73	-101.60
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853502	0	48	-2.0	-114.46	384.96	9.45	-105.01
CN1C=CC(NC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=N1	REAL300005853503	0	45	-2.0	-113.31	375.34	8.82	-104.49
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=NN1C1=CN(C)N=C1	REAL300005853504	0	42	-2.0	-114.96	352.41	5.87	-109.09
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=NN1C1=NN(C)C=C1	REAL300005853505	0	42	-2.0	-117.32	354.79	7.16	-110.16
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853506	0	42	-2.0	-117.53	364.40	6.54	-110.99
CCOC1=NC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2N1	REAL300005853507	0	43	-2.0	-118.03	355.67	4.89	-113.14
CCC(CC)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853508	0	49	-2.0	-106.80	383.67	9.60	-97.20
CC1=CC(F)=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300005853509	0	39	-2.0	-116.02	329.75	9.16	-106.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=COC=C2)C1	REAL300005853510	0	37	-2.0	-106.32	323.61	5.54	-100.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=COC=C3)NN=C2)C1	REAL300005853510	1	37	-2.0	-107.89	323.53	5.46	-102.43
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=COC=C2)=N1	REAL300005853511	0	40	-2.0	-109.87	346.17	6.83	-103.04
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC2CCCC2)C1	REAL300005853512	0	50	-2.0	-110.28	397.60	10.67	-99.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC=C2OC2CCOC2)C1	REAL300005853513	0	48	-2.0	-127.88	383.61	8.20	-119.68
COCC(C)(C)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853514	0	42	-2.0	-103.42	330.17	6.57	-96.85
CC1=CN2C=CN=C2C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853515	0	39	-2.0	-118.98	332.95	8.86	-110.12
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)C1	REAL300005853516	0	43	-2.0	-124.04	353.48	5.91	-118.13
CC(C)(C)CCC1(O)CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005853517	0	52	-2.0	-105.59	399.16	7.44	-98.15
CCOC1=NC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853518	0	42	-2.0	-117.02	346.63	5.88	-111.14
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853519	0	39	-2.0	-111.35	347.81	9.08	-102.27
CNC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=NS1	REAL300005853520	0	37	-2.0	-115.88	320.78	4.85	-111.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2)C1	REAL300005853521	0	44	-2.0	-104.23	375.31	10.32	-93.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC(F)=CC3=C2OCOC3)C1	REAL300005853522	0	42	-2.0	-119.28	350.06	7.70	-111.58
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853523	0	47	-2.0	-123.25	397.60	5.11	-118.14
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853524	0	39	-2.0	-111.70	340.65	1.72	-109.98
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853525	0	42	-2.0	-111.79	369.02	3.93	-107.86
CC1=NC(COC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=NO1	REAL300005853526	0	45	-2.0	-111.60	382.73	6.19	-105.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=CC=C2)C1	REAL300005853527	0	40	-2.0	-119.50	332.68	7.63	-111.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3=CC=CS3)=C2)C1	REAL300005853528	0	36	-2.0	-119.07	322.32	8.24	-110.83
COCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853529	0	46	-2.0	-112.97	378.72	5.01	-107.96
NS(=O)(=O)C1=CN(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005853530	0	41	-2.0	-112.05	364.21	1.30	-110.75
NS(=O)(=O)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853531	0	41	-2.0	-131.56	354.43	3.17	-128.39
NS(=O)(=O)C1=CN(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005853532	0	38	-2.0	-114.65	336.91	0.75	-113.90
NS(=O)(=O)C1=CC=C(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853533	0	42	-2.0	-111.24	369.15	3.36	-107.88
CC(C)CC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005853534	0	41	-2.0	-115.70	347.10	8.12	-107.58
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005853535	0	35	-2.0	-109.55	326.25	1.42	-108.13
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(N3C=NC=N3)=C2)C1	REAL300005853536	0	38	-2.0	-106.21	330.30	9.25	-96.96
CC1=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CN1C	REAL300005853537	0	44	-2.0	-112.39	383.01	2.99	-109.40
CC1=NOC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853538	0	35	-2.0	-107.87	310.64	6.78	-101.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CN=C3N2)C1	REAL300005853539	0	35	-2.0	-113.90	300.65	6.49	-107.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3N=CNC3=N2)C1	REAL300005853539	1	35	-2.0	-111.67	299.99	7.13	-104.54
CC1=C(C)NC(=O)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853540	0	38	-2.0	-125.62	317.89	5.83	-119.79
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCN(C3=CC=CC=C3)C2)C1	REAL300005853541	0	45	-2.0	-104.84	354.50	7.78	-97.06
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CC(=O)N1	REAL300005853542	0	36	-2.0	-115.22	301.15	5.03	-110.19
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1	REAL300005853543	0	39	-2.0	-105.87	340.02	9.52	-96.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CC=NC=C3C=C2)C1	REAL300005853544	0	41	-2.0	-107.19	346.39	8.93	-98.26
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC3=CNN=C3C=C2)C1	REAL300005853545	0	39	-2.0	-111.15	332.32	7.19	-103.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC=CC(C(F)F)=C2)C1	REAL300005853546	0	39	-2.0	-108.83	339.55	9.39	-99.44
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300005853547	0	39	-2.0	-118.40	332.41	9.52	-108.88
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CN3C=C2)C1	REAL300005853548	0	36	-2.0	-116.59	305.97	8.21	-108.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=NC=CN32)C1	REAL300005853549	0	36	-2.0	-121.10	305.42	7.96	-113.14
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN3N=NN=C3C=C2)C1	REAL300005853550	0	34	-2.0	-108.69	292.78	5.65	-103.04
CC1=CN2C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CN=C2C=C1	REAL300005853551	0	39	-2.0	-112.65	325.36	8.29	-104.36
CC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=CC=CN12	REAL300005853552	0	39	-2.0	-136.16	321.59	9.47	-126.69
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NC=C3C=CC=CN32)C1	REAL300005853553	0	36	-2.0	-119.23	305.24	8.79	-110.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3CCCCC3=NO2)C1	REAL300005853554	0	39	-2.0	-107.43	317.31	7.30	-100.13
CC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCC2=C1	REAL300005853555	0	44	-2.0	-118.22	349.69	10.45	-107.77
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N2C=C1	REAL300005853556	0	40	-2.0	-109.03	334.52	7.01	-102.02
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=CN=CN=C2)C1	REAL300005853557	0	37	-2.0	-105.37	317.10	7.30	-98.07
COC1=COC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC1=O	REAL300005853558	0	36	-2.0	-102.45	311.79	5.73	-96.72
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN3C=NC=C3C=C2)C1	REAL300005853559	1	36	-2.0	-113.73	306.09	9.03	-104.70
CCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853560	0	38	-2.0	-103.64	318.33	7.07	-96.57
CC1=CSC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853561	0	38	-2.0	-104.68	333.37	6.97	-97.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=NC=C3N=C2)C1	REAL300005853562	0	37	-2.0	-102.18	316.72	6.04	-96.14
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C	REAL300005853563	0	38	-2.0	-114.33	313.72	7.65	-106.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC(F)=C3N=C2)C1	REAL300005853564	0	38	-2.0	-110.77	327.43	7.76	-103.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CCCC3)C=C2)C1	REAL300005853565	0	46	-2.0	-105.70	364.08	10.59	-95.11
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=NN1	REAL300005853566	0	36	-2.0	-123.25	319.50	5.53	-117.72
CC1=NNC(C(F)(F)F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853566	1	36	-2.0	-110.09	322.33	5.66	-104.43
CCOC1=NOC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853567	0	36	-2.0	-102.33	311.45	4.01	-98.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC(=O)C3=CC=CN32)C1	REAL300005853568	0	40	-2.0	-104.46	329.31	7.66	-96.80
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2NC(=O)C=C3)C1	REAL300005853569	0	39	-2.0	-131.71	325.14	6.75	-124.96
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853570	0	44	-2.0	-123.58	364.97	3.64	-119.94
COCCOC1=CN=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853571	0	43	-2.0	-107.17	360.45	5.12	-102.05
CNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853572	0	40	-2.0	-118.14	347.13	1.73	-116.41
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853573	0	37	-2.0	-122.72	325.32	0.54	-122.18
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853574	0	43	-2.0	-122.67	365.89	3.64	-119.03
CN1C=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853575	0	41	-2.0	-114.91	363.50	3.20	-111.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300005853576	0	40	-2.0	-104.71	366.95	7.99	-96.72
CCC(C)(C)C1CCC2(CC2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853577	0	58	-2.0	-110.87	413.10	11.55	-99.32
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1CC1	REAL300005853578	0	44	-2.0	-106.16	358.01	8.87	-97.29
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1	REAL300005853579	0	46	-2.0	-108.11	394.87	10.11	-98.00
CSCC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853580	0	41	-2.0	-105.39	363.08	5.91	-99.48
CCOC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853581	0	42	-2.0	-124.20	346.32	6.09	-118.11
CCCOC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853582	0	45	-2.0	-124.30	366.52	7.17	-117.13
COCCC(C)(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853583	0	42	-2.0	-114.56	319.32	5.79	-108.77
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=CS3)CCCCC2)C1	REAL300005853584	0	49	-2.0	-117.01	367.29	10.36	-106.65
COC1=CC(OC2CC2)=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853585	0	45	-2.0	-121.06	364.69	8.02	-113.04
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=N2)C1	REAL300005853586	0	43	-2.0	-110.61	363.42	9.28	-101.33
CC(C)(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300005853587	0	45	-2.0	-109.54	355.34	7.44	-102.10
CC1=NC=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005853588	0	40	-2.0	-106.74	338.50	7.28	-99.46
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)C1	REAL300005853589	0	50	-2.0	-113.77	394.49	11.06	-102.71
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCC2=NNN=C2)C1	REAL300005853590	0	41	-2.0	-107.09	343.57	5.89	-101.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCC2=CNN=N2)C1	REAL300005853590	1	41	-2.0	-111.75	344.35	5.99	-105.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300005853591	0	41	-2.0	-121.92	350.72	8.80	-113.12
CCC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N=N1	REAL300005853593	0	40	-2.0	-111.52	326.37	6.60	-104.92
CC1(CN2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=N2)COC1	REAL300005853594	0	43	-2.0	-116.02	353.23	5.03	-110.99
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CC(C)N1C=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853596	0	39	-2.0	-116.57	323.81	8.79	-107.78
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CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853634	0	50	-2.0	-127.87	396.38	11.97	-115.90
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CC(C)C1CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300005853644	0	49	-2.0	-103.58	368.71	8.25	-95.33
CCC1CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300005853645	0	46	-2.0	-104.69	351.97	7.71	-96.98
CCC1CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300005853646	0	43	-2.0	-104.14	330.87	6.89	-97.25
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COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN(C)N=C1	REAL300005853653	0	40	-2.0	-104.49	335.49	5.98	-98.51
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(NCC(F)(F)F)=N1	REAL300005853654	0	43	-2.0	-112.10	366.97	7.23	-104.87
CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)S(=O)(=O)C1CC1	REAL300005853655	0	42	-2.0	-125.17	334.78	4.86	-120.31
CN1C=C(OC2=CC=CC=C2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853656	0	44	-2.0	-123.44	366.57	8.32	-115.12
CN1N=CC2=C1N=C(CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)NC2=O	REAL300005853657	0	44	-2.0	-106.88	374.59	6.47	-100.41
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1O	REAL300005853658	0	41	-2.0	-107.47	345.65	5.58	-101.89
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CC1CCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005853661	0	45	-2.0	-105.03	339.73	9.17	-95.86
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COC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005853664	0	43	-2.0	-124.95	361.46	8.54	-116.41
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CCCOC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853668	0	42	-2.0	-129.33	339.92	8.82	-120.51
CC(C)(C)C1=CC=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCC2)C=C1	REAL300005853669	0	55	-2.0	-107.77	416.97	11.96	-95.81
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CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300005853674	0	39	-2.0	-119.79	336.62	7.12	-112.67
CN1C=CN=C1CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853675	0	48	-2.0	-113.27	395.87	8.33	-104.94
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CC1=CN2C=CN=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=N1	REAL300005853678	0	38	-2.0	-132.56	320.31	7.82	-124.74
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CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300005853683	0	46	-2.0	-113.69	375.21	8.43	-105.26
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CC1=C(Br)C=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853685	0	39	-2.0	-113.91	334.69	9.55	-104.36
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CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)NC2=CC=CC=C21	REAL300005853687	0	42	-2.0	-121.66	351.75	7.18	-114.48
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CCCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CN1	REAL300005853690	0	40	-2.0	-123.26	322.62	7.53	-115.73
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CC(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1C=CC=N1	REAL300005853756	0	39	-2.0	-105.69	322.33	6.91	-98.78
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CN1C=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)O2)C=N1	REAL300005853764	0	40	-2.0	-108.48	346.82	7.43	-101.05
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CCCCN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853825	0	45	-2.0	-117.87	359.91	8.13	-109.74
CCCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=N1	REAL300005853826	0	45	-2.0	-115.47	361.44	8.20	-107.27
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CCC(C)(C)C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853837	0	48	-2.0	-118.85	348.64	10.00	-108.85
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CCN(C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005853846	1	47	-2.0	-107.45	367.48	7.89	-99.56
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CCN1N=C(C)C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005853849	0	45	-2.0	-109.13	369.09	8.11	-101.02
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300005853850	0	45	-2.0	-106.93	382.12	6.35	-100.58
CCN(CC)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005853851	1	50	-2.0	-105.23	382.99	8.50	-96.73
CC(C)COC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853852	0	45	-2.0	-125.36	365.03	7.23	-118.13
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CSCCCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853854	0	39	-2.0	-104.03	333.09	8.26	-95.77
CSC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005853855	0	40	-2.0	-103.65	336.35	9.26	-94.39
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COC1=CC=CC(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CC2)=C1	REAL300005853857	0	44	-2.0	-109.96	360.79	8.67	-101.29
CN(C)S(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853858	0	39	-2.0	-105.89	337.17	1.35	-104.54
CC(C)C1=NC=CN1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853859	0	42	-2.0	-104.69	347.30	8.26	-96.43
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CNC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005853861	0	34	-2.0	-111.46	302.70	5.32	-106.14
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CN(C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005853863	0	44	-2.0	-103.57	368.98	7.81	-95.76
CCN1N=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300005853864	0	46	-2.0	-117.95	372.02	9.46	-108.49
CC(C)(C)OCC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005853865	0	45	-2.0	-121.02	362.40	7.36	-113.66
CC=CCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853866	0	47	-2.0	-109.38	392.03	10.16	-99.22
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CCC(C)C	REAL300005853867	0	48	-2.0	-117.64	377.47	8.63	-109.01
CC(C)CC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853868	0	51	-2.0	-114.01	396.72	11.58	-102.43
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853869	0	43	-2.0	-116.80	361.42	9.33	-107.47
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300005853870	0	41	-2.0	-120.24	344.50	6.68	-113.56
COCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005853871	0	47	-2.0	-112.60	391.05	7.98	-104.62
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CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1=CC=C(F)C=C1	REAL300005853873	0	43	-2.0	-115.63	366.81	9.73	-105.90
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1=CC=CC=C1	REAL300005853874	0	49	-2.0	-118.64	395.11	10.69	-107.95
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CC1=NN(CC(F)F)C(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853878	0	42	-2.0	-121.49	357.78	7.64	-113.85
CN1C=C(CNC2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=N1	REAL300005853879	0	48	-2.0	-110.65	399.03	7.80	-102.85
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853880	0	48	-2.0	-109.58	388.84	8.78	-100.80
CCSCC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005853881	0	39	-2.0	-110.13	344.74	8.25	-101.88
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CC(C)(C)C1=NNC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005853884	0	42	-2.0	-115.68	330.34	6.28	-109.40
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CCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1CCOC(CC)C1	REAL300005853886	0	51	-2.0	-104.85	381.87	6.02	-98.83
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CC(C)CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005853954	0	49	-2.0	-107.52	396.02	11.66	-95.86
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CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=C2NC=NC2=NC=N1	REAL300005853966	0	42	-2.0	-111.28	346.93	7.23	-104.05
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CC(C)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005853968	0	43	-2.0	-116.04	344.73	6.82	-109.22
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CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC=N1	REAL300005853975	0	38	-2.0	-114.74	326.54	6.80	-107.94
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CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCC1	REAL300005853977	0	48	-2.0	-115.11	339.11	9.00	-106.11
COCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005853978	0	43	-2.0	-108.28	330.07	6.42	-101.86
COCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005853979	0	44	-2.0	-114.54	321.02	5.15	-109.39
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CC(C)(C)N1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005853984	0	41	-2.0	-114.26	339.04	6.29	-107.97
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005853985	0	35	-2.0	-108.77	301.20	6.38	-102.39
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CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300005854011	0	45	-2.0	-120.27	340.18	7.58	-112.69
CC(O)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300005854012	0	40	-2.0	-100.98	341.43	6.34	-94.64
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CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1CCSCC1	REAL300005854017	0	42	-2.0	-108.88	326.37	5.92	-102.96
CC(C)CC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854018	0	54	-2.0	-105.88	430.16	12.77	-93.11
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CC(C)(C)SC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300005854021	0	45	-2.0	-115.31	365.53	9.81	-105.50
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CN(CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854025	1	47	-2.0	-104.77	378.25	8.32	-96.45
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CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854041	0	37	-2.0	-116.51	304.32	5.34	-111.17
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854042	0	40	-2.0	-115.64	321.82	7.26	-108.38
CCCC1=NNC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854043	0	39	-2.0	-116.52	320.57	6.09	-110.43
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CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300005854045	0	48	-2.0	-121.70	374.90	9.94	-111.76
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CC1=NNC(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854049	0	42	-2.0	-104.41	326.73	6.06	-98.35
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COC1=CC(C)=CN=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854052	0	39	-2.0	-128.55	318.01	7.75	-120.80
CC(C)(C)C1=CN=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005854053	0	47	-2.0	-117.80	378.17	6.71	-111.09
CSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854054	0	40	-2.0	-109.19	342.17	9.34	-99.85
CCC1=NN(C)C(CC)=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854055	0	48	-2.0	-108.88	391.85	8.75	-100.13
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CCSC1=CC=C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854057	0	43	-2.0	-106.27	367.75	10.36	-95.91
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CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCC(=O)CC1	REAL300005854066	0	41	-2.0	-115.03	306.57	6.88	-108.15
CCOC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300005854067	0	36	-2.0	-120.41	305.61	3.67	-116.74
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CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854070	0	41	-2.0	-125.30	329.27	8.38	-116.92
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CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOCC1	REAL300005854072	0	46	-2.0	-105.22	334.34	6.58	-98.64
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CN(C)S(=O)(=O)N(C)CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854076	0	42	-2.0	-113.85	356.91	3.33	-110.52
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CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854078	0	45	-2.0	-120.04	374.22	6.47	-113.57
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CC(OC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1)C1=CC=CC=C1	REAL300005854085	0	50	-2.0	-106.04	407.88	11.31	-94.73
CN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCSC1	REAL300005854086	1	42	-2.0	-104.54	338.93	6.24	-98.30
CC(C)CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C21	REAL300005854087	0	49	-2.0	-127.31	390.27	11.47	-115.84
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CN1C=CN=C1CN1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005854261	0	51	-2.0	-111.09	399.82	7.21	-103.88
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CC(OCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854402	0	43	-2.0	-105.65	362.37	9.39	-96.26
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CC1=NC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854409	0	41	-2.0	-106.67	340.32	8.42	-98.25
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CC(C)(C)OC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854412	0	51	-2.0	-106.45	404.86	9.45	-97.00
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CC1=NN=C2CCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CN12	REAL300005854450	0	42	-2.0	-111.44	334.79	8.31	-103.13
CCN(CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300005854451	0	44	-2.0	-105.92	357.99	9.57	-96.35
CN(C)C1=NC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)S2)S1	REAL300005854452	0	40	-2.0	-120.03	353.88	7.81	-112.22
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COC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=NN1C	REAL300005854459	0	40	-2.0	-119.93	337.13	4.87	-115.06
CC1=CC=C(N2CCCC2)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854460	0	48	-2.0	-125.86	369.45	8.69	-117.17
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854461	0	43	-2.0	-112.49	360.04	10.52	-101.97
CC1=CC=C(NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2)N=N1	REAL300005854462	0	46	-2.0	-107.94	380.16	8.29	-99.65
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NC1=C(F)C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854466	0	35	-2.0	-108.15	309.80	6.15	-102.00
CC(OCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854467	0	46	-2.0	-106.20	378.58	10.15	-96.05
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CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300005854469	0	41	-2.0	-113.91	334.90	7.78	-106.13
CN1C=NC=C1CCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854470	0	39	-2.0	-108.23	328.00	8.41	-99.82
CC(C)CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005854471	0	48	-2.0	-116.88	334.31	9.35	-107.53
CC1(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005854472	0	44	-2.0	-112.89	336.86	7.16	-105.73
CS(=O)(=O)C1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005854473	0	36	-2.0	-115.44	305.86	3.60	-111.84
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300005854474	0	45	-2.0	-116.15	351.33	7.52	-108.63
CC(C)C(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CN=C1	REAL300005854475	0	44	-2.0	-104.88	354.93	8.20	-96.68
CC1=CC(F)=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=N2)=C1	REAL300005854476	0	42	-2.0	-120.76	356.69	8.47	-112.29
COC(C)(C)C1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854477	0	45	-2.0	-105.93	372.90	6.10	-99.83
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COCC(C)C(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854481	0	42	-2.0	-104.76	332.94	6.21	-98.55
CCC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1CCC(C)CC1	REAL300005854482	0	51	-2.0	-107.35	371.02	9.96	-97.39
COCC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C1=CC=CC=C1	REAL300005854483	0	47	-2.0	-121.59	383.52	8.28	-113.31
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CC(=O)C1=CN(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005854486	0	37	-2.0	-121.61	318.21	4.88	-116.73
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CC1=CC2=C(C)C=CN=C2C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854490	0	44	-2.0	-133.69	356.35	9.29	-124.40
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CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854625	0	43	-2.0	-102.69	366.91	9.71	-92.98
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005854626	0	49	-2.0	-106.31	398.22	10.27	-96.04
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CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854636	0	47	-2.0	-109.50	367.01	6.97	-102.53
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300005854637	0	45	-2.0	-114.69	358.17	9.98	-104.71
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CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854646	0	46	-2.0	-102.97	361.00	6.73	-96.24
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CC(C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1)C(F)(F)F	REAL300005854649	0	42	-2.0	-106.06	354.92	9.56	-96.50
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CC(C)(O)C1CCC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005854652	0	49	-2.0	-118.03	352.37	6.27	-111.76
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CC(C)N1C=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854655	0	42	-2.0	-112.12	346.92	7.57	-104.55
CN1C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300005854656	0	45	-2.0	-132.61	368.87	9.83	-122.78
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CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=C(N=CNC2=O)O1	REAL300005854658	0	38	-2.0	-140.04	328.71	4.39	-135.65
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CN(C)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854668	0	47	-2.0	-106.68	378.97	9.70	-96.98
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CN(C)C1=CC=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854677	0	40	-2.0	-124.88	320.26	6.95	-117.93
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CCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854680	0	49	-2.0	-123.64	384.97	9.85	-113.79
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CN1CCOCC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854682	0	39	-2.0	-104.83	310.10	3.06	-101.77
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CC(C)CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)N1C=CN=C1	REAL300005854691	0	45	-2.0	-102.05	359.41	9.85	-92.20
CCC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854692	0	39	-2.0	-117.70	319.18	6.55	-111.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN3CCCCC3=C2)C1	REAL300005854693	0	40	-2.0	-114.48	325.32	7.45	-107.03
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(N3C=CN=N3)C=CS2)C1	REAL300005854694	0	36	-2.0	-127.34	320.29	6.64	-120.70
CCC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854695	0	48	-2.0	-116.13	366.51	10.29	-105.84
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N1	REAL300005854696	0	36	-2.0	-119.50	306.07	6.21	-113.29
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1OC	REAL300005854697	0	44	-2.0	-105.62	357.94	7.34	-98.28
COCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854698	0	40	-2.0	-114.27	328.65	5.13	-109.14
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=NN2C2=CC=CC(F)=C2)C1	REAL300005854699	0	39	-2.0	-113.21	328.64	7.25	-105.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=NC=C3)N=C2)C1	REAL300005854700	0	39	-2.0	-115.22	328.03	6.85	-108.37
CC(CC1=CC=C(Br)C=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854701	0	42	-2.0	-103.02	362.82	10.18	-92.84
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CC=C(Cl)S2)C1	REAL300005854702	0	37	-2.0	-105.41	349.03	7.20	-98.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C3=CC=C(Cl)S3)NN=C2)C1	REAL300005854702	1	37	-2.0	-108.13	347.45	7.07	-101.06
CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=C(Cl)S2)=N1	REAL300005854703	0	40	-2.0	-106.79	371.87	8.52	-98.27
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854704	0	49	-2.0	-120.44	383.29	9.51	-110.93
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=CN(C)N=C1	REAL300005854705	0	47	-2.0	-111.96	390.77	9.25	-102.71
CCOC1=C2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300005854706	0	47	-2.0	-121.85	379.48	8.74	-113.11
CCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005854707	0	43	-2.0	-105.66	317.89	5.95	-99.71
NC1=C(Cl)C=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300005854708	0	35	-2.0	-103.41	322.44	6.41	-97.00
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005854709	0	49	-2.0	-105.97	392.53	7.39	-98.58
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CC3)N=N2)C1	REAL300005854710	0	39	-2.0	-124.16	325.52	6.78	-117.38
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005854711	0	38	-2.0	-114.14	321.94	5.96	-108.18
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300005854712	0	38	-2.0	-122.27	313.28	5.75	-116.52
CC1=NC(CN2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=N2)=NO1	REAL300005854713	0	40	-2.0	-127.65	345.98	3.74	-123.91
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNN=C2C2=CSC=C2)C1	REAL300005854714	0	37	-2.0	-105.85	330.88	6.38	-99.47
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCOC3)N=N2)C1	REAL300005854715	0	43	-2.0	-117.85	355.51	5.21	-112.64
CC1=CC(CN2N=NC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C)=NO1	REAL300005854716	0	44	-2.0	-118.71	372.44	6.77	-111.94
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=NN1CC1CCCC1	REAL300005854717	0	48	-2.0	-115.76	381.51	8.34	-107.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005854718	0	36	-3.0	-159.44	320.77	4.79	-154.65
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005854718	1	36	-3.0	-159.35	320.84	4.80	-154.55
CC(CC1=CN(C)N=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854719	0	42	-2.0	-108.33	344.89	7.31	-101.02
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C(C2=CN(C)N=C2)O1	REAL300005854720	0	42	-2.0	-127.63	353.53	5.70	-121.93
CC1=NC2=CC=NN2C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854721	0	38	-2.0	-112.01	315.25	6.73	-105.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(OCC(F)F)=C2)C1	REAL300005854722	0	39	-2.0	-118.81	336.61	5.45	-113.36
CC(C)CN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)F)=N1	REAL300005854723	0	45	-2.0	-116.43	367.37	8.56	-107.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300005854724	0	39	-2.0	-130.39	336.44	6.08	-124.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(OCC(F)F)=N2)C1	REAL300005854725	0	39	-2.0	-107.52	336.10	6.53	-100.99
CC(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300005854726	0	41	-2.0	-116.55	329.59	8.51	-108.04
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN2C=C1	REAL300005854727	0	39	-2.0	-135.36	322.05	10.64	-124.72
CCC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854728	0	38	-2.0	-111.85	318.40	7.03	-104.82
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C1CCCCC1	REAL300005854729	0	49	-2.0	-119.26	386.64	9.73	-109.53
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C(C)C1CC1	REAL300005854730	0	46	-2.0	-131.47	370.15	9.38	-122.09
CN(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005854731	0	40	-2.0	-120.09	328.84	5.05	-115.04
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N(C)C2=NC=N1	REAL300005854732	0	46	-2.0	-112.00	364.17	8.26	-103.74
CCC(CC)N1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854733	0	48	-2.0	-104.16	378.40	8.85	-95.31
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC(OCC(F)F)=CC=N2)C1	REAL300005854734	0	39	-2.0	-129.03	334.15	7.08	-121.95
COC1=CC=CN2N=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300005854736	0	40	-2.0	-129.24	329.50	7.58	-121.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(C3CCC3)N=C2)C1	REAL300005854737	0	40	-2.0	-116.70	322.23	7.17	-109.53
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=NC=CC=C3O2)C1	REAL300005854738	0	35	-2.0	-107.29	302.96	6.20	-101.09
COCCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300005854739	0	50	-2.0	-108.89	404.25	8.24	-100.65
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300005854740	0	43	-2.0	-109.31	365.32	8.14	-101.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NN2C2CCC2)C1	REAL300005854741	0	40	-2.0	-114.21	318.75	7.45	-106.76
CC1=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC=N1	REAL300005854742	0	36	-2.0	-107.15	319.66	6.78	-100.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300005854743	0	37	-2.0	-104.64	330.91	9.47	-95.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC3=C2OCC3)C1	REAL300005854744	0	38	-2.0	-126.59	312.74	7.40	-119.19
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C(C(C)(C)C)O1	REAL300005854745	0	45	-2.0	-106.19	366.26	9.05	-97.14
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300005854746	0	38	-2.0	-107.94	323.69	7.37	-100.57
CC(C)(C)C1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854747	0	45	-2.0	-108.52	381.34	8.75	-99.77
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854748	0	45	-2.0	-115.24	387.41	5.65	-109.59
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854749	0	50	-2.0	-111.39	403.85	10.71	-100.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=NC3=CC(Cl)=CC=C3C=C2)C1	REAL300005854750	0	42	-2.0	-115.53	375.36	10.09	-105.44
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNC=C2CC2=CC=CC=C2)C1	REAL300005854751	0	44	-2.0	-122.04	358.00	9.86	-112.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C(C3CC3)OC(C3CC3)=C2)C1	REAL300005854753	0	44	-2.0	-108.14	367.98	10.31	-97.83
CC1=CC=CC=C1C(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854754	0	42	-2.0	-115.03	330.54	9.38	-105.65
COC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854755	0	37	-2.0	-122.45	310.90	3.17	-119.28
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300005854756	0	51	-2.0	-106.06	409.63	11.22	-94.84
CCC1=CC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854757	0	39	-2.0	-106.33	340.59	9.40	-96.93
COC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854758	0	37	-2.0	-114.87	325.50	7.37	-107.50
COC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=N1	REAL300005854760	0	35	-2.0	-114.11	296.44	4.84	-109.27
COC1=NC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854761	0	35	-2.0	-121.40	296.29	3.51	-117.89
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C(Br)=CC=CN3N=C2)C1	REAL300005854762	0	36	-2.0	-123.22	319.87	7.84	-115.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300005854763	0	33	-2.0	-114.46	298.73	6.98	-107.48
CC1(C)C(C)(C)C1(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854764	0	45	-2.0	-106.51	331.55	8.24	-98.27
CCC1=NOC(COCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854765	0	41	-2.0	-110.66	353.59	5.10	-105.56
COC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C(C)N=C2C=C1	REAL300005854766	0	45	-2.0	-118.58	364.44	7.80	-110.78
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854767	0	46	-2.0	-118.19	366.07	11.28	-106.91
CC1=CC2=CC=C(C)C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C=C1	REAL300005854768	0	45	-2.0	-113.43	369.65	10.88	-102.55
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300005854769	0	40	-2.0	-120.84	343.22	8.26	-112.58
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300005854770	0	38	-2.0	-124.40	310.28	7.73	-116.67
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CO3)=C2)C1	REAL300005854771	0	39	-2.0	-108.41	336.54	7.40	-101.01
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN=CC(C(F)(F)F)=N2)C1	REAL300005854772	0	34	-2.0	-107.69	309.63	5.62	-102.07
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854773	0	48	-2.0	-126.95	392.60	8.47	-118.48
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=NC(C3=CC=CC=N3)=N2)C1	REAL300005854774	0	40	-2.0	-120.31	345.45	7.71	-112.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3C=COC3=CC=N2)C1	REAL300005854775	0	35	-2.0	-112.48	303.05	6.70	-105.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C23CCOC2CCCC3)C1	REAL300005854776	0	44	-2.0	-106.85	323.09	6.50	-100.35
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	REAL300005854777	0	50	-2.0	-108.50	387.92	5.16	-103.34
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005854778	0	38	-2.0	-113.44	313.81	7.71	-105.73
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN3CCCCC3=N2)C1	REAL300005854780	0	40	-2.0	-118.57	325.12	8.45	-110.12
CC1=NN(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300005854781	0	41	-2.0	-130.26	343.13	7.76	-122.50
CCCOC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1C	REAL300005854782	0	49	-2.0	-102.07	393.27	9.83	-92.24
CN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854783	0	40	-2.0	-116.91	326.39	7.32	-109.59
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CN3CCCCC3)O2)C1	REAL300005854784	1	48	-2.0	-109.16	380.84	7.52	-101.64
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854785	0	48	-2.0	-105.94	383.15	10.13	-95.81
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COC3=C(F)C=C(F)C=C3C2)C1	REAL300005854786	0	41	-2.0	-112.18	342.43	8.40	-103.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(CC3CC3)S2)C1	REAL300005854787	0	40	-2.0	-105.34	344.25	9.50	-95.84
COC1=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300005854788	0	44	-2.0	-110.27	365.07	7.09	-103.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(C3=CC=CC=C3)=N2)C1	REAL300005854789	0	42	-2.0	-126.42	334.94	10.10	-116.32
CC1=C2NC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=CC=C1[N+](=O)[O-]	REAL300005854790	0	42	-2.0	-109.52	348.42	9.12	-100.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=CNN=C32)C1	REAL300005854791	0	37	-2.0	-115.39	286.00	6.56	-108.83
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=C2NN=C3)C1	REAL300005854791	1	37	-2.0	-113.03	293.83	5.74	-107.29
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCCCCCC2CC2)C1	REAL300005854792	0	54	-2.0	-104.09	428.16	12.52	-91.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCCOCC2)C1	REAL300005854793	0	43	-2.0	-113.91	325.47	7.04	-106.87
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@]23CCO[C@@H]2CCCCC3)C1	REAL300005854794	0	47	-2.0	-116.55	326.38	7.10	-109.45
CC12CCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)(CC1)CO2	REAL300005854795	0	44	-2.0	-113.51	325.44	6.75	-106.76
CC1CCC(C)(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005854796	0	45	-2.0	-115.01	322.85	8.39	-106.62
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)SN=N1	REAL300005854797	0	37	-2.0	-108.74	315.56	6.04	-102.70
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=C2NN=C3)C1	REAL300005854798	0	40	-2.0	-106.88	325.90	6.38	-100.50
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCCC3=CNN=C32)C1	REAL300005854798	1	40	-2.0	-115.42	323.85	6.44	-108.98
COC1=C2C=CSC2=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300005854799	0	40	-2.0	-122.42	342.40	8.21	-114.21
CC1(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2)CC1	REAL300005854800	0	43	-2.0	-106.72	347.00	9.89	-96.83
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C1	REAL300005854801	0	48	-2.0	-118.38	374.63	8.69	-109.69
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854802	0	37	-2.0	-117.11	311.24	6.61	-110.50
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854803	0	38	-2.0	-105.42	323.71	7.43	-97.99
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C3C(=C2)CCS3(=O)=O)C1	REAL300005854804	0	40	-2.0	-123.40	339.19	5.33	-118.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC(C3CCC3)=C2)C1	REAL300005854805	0	39	-2.0	-119.07	320.52	8.25	-110.82
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NOC=C2C2=CC=CC=C2)C1	REAL300005854806	0	39	-2.0	-113.30	334.14	8.98	-104.32
CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005854807	0	39	-2.0	-101.95	331.87	8.96	-92.99
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)COCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300005854808	0	43	-2.0	-106.50	379.27	9.90	-96.60
CC1(C)C(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300005854809	0	45	-2.0	-104.26	348.34	9.11	-95.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(Cl)C=C3S2)C1	REAL300005854810	0	36	-2.0	-114.36	328.14	9.35	-105.01
COC1=CC=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=C1	REAL300005854811	0	44	-2.0	-128.34	367.89	8.44	-119.90
COC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300005854812	0	40	-2.0	-102.15	344.79	8.43	-93.72
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=CC(Cl)=C1	REAL300005854813	0	41	-2.0	-114.43	351.81	7.75	-106.68
CC1(C)CC2(CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2)C1	REAL300005854814	0	46	-2.0	-106.09	354.28	9.48	-96.61
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=CC=CC=C3)C=N2)C1	REAL300005854815	0	42	-2.0	-112.52	349.17	9.84	-102.68
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CN(CC3CCCO3)N=N2)C1	REAL300005854816	0	43	-2.0	-118.11	356.40	5.39	-112.72
C[C@@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)C1	REAL300005854817	0	48	-2.0	-104.67	360.81	9.34	-95.33
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=N1	REAL300005854818	0	40	-2.0	-119.67	334.99	3.31	-116.36
CC(C)CC(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300005854819	0	47	-2.0	-106.49	354.25	8.93	-97.56
CC1(C)C2CCC(C2)C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854820	0	46	-2.0	-106.32	332.81	9.07	-97.25
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN3C=CC(C(F)(F)F)=NC3=N2)C1	REAL300005854821	0	37	-2.0	-129.49	333.85	9.94	-119.55
COCC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C1	REAL300005854822	0	52	-2.0	-122.61	402.52	7.49	-115.12
COC1=CC=CC(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854823	0	40	-2.0	-123.85	327.78	7.54	-116.31
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854824	0	42	-2.0	-107.11	354.28	9.79	-97.32
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3=CC=CS3)CC2)C1	REAL300005854825	0	37	-2.0	-114.85	310.90	8.45	-106.40
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854826	0	52	-2.0	-105.23	404.44	9.82	-95.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300005854827	0	52	-2.0	-106.89	423.70	13.31	-93.58
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(C3CCOCC3)CC2)C1	REAL300005854828	0	44	-2.0	-114.80	334.54	7.41	-107.39
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC2CCC(C1)S2	REAL300005854830	0	44	-2.0	-116.61	311.51	8.31	-108.30
CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC2CCC(C1)S2(=O)=O	REAL300005854831	0	46	-2.0	-117.68	334.30	4.38	-113.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)C1	REAL300005854832	0	37	-2.0	-99.74	315.02	5.70	-94.04
CC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C2=CC=CS2)=NO1	REAL300005854833	0	39	-2.0	-105.92	353.77	8.62	-97.30
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300005854834	0	40	-2.0	-102.32	365.97	7.95	-94.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(O)C2=CC=CC3=C2OCC3)C1	REAL300005854835	0	42	-2.0	-109.50	337.89	6.39	-103.11
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC(O)C2CCCC2)C1	REAL300005854836	0	43	-2.0	-106.50	341.22	6.43	-100.07
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NN(CC(F)(F)F)C=C2)C1	REAL300005854837	0	36	-2.0	-119.58	319.98	7.07	-112.51
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)C1	REAL300005854838	0	44	-2.0	-108.95	372.45	9.37	-99.58
CC1(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300005854839	0	43	-2.0	-117.78	331.19	8.23	-109.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=N2)C1	REAL300005854840	0	38	-2.0	-123.63	315.93	8.79	-114.84
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2CC(F)(F)C2)C1	REAL300005854841	0	39	-2.0	-104.50	329.04	8.52	-95.98
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2COC3=CC(Cl)=CC=C3C2)C1	REAL300005854842	0	41	-2.0	-113.36	346.57	8.77	-104.59
CC1(C)COCC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005854843	0	44	-2.0	-117.28	341.88	6.77	-110.51
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300005854844	0	43	-2.0	-116.26	326.48	6.71	-109.55
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCCC(F)(F)F)C1	REAL300005854845	0	38	-2.0	-103.64	327.99	8.19	-95.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](OC(F)F)C2)C1	REAL300005854846	0	37	-2.0	-106.93	317.37	6.06	-100.87
CC(C)(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300005854847	0	44	-2.0	-124.29	335.40	8.89	-115.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=CC(N3C=NC=N3)=N2)C1	REAL300005854848	0	38	-2.0	-120.13	321.63	10.05	-110.08
COC1=CC=CC=C1C1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854849	0	43	-2.0	-120.49	365.80	8.08	-112.41
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3N(CCNS3(=O)=O)N=C2)C1	REAL300005854850	0	39	-2.0	-135.91	333.42	0.57	-135.34
CC(C)(C)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854851	0	42	-2.0	-112.66	322.24	7.18	-105.48
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2CCC[C@H]2C2CC2)C1	REAL300005854852	0	43	-2.0	-106.80	337.53	9.26	-97.54
CC1=NC2=C(CCCC2CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005854853	0	45	-2.0	-123.95	353.69	7.29	-116.66
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C2=CN=CC=C12	REAL300005854854	0	42	-2.0	-123.96	343.72	7.31	-116.65
CCCCCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854855	0	51	-2.0	-106.39	413.44	12.25	-94.14
CCCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854856	0	41	-2.0	-102.94	350.59	7.55	-95.39
CC(C)(C)OCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854857	0	45	-2.0	-105.24	376.81	6.43	-98.81
CCC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300005854858	0	35	-2.0	-113.48	308.55	6.73	-106.75
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=NNC=C2C2CC2)C1	REAL300005854859	0	37	-2.0	-124.67	303.15	6.65	-118.02
COC1=CC(F)=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=C1	REAL300005854860	0	44	-2.0	-128.08	369.69	8.93	-119.15
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3CC3CC2)C1	REAL300005854861	0	43	-2.0	-117.19	313.99	8.74	-108.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CC2CCC=CCC2)C1	REAL300005854862	0	43	-2.0	-103.49	331.51	9.15	-94.34
CC(=O)N1CSC[C@@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854863	0	38	-2.0	-113.15	318.43	6.67	-106.48
CC1(C)CCC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300005854864	0	43	-2.0	-105.65	333.99	8.63	-97.02
COCC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCO1	REAL300005854865	0	44	-2.0	-112.26	334.13	6.55	-105.71
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300005854866	0	39	-2.0	-110.26	331.05	8.84	-101.42
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)SC2=CC=C1	REAL300005854867	0	44	-2.0	-121.44	365.75	8.32	-113.12
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2C3CC2(C2=CC=NC=C2)CC3)C1	REAL300005854868	0	46	-2.0	-110.40	361.36	9.40	-101.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)C1	REAL300005854869	0	40	-2.0	-105.00	343.97	9.83	-95.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(O)C2CCCCCCC2)C1	REAL300005854870	0	49	-2.0	-104.75	347.89	7.31	-97.44
CC1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2CCCCC2=N1	REAL300005854871	0	45	-2.0	-105.23	356.29	8.67	-96.56
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854872	0	50	-2.0	-121.89	388.77	10.44	-111.45
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C=CC2=CC=CN=C2)C1	REAL300005854873	0	36	-2.0	-108.60	309.06	7.18	-101.42
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC(O)(C3=CC=CC=C3)C2)C1	REAL300005854874	0	47	-2.0	-107.24	371.62	7.52	-99.72
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854875	0	47	-2.0	-117.65	375.18	7.08	-110.57
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854876	0	51	-2.0	-117.59	408.59	6.13	-111.46
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300005854877	0	44	-2.0	-117.48	353.06	6.20	-111.28
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1C	REAL300005854878	0	47	-2.0	-105.79	375.80	6.60	-99.19
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854879	0	53	-2.0	-112.93	405.15	8.06	-104.87
CN1N=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL300005854880	0	43	-2.0	-111.97	361.82	9.08	-102.89
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854881	0	47	-2.0	-109.18	370.81	7.10	-102.08
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C(C)C)O1	REAL300005854882	0	48	-2.0	-117.97	381.34	9.98	-107.99
COC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=N2)C=C1	REAL300005854883	0	43	-2.0	-114.57	364.58	7.01	-107.56
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O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3CC3)O2)C1	REAL300005854885	0	37	-2.0	-118.33	309.26	8.14	-110.19
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CC(C)CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854891	0	41	-2.0	-103.36	345.87	7.25	-96.11
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CC(C)(C)CC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854894	0	44	-2.0	-103.90	362.59	7.80	-96.10
CC1CC2CC2CC1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854895	0	43	-2.0	-112.84	325.79	9.07	-103.77
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COC12CCC(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)(CC1)CC2	REAL300005854897	0	47	-2.0	-104.55	343.81	7.02	-97.53
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854898	0	50	-2.0	-106.16	396.39	7.88	-98.28
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CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854906	0	38	-2.0	-109.38	332.02	8.68	-100.70
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COC1=CC(=O)NC=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854908	0	37	-2.0	-118.99	313.55	3.95	-115.04
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COC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCCCC1	REAL300005854913	0	46	-2.0	-116.50	315.36	7.70	-108.80
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CC(C)(C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C(F)C1=CC=CC=C1	REAL300005854920	0	45	-2.0	-113.87	345.71	9.58	-104.29
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CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300005854922	0	42	-2.0	-105.31	351.70	9.26	-96.05
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CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C(C)C)N1	REAL300005854931	0	49	-2.0	-112.26	388.81	9.09	-103.17
CCCOC1=CC=C2NC=C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300005854932	0	50	-2.0	-120.74	402.39	9.49	-111.25
CC1=NC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2CCCCN12	REAL300005854933	0	43	-2.0	-120.65	342.05	8.91	-111.74
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CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CN1	REAL300005854941	0	40	-2.0	-122.51	321.65	7.33	-115.18
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854942	0	41	-2.0	-130.13	342.59	7.80	-122.33
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CC1=CC=CN2N=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C12	REAL300005854946	0	39	-2.0	-116.95	329.81	8.32	-108.63
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854947	0	46	-2.0	-123.34	363.12	10.06	-113.28
CC1=CC2=CC=NC=C2C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854948	0	41	-2.0	-126.19	336.68	8.60	-117.59
CC(C)(C)OCCOCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854949	0	49	-2.0	-105.32	390.67	6.89	-98.43
CC(C)C1CCC2=C(C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)S2)C1	REAL300005854950	0	49	-2.0	-116.63	383.66	10.81	-105.82
CN1N=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300005854951	0	38	-2.0	-113.44	318.81	5.51	-107.93
CCOCCOCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854952	0	43	-2.0	-105.14	356.37	5.74	-99.40
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854953	0	43	-2.0	-114.09	359.22	9.28	-104.81
CC1(OCC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300005854954	0	44	-2.0	-114.58	339.22	6.56	-108.02
CC1=CC=CN2C(CC(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CN=C12	REAL300005854955	0	42	-2.0	-111.25	352.65	9.40	-101.85
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CC1=CSC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005854964	0	36	-2.0	-117.06	309.45	8.20	-108.86
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854965	0	46	-2.0	-110.66	390.78	9.94	-100.72
CN1C=C(C2(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)CCCO2)C=N1	REAL300005854966	0	44	-2.0	-108.38	352.58	6.35	-102.03
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CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005854969	0	43	-2.0	-104.15	370.74	10.49	-93.66
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300005854970	0	43	-2.0	-105.01	368.54	10.46	-94.55
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CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300005854972	0	47	-2.0	-107.35	385.53	9.93	-97.42
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300005854973	0	50	-2.0	-107.42	404.31	10.60	-96.82
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CCC(F)(F)C(C)(C)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855063	0	41	-2.0	-117.27	313.80	7.56	-109.71
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CCC(C)(C)CCCC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855072	0	47	-2.0	-104.25	358.50	9.24	-95.01
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CC1(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CCCNS1(=O)=O	REAL300005855341	0	41	-2.0	-112.96	305.84	2.13	-110.83
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CCOC1=C2C=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)SC2=NC=C1	REAL300005855358	0	42	-2.0	-122.65	357.67	7.21	-115.44
CC1(C)CCOC1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855359	0	43	-2.0	-107.20	336.55	7.03	-100.17
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CC1=NC=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855369	0	37	-2.0	-111.50	309.45	6.69	-104.81
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CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300005855719	0	43	-2.0	-109.84	355.29	8.73	-101.11
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CC(C)(C)C1=CN=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005855721	0	44	-2.0	-105.37	351.86	7.83	-97.54
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COC1CC(CC(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300005855723	0	46	-2.0	-117.67	355.44	7.60	-110.07
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CC(C)(C)C1=CC=NC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=NN21	REAL300005855725	0	47	-2.0	-130.65	372.51	8.93	-121.72
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CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855730	0	51	-2.0	-110.25	338.81	9.40	-100.85
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CC(CC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855975	0	41	-2.0	-104.32	335.92	7.76	-96.56
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CC1=CC=CC(C(O)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005855978	0	40	-2.0	-103.02	329.06	6.84	-96.18
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2(CC3=CC=C(O)C=C3)CC2)C1	REAL300005855979	0	44	-2.0	-117.53	355.76	7.19	-110.34
CC(C)(CC1=NNN=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855980	0	41	-2.0	-105.38	323.16	4.96	-100.42
CC(C)(CC1=CNN=N1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855980	1	41	-2.0	-109.85	323.16	5.04	-104.81
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855981	0	51	-2.0	-103.98	410.17	7.32	-96.66
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=C(CCCC3=O)N2)C1	REAL300005855982	0	40	-2.0	-120.02	325.11	7.32	-112.70
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=COC(CN3C=CC=N3)=C2)C1	REAL300005855983	0	40	-2.0	-110.27	344.93	7.32	-102.95
COC1=CC=C(Cl)C(F)=C1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855984	0	37	-2.0	-118.54	330.70	7.54	-111.00
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C(O)CC2=CC=CC=C2)C1	REAL300005855985	0	40	-2.0	-104.55	332.92	6.93	-97.62
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3NCCCN3N=C2)C1	REAL300005855986	0	39	-2.0	-122.05	314.84	4.88	-117.17
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CNC(C3=CC=CC=C3)=C2)C1	REAL300005855987	0	41	-2.0	-121.12	336.72	8.95	-112.17
CC1CCCC(O)(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005855988	0	46	-2.0	-102.41	332.61	6.33	-96.08
CC(C)(C)C1CCC(C(O)C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300005855989	0	55	-2.0	-105.88	393.11	8.31	-97.57
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC(=O)C2=CC=C(Cl)C=C2)C1	REAL300005855990	0	41	-2.0	-105.55	363.72	9.61	-95.94
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005855991	0	47	-2.0	-117.09	380.86	5.36	-111.73
CCOC1=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=CS1	REAL300005855992	0	37	-2.0	-123.03	318.02	6.94	-116.09
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=C3NC=CC3=CC(F)=C2)C1	REAL300005855993	0	37	-2.0	-106.79	320.05	7.56	-99.23
CCC1=NNC(CC)=C1CC(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005855994	0	45	-2.0	-106.27	366.95	7.45	-98.82
CN(C)C1=NC2=C(C(=O)N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC=C2O1	REAL300005855995	0	43	-2.0	-132.97	356.11	6.19	-126.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)C1	REAL300005855996	0	46	-2.0	-107.26	376.88	9.10	-98.16
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300005855997	0	40	-2.0	-105.05	349.93	10.31	-94.74
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300005856000	0	40	-2.0	-106.42	333.25	9.79	-96.63
CCC(=CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005856001	0	43	-2.0	-108.11	337.79	9.58	-98.53
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)C1	REAL300005856002	0	40	-2.0	-116.21	348.58	10.45	-105.76
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2CCC3=NN=CN3C2)C1	REAL300005856003	0	39	-2.0	-115.43	314.40	8.53	-106.90
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300005856004	0	40	-2.0	-106.42	333.25	9.79	-96.63
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300005856005	0	41	-2.0	-116.95	332.92	5.35	-111.60
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=C(O)C=C3N2)C1	REAL300005856006	0	38	-2.0	-116.35	318.73	4.97	-111.38
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300005856007	0	40	-2.0	-115.11	327.31	9.85	-105.26
CC1C(C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300005856008	0	43	-2.0	-120.57	332.24	10.15	-110.42
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300005856009	0	46	-2.0	-119.92	364.74	11.06	-108.86
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)C1	REAL300005856011	0	40	-2.0	-124.22	331.43	9.82	-114.40
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)C1	REAL300005856012	0	41	-2.0	-113.39	337.83	6.96	-106.43
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C23CC(C2)CN3C2CC2)C1	REAL300005856013	1	43	-2.0	-118.95	330.20	8.07	-110.88
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)C1	REAL300005856014	0	39	-2.0	-111.51	318.81	9.45	-102.06
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300005856015	0	44	-2.0	-123.09	356.78	9.13	-113.96
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300005856016	0	40	-2.0	-103.07	363.97	10.70	-92.37
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)C1	REAL300005856017	0	40	-2.0	-104.98	354.49	10.42	-94.56
CCC1(C(=O)[O-])CCCN1C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300005856888	1	54	-2.0	-112.63	412.20	8.31	-104.32
CCC1(C(=O)[O-])CCCN1C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300005857438	1	46	-2.0	-121.56	376.81	11.25	-110.31
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005857799	1	47	-2.0	-102.40	379.42	5.49	-96.91
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300005857800	1	38	-2.0	-101.51	325.80	2.95	-98.56
CCC1(C(=O)[O-])CCCN1C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005858299	1	45	-2.0	-125.49	367.14	6.55	-118.94
CCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300005858491	1	47	-2.0	-137.84	377.07	6.71	-131.13
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005859265	1	37	-2.0	-128.90	305.80	8.84	-120.06
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005859341	0	40	-2.0	-111.09	330.42	4.77	-106.32
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005859359	1	39	-2.0	-122.29	302.19	4.96	-117.33
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005859407	0	50	-2.0	-145.04	392.11	10.33	-134.71
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005859408	0	50	-2.0	-143.82	392.02	10.34	-133.48
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300005859460	0	44	-2.0	-139.96	359.20	9.44	-130.52
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005859465	0	41	-2.0	-141.76	338.26	8.47	-133.29
CCC1(C(=O)[O-])CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005859483	1	39	-2.0	-145.12	310.48	9.16	-135.96
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005859501	0	41	-2.0	-99.95	344.95	4.71	-95.24
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300005859541	0	33	-2.0	-109.34	288.01	5.11	-104.23
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300005859589	0	44	-2.0	-149.11	356.59	9.06	-140.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2(CC)C(=O)[O-])=N1	REAL300005859590	0	47	-2.0	-147.72	370.57	10.00	-137.72
CCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300005859632	1	47	-2.0	-136.58	377.26	6.73	-129.85
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005859667	0	34	-2.0	-104.15	288.32	6.61	-97.54
CCC1(C(=O)[O-])CCCN1C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300005859673	1	37	-2.0	-106.62	301.84	2.43	-104.19
CCOC1=CC(C(=O)N2CCCC2(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005859751	1	41	-2.0	-110.46	336.04	8.26	-102.20
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005859754	0	44	-2.0	-148.41	350.93	9.54	-138.87
CCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300005859759	0	45	-2.0	-143.38	361.31	7.71	-135.67
CCC1(C(=O)[O-])CCCN1C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300005859770	1	38	-2.0	-110.42	317.32	1.92	-108.50
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005859876	0	37	-2.0	-96.88	308.40	6.25	-90.63
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005859876	1	37	-2.0	-96.87	308.47	6.26	-90.61
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(COC)[N-]C1=O	REAL300005860087	1	39	-2.0	-125.51	312.39	2.36	-123.15
CCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005860121	1	42	-2.0	-122.82	317.94	5.51	-117.31
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005860316	0	34	-2.0	-114.82	292.73	7.78	-107.04
CC1=C(CCC(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005863260	1	52	-2.0	-99.10	421.00	6.80	-92.30
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005863620	0	42	-2.0	-97.34	363.36	4.59	-92.75
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005863933	0	42	-2.0	-98.38	363.44	4.83	-93.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300005863982	1	44	-2.0	-104.18	385.78	9.75	-94.43
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)O1	REAL300005864432	1	45	-2.0	-94.06	388.03	3.16	-90.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)O1	REAL300005864433	1	36	-2.0	-93.89	334.42	0.63	-93.26
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=C1	REAL300005864666	0	46	-2.0	-103.99	397.77	2.83	-101.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005864711	0	39	-2.0	-97.08	341.97	3.93	-93.15
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CC(C(=O)[O-])(C2)C3)=CS1	REAL300005865086	1	43	-2.0	-97.91	376.13	5.03	-92.88
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005865320	0	39	-2.0	-92.24	348.38	3.98	-88.26
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005865326	1	45	-2.0	-103.23	386.11	5.18	-98.05
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005865331	0	45	-2.0	-98.83	384.94	5.61	-93.22
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005865401	1	45	-2.0	-96.93	366.07	5.41	-91.52
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC12CC(C(=O)[O-])(C1)C2	REAL300005866130	0	45	-2.0	-101.66	387.86	6.18	-95.48
O=C([O-])C12CC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)C2	REAL300005866322	1	35	-2.0	-96.64	318.11	7.40	-89.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300005866420	0	38	-2.0	-96.39	343.02	2.95	-93.44
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)C2	REAL300005866450	1	37	-2.0	-95.53	320.83	4.36	-91.17
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=N2)=C1	REAL300005866505	0	48	-2.0	-109.61	402.61	8.00	-101.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300005866506	0	48	-2.0	-108.15	402.55	8.00	-100.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=N1	REAL300005866580	0	42	-2.0	-105.12	370.08	7.10	-98.02
O=C([O-])C12CC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(C1)C2	REAL300005866584	0	39	-2.0	-105.78	348.77	6.15	-99.63
O=C([O-])C12CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)C2	REAL300005866608	1	37	-2.0	-106.81	321.92	7.03	-99.78
O=C([O-])C12CC(CNC(=O)C3=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C3)(C1)C2	REAL300005866627	0	39	-2.0	-85.35	364.24	4.24	-81.11
O=C([O-])C12CC(CNC(=O)C3=CN=C(I)C([O-])=C3)(C1)C2	REAL300005866676	0	31	-2.0	-88.86	303.28	3.98	-84.88
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=N2)=C1	REAL300005866738	0	42	-2.0	-111.99	367.11	6.73	-105.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=N1	REAL300005866739	0	45	-2.0	-110.19	383.60	7.82	-102.37
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005866796	1	45	-2.0	-101.87	386.08	5.18	-96.69
O=C([O-])C12CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)C2	REAL300005866836	0	32	-2.0	-89.89	303.79	5.41	-84.48
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)NC(=O)[N-]C1=O	REAL300005866844	1	35	-2.0	-93.42	309.94	0.49	-92.93
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=CC(Cl)=C1[O-]	REAL300005866948	1	39	-2.0	-94.02	348.63	6.38	-87.64
O=C([O-])C12CC(CNC(=O)C3=NN(C4=CC=CC=C4C(F)(F)F)C=C3[O-])(C1)C2	REAL300005866952	0	42	-2.0	-113.17	372.26	7.52	-105.65
COC1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300005866960	0	43	-2.0	-108.40	371.84	5.38	-103.02
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C3)=CO1	REAL300005866981	1	36	-2.0	-94.18	333.35	0.61	-93.57
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)C2	REAL300005867107	0	35	-2.0	-87.06	317.32	3.50	-83.56
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)C2	REAL300005867107	1	35	-2.0	-87.00	317.39	3.51	-83.49
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]1	REAL300005867373	1	37	-2.0	-94.65	322.67	2.01	-92.64
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)C2	REAL300005867410	1	40	-2.0	-95.64	336.59	4.91	-90.73
O=C([O-])C12CC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300005867666	0	32	-2.0	-93.45	312.18	7.44	-86.01
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005867923	0	40	-2.0	-100.10	346.29	4.50	-95.60
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC(C)=CC=C1NS(C)(=O)=O	REAL300005868877	0	42	-2.0	-108.53	377.02	4.40	-104.13
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300005868877	1	42	-2.0	-108.53	377.02	4.40	-104.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300005869125	1	42	-2.0	-109.77	377.09	4.64	-105.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)O1	REAL300005869509	1	36	-2.0	-88.30	348.05	0.45	-87.85
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300005869725	0	39	-2.0	-108.23	355.63	3.75	-104.48
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005870037	1	43	-2.0	-114.33	389.81	4.86	-109.47
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C([O-])=C1	REAL300005870803	1	36	-2.0	-117.75	322.48	5.41	-112.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005871347	1	32	-2.0	-98.53	300.28	4.68	-93.85
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005871360	1	35	-2.0	-111.41	331.77	7.11	-104.30
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300005871402	0	32	-2.0	-93.09	298.87	2.75	-90.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300005871402	1	32	-2.0	-93.11	298.93	2.76	-90.35
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005871485	0	38	-2.0	-95.95	356.66	2.78	-93.17
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300005871562	1	31	-2.0	-99.31	290.26	2.79	-96.52
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005871675	0	39	-2.0	-121.30	361.24	5.97	-115.33
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005871721	0	37	-2.0	-121.82	335.57	6.73	-115.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)=N1	REAL300005871880	0	45	-2.0	-125.54	389.20	7.69	-117.85
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005872012	0	32	-2.0	-92.29	317.42	5.23	-87.06
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300005872129	0	35	-2.0	-105.56	320.37	3.53	-102.03
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300005872129	1	35	-2.0	-105.59	320.43	3.54	-102.05
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005872167	0	32	-2.0	-95.04	310.08	5.17	-89.87
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC(Cl)=C1[O-]	REAL300005872170	1	39	-2.0	-95.38	362.26	6.20	-89.18
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)=CO1	REAL300005872202	1	36	-2.0	-100.85	347.20	0.41	-100.44
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300005872294	0	40	-2.0	-105.93	358.84	9.09	-96.84
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300005872294	1	40	-2.0	-105.92	358.78	9.10	-96.82
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005872368	0	35	-2.0	-85.62	331.03	3.32	-82.30
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005872368	1	35	-2.0	-85.65	330.97	3.31	-82.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300005872656	0	30	-2.0	-88.14	281.68	3.22	-84.92
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C(=O)[N-]1	REAL300005872691	1	37	-2.0	-95.82	335.35	1.84	-93.98
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005873060	0	32	-2.0	-106.93	325.83	7.14	-99.79
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C2=CC=CO2)NC1=O	REAL300005873361	0	40	-2.0	-99.62	359.18	4.32	-95.30
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300005873361	1	40	-2.0	-99.62	359.18	4.32	-95.30
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300005874788	0	49	-2.0	-95.04	402.91	3.54	-91.50
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300005875036	0	49	-2.0	-95.95	402.99	3.78	-92.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300005875420	1	43	-2.0	-88.55	373.97	-0.42	-88.97
CC1(C)OC2(CNC(=O)C3=CC=CC=C3[N-]S(C)(=O)=O)CC1(C(=O)[O-])C2	REAL300005875636	0	46	-2.0	-94.66	381.52	2.88	-91.78
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300005875948	1	50	-2.0	-95.30	415.69	3.98	-91.32
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005876232	1	52	-2.0	-93.44	406.33	4.37	-89.07
CC1(C)OC2(CNC(=O)C3=CC=C([O-])C(F)=C3)CC1(C(=O)[O-])C2	REAL300005877258	1	39	-2.0	-88.73	327.33	3.80	-84.93
CC1(C)OC2(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC1(C(=O)[O-])C2	REAL300005877271	1	42	-2.0	-94.35	357.66	6.36	-87.99
CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300005877313	0	39	-2.0	-85.33	324.78	1.88	-83.45
CC1(C)OC2(CNC(=O)CCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300005877313	1	39	-2.0	-85.31	324.84	1.89	-83.42
CC1(C)OC2(CNC(=O)C3=CC=C([N-]S(C)(=O)=O)N=C3)CC1(C(=O)[O-])C2	REAL300005877396	0	45	-2.0	-91.93	382.57	1.91	-90.02
CC1(C)OC2(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)CC1(C(=O)[O-])C2	REAL300005877431	1	44	-2.0	-92.06	360.38	3.31	-88.75
CC1(C)OC2(CNC(=O)C3=CN=CC([O-])=C3)CC1(C(=O)[O-])C2	REAL300005877473	1	38	-2.0	-89.14	316.17	1.93	-87.21
CC1(C)OC2(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC1(C(=O)[O-])C2	REAL300005877586	0	46	-2.0	-105.84	388.32	5.10	-100.74
CC1(C)OC2(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC1(C(=O)[O-])C2	REAL300005877632	1	44	-2.0	-105.26	361.47	5.98	-99.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=N1	REAL300005877791	0	52	-2.0	-107.49	416.19	6.83	-100.66
CC1(C)OC2(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300005877923	0	39	-2.0	-85.74	343.34	4.35	-81.39
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)NC(=O)[N-]C1=O	REAL300005877941	1	42	-2.0	-88.70	349.29	-0.56	-89.26
CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300005878040	0	42	-2.0	-91.17	346.28	2.66	-88.51
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300005878040	1	42	-2.0	-91.21	346.34	2.67	-88.54
CC1(C)OC2(CNC(=O)C3=CC=C([O-])C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300005878078	0	39	-2.0	-85.48	337.13	4.30	-81.18
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC(Cl)=C1[O-]	REAL300005878081	1	46	-2.0	-89.91	388.18	5.34	-84.57
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CO1	REAL300005878113	1	43	-2.0	-90.29	373.10	-0.45	-90.74
CC1(C)OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1(C(=O)[O-])C2	REAL300005878279	0	42	-2.0	-82.52	356.87	2.46	-80.06
CC1(C)OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1(C(=O)[O-])C2	REAL300005878279	1	42	-2.0	-82.44	356.94	2.46	-79.98
CC1(C)OC2(CNC(=O)C3=C[N-]N=CC3=O)CC1(C(=O)[O-])C2	REAL300005878567	0	37	-2.0	-82.62	308.39	2.36	-80.26
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(=O)[N-]1	REAL300005878602	1	44	-2.0	-91.28	362.22	0.96	-90.32
CC1(C)OC2(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC1(C(=O)[O-])C2	REAL300005878651	1	47	-2.0	-92.22	376.13	3.86	-88.36
CC1(C)OC2(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC1(C(=O)[O-])C2	REAL300005878971	0	39	-2.0	-91.04	351.73	6.39	-84.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(COCC(=O)[O-])C2)=C1	REAL300005880166	0	48	-2.0	-118.67	399.72	5.26	-113.41
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005880448	0	48	-2.0	-119.79	399.83	5.50	-114.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)O1	REAL300005880880	1	42	-2.0	-95.42	365.34	1.66	-93.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005881130	0	45	-2.0	-118.09	378.36	4.60	-113.49
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(COCC(=O)[O-])C2)=CS1	REAL300005881464	1	49	-2.0	-120.06	410.35	6.21	-113.85
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005881688	0	45	-2.0	-110.26	384.75	4.66	-105.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(COCC(=O)[O-])C1	REAL300005881692	0	51	-2.0	-120.42	421.33	6.29	-114.13
CC1=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005881774	1	51	-2.0	-120.94	410.60	6.03	-114.91
O=C([O-])COCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300005882807	1	38	-2.0	-102.94	320.97	5.66	-97.28
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005882819	1	41	-2.0	-123.10	354.39	6.93	-116.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C=N1	REAL300005882932	0	44	-2.0	-119.64	377.50	3.81	-115.83
O=C([O-])COCC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005882966	1	43	-2.0	-114.98	360.77	5.13	-109.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(COCC(=O)[O-])C2)=N1	REAL300005883119	0	48	-2.0	-127.17	406.05	7.94	-119.23
O=C([O-])COCC1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005883124	0	45	-2.0	-131.75	379.99	7.54	-124.21
O=C([O-])COCC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005883165	1	43	-2.0	-133.18	353.06	8.61	-124.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(COCC(=O)[O-])C3)=N2)=C1	REAL300005883330	0	48	-2.0	-138.00	398.36	8.12	-129.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(COCC(=O)[O-])C2)=N1	REAL300005883331	0	51	-2.0	-129.64	419.28	8.69	-120.95
O=C([O-])COCC1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005883468	0	38	-2.0	-100.40	336.87	6.20	-94.20
COC1=C(C(=O)N2CCCC(COCC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005883485	1	41	-2.0	-100.92	350.07	0.20	-100.72
O=C([O-])COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300005883584	0	41	-2.0	-99.49	340.62	4.89	-94.60
O=C([O-])COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300005883584	1	41	-2.0	-99.49	340.68	4.90	-94.59
O=C([O-])COCC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005883622	0	38	-2.0	-100.54	330.88	6.16	-94.38
CCOC1=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005883626	1	45	-2.0	-104.52	382.66	7.21	-97.31
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(COCC(=O)[O-])C3)=N2)C=C1	REAL300005883636	0	49	-2.0	-132.26	403.10	6.77	-125.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(COCC(=O)[O-])C2)=CO1	REAL300005883659	1	42	-2.0	-97.93	365.53	1.52	-96.41
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005883822	0	41	-2.0	-93.08	348.95	5.07	-88.01
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005883822	1	41	-2.0	-93.07	349.02	5.08	-87.99
COCC1=NC=C(C(=O)N2CCCC(COCC(=O)[O-])C2)C(=O)[N-]1	REAL300005884152	1	43	-2.0	-103.87	355.54	2.60	-101.27
O=C([O-])COCC1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005884201	1	46	-2.0	-114.65	376.63	5.68	-108.97
O=C([O-])COCC1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005884520	0	38	-2.0	-117.94	348.49	7.00	-110.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300005886225	1	46	-2.0	-123.20	396.06	12.67	-110.53
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300005886578	1	47	-2.0	-112.10	396.20	6.11	-105.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)O1	REAL300005886579	1	38	-2.0	-110.58	342.22	3.59	-106.99
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300005887063	1	45	-2.0	-108.75	386.65	8.02	-100.73
CC1=C(CC(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005887257	1	47	-2.0	-110.70	396.59	8.16	-102.54
COC1=CC=C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C([O-])=C1	REAL300005887716	1	38	-2.0	-115.15	323.79	7.45	-107.70
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300005888153	1	34	-2.0	-96.44	294.92	7.21	-89.23
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005888162	1	37	-2.0	-106.90	333.05	9.14	-97.76
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300005888247	0	40	-2.0	-119.76	351.40	5.21	-114.55
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005888272	1	39	-2.0	-107.22	326.18	6.12	-101.10
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300005888322	0	50	-2.0	-119.54	405.16	10.89	-108.65
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300005888323	0	50	-2.0	-116.99	405.82	10.92	-106.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300005888388	0	44	-2.0	-116.97	366.45	10.07	-106.90
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005888393	0	41	-2.0	-111.99	352.07	9.08	-102.91
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005888420	0	39	-2.0	-112.25	328.85	10.51	-101.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(C(=O)[O-])=C3C)=N2)=C1	REAL300005888556	0	44	-2.0	-116.46	370.39	9.59	-106.87
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300005888557	0	47	-2.0	-122.28	377.34	10.53	-111.75
CC1=C(CC(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005888614	1	47	-2.0	-108.95	396.77	8.16	-100.79
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005888667	0	34	-2.0	-95.69	316.21	8.03	-87.66
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL300005888751	0	37	-2.0	-107.02	320.90	6.73	-100.29
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL300005888751	1	37	-2.0	-106.98	320.96	6.75	-100.23
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005888780	0	34	-2.0	-93.97	304.72	7.71	-86.26
CCOC1=CC(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)=CC(Cl)=C1[O-]	REAL300005888783	1	41	-2.0	-99.97	361.06	9.01	-90.96
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=CC=CC(C(=O)[O-])=C3C)=N2)C=C1	REAL300005888789	0	45	-2.0	-117.12	375.10	8.30	-108.82
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)=CO1	REAL300005888804	1	38	-2.0	-95.98	342.91	3.28	-92.70
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005888940	0	37	-2.0	-97.85	324.07	7.00	-90.85
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005888940	1	37	-2.0	-97.81	324.14	7.01	-90.80
COCC1=NC=C(C(=O)N(C)C2=CC=CC(C(=O)[O-])=C2C)C(=O)[N-]1	REAL300005889195	1	39	-2.0	-105.26	328.27	3.72	-101.54
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005889237	1	42	-2.0	-104.45	357.40	7.46	-96.99
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005889478	0	34	-2.0	-103.35	327.12	9.21	-94.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=C1	REAL300005890759	0	40	-2.0	-106.93	364.13	2.81	-104.12
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005891044	0	40	-2.0	-107.98	364.20	3.03	-104.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)O1	REAL300005891483	1	34	-2.0	-91.07	335.99	-1.16	-92.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005891736	0	37	-2.0	-106.42	342.74	2.13	-104.29
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=NC=CS2)=CS1	REAL300005892073	1	41	-2.0	-102.78	381.76	3.75	-99.03
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005892297	0	37	-2.0	-99.43	349.15	2.19	-97.24
CC1=C(CC(=O)NC(CC(=O)[O-])C2=NC=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005892299	1	43	-2.0	-109.51	392.61	3.95	-105.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1=NC=CS1	REAL300005892302	0	43	-2.0	-108.57	385.70	3.82	-104.75
CC1=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005892385	1	43	-2.0	-101.86	366.80	3.65	-98.21
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NC=CS1	REAL300005893426	1	30	-2.0	-93.74	289.37	3.10	-90.64
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NC=CS1	REAL300005893438	1	33	-2.0	-108.31	319.69	5.62	-102.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C=N1	REAL300005893551	0	36	-2.0	-105.22	348.64	1.69	-103.53
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=NC=CS1	REAL300005893585	1	35	-2.0	-101.34	322.49	2.64	-98.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=N1	REAL300005893736	0	40	-2.0	-123.61	375.25	5.85	-117.76
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NC=CS1	REAL300005893741	0	37	-2.0	-118.41	349.55	4.34	-114.07
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NC=CS1	REAL300005893782	1	35	-2.0	-127.08	327.60	5.59	-121.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=NC=CS3)=N2)=C1	REAL300005893946	0	40	-2.0	-130.84	372.79	5.31	-125.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=N1	REAL300005893947	0	43	-2.0	-129.37	389.71	6.37	-123.00
CC1=C(CC(=O)NC(CC(=O)[O-])C2=NC=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005894024	1	43	-2.0	-107.45	391.89	3.89	-103.56
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NC=CS1	REAL300005894086	0	30	-2.0	-90.74	305.37	3.65	-87.09
COC1=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)NC(=O)[N-]C1=O	REAL300005894103	1	33	-2.0	-104.14	308.89	-0.75	-104.89
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL300005894202	0	33	-2.0	-98.41	312.49	2.31	-96.10
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL300005894202	1	33	-2.0	-98.42	312.54	2.33	-96.09
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NC=CS1	REAL300005894240	0	30	-2.0	-91.25	299.16	3.59	-87.66
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=CC(Cl)=C1[O-]	REAL300005894244	1	37	-2.0	-95.47	350.21	4.63	-90.84
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=NC=CS3)=N2)C=C1	REAL300005894254	0	41	-2.0	-120.59	372.61	3.58	-117.01
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=NC=CS2)=CO1	REAL300005894278	1	34	-2.0	-96.47	335.13	-1.18	-97.65
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL300005894441	0	33	-2.0	-91.13	323.00	2.09	-89.04
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL300005894441	1	33	-2.0	-91.09	323.07	2.09	-89.00
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=NC=CS2)C(=O)[N-]1	REAL300005894771	1	35	-2.0	-100.48	324.33	0.29	-100.19
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=NC=CS1	REAL300005894819	1	38	-2.0	-101.45	338.24	3.18	-98.27
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NC=CS1	REAL300005895138	0	30	-2.0	-104.72	312.95	5.61	-99.11
CC1=NN(C)C=C1CC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005896296	0	47	-2.0	-120.22	397.70	4.52	-115.70
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CN(C)N=C1C)C(=O)[O-]	REAL300005896540	0	47	-2.0	-121.00	397.72	4.74	-116.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])O1	REAL300005896928	1	41	-2.0	-97.23	380.10	0.48	-96.75
CC1=NN(C)C=C1CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005897151	0	44	-2.0	-120.24	388.11	3.80	-116.44
CC1=NN(C)C=C1CC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300005897466	1	48	-2.0	-116.19	422.06	4.90	-111.29
CC1=NN(C)C=C1CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300005897665	0	44	-2.0	-111.82	382.71	3.92	-107.90
CC1=NN(C)C=C1CC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300005897750	1	50	-2.0	-111.99	412.27	5.29	-106.70
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300005898758	1	37	-2.0	-103.76	322.11	4.79	-98.97
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300005898771	1	40	-2.0	-121.67	352.44	7.32	-114.35
CC1=NN(C)C=C1CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300005898812	0	37	-2.0	-99.68	331.12	2.78	-96.90
CC1=NN(C)C=C1CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300005898812	1	37	-2.0	-99.64	331.18	2.79	-96.85
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300005898899	0	43	-2.0	-105.45	388.91	2.83	-102.62
CC1=NN(C)C=C1CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300005898934	1	42	-2.0	-110.87	361.93	4.03	-106.84
CC1=NN(C)C=C1CC(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300005898975	1	36	-2.0	-107.49	322.07	2.82	-104.67
CC1=NN(C)C=C1CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300005899129	1	42	-2.0	-137.51	358.52	7.27	-130.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])=N1	REAL300005899289	0	50	-2.0	-137.91	429.51	7.73	-130.18
CC1=NN(C)C=C1CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005899421	0	37	-2.0	-100.84	337.86	5.42	-95.42
CC1=NN(C)C=C1CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300005899533	0	40	-2.0	-108.88	351.91	3.63	-105.25
CC1=NN(C)C=C1CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300005899533	1	40	-2.0	-108.90	351.97	3.65	-105.25
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300005899570	0	37	-2.0	-101.69	331.90	5.27	-96.42
CCOC1=CC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005899573	1	44	-2.0	-106.06	382.71	6.38	-99.68
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CN(C)N=C3C)C(=O)[O-])=N2)C=C1	REAL300005899581	0	48	-2.0	-134.35	417.97	5.26	-129.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])=CO1	REAL300005899605	1	41	-2.0	-106.64	378.75	0.50	-106.14
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300005899769	0	40	-2.0	-92.89	363.22	3.41	-89.48
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300005899769	1	40	-2.0	-92.89	363.29	3.42	-89.47
CC1=NN(C)C=C1CC(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300005900059	0	35	-2.0	-100.00	314.07	3.33	-96.67
COCC1=NC=C(C(=O)NC(CC2=CN(C)N=C2C)C(=O)[O-])C(=O)[N-]1	REAL300005900092	1	42	-2.0	-109.85	365.67	1.62	-108.23
CC1=NN(C)C=C1CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300005900142	1	45	-2.0	-110.85	382.41	4.85	-106.00
CC1=NN(C)C=C1CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300005900451	0	37	-2.0	-118.24	357.62	7.28	-110.96
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300005901726	0	37	-2.0	-110.18	341.36	3.91	-106.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005902036	0	37	-2.0	-111.07	341.44	4.13	-106.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300005902084	1	39	-2.0	-119.13	362.58	9.08	-110.05
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CC=C1	REAL300005902463	1	29	-2.0	-121.72	283.04	5.42	-116.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300005902525	1	40	-2.0	-92.55	366.02	2.46	-90.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300005902526	1	31	-2.0	-91.67	312.41	-0.07	-91.74
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005902798	0	34	-2.0	-109.37	319.73	3.30	-106.07
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300005903156	1	38	-2.0	-105.56	354.15	4.33	-101.23
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300005903349	1	36	-2.0	-126.09	328.90	6.39	-119.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005903396	0	34	-2.0	-102.08	325.54	3.34	-98.74
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300005903402	0	40	-2.0	-111.70	362.69	4.99	-106.71
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300005903834	1	33	-2.0	-127.18	310.30	4.80	-122.38
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300005903858	0	29	-2.0	-116.81	304.33	6.05	-110.76
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300005903928	1	35	-2.0	-121.65	336.08	5.52	-116.13
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005904524	1	30	-2.0	-111.38	295.29	6.74	-104.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005904631	0	33	-2.0	-98.54	320.77	2.34	-96.20
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)=C1	REAL300005904723	0	43	-2.0	-126.32	380.61	7.30	-119.02
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C=C1	REAL300005904724	0	43	-2.0	-124.76	380.54	7.30	-117.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300005904814	0	37	-2.0	-121.27	347.84	6.47	-114.80
O=C([O-])C(CC(F)(F)F)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005904819	0	34	-2.0	-122.14	326.76	5.45	-116.69
O=C([O-])C(CC(F)(F)F)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005904850	1	32	-2.0	-126.41	299.09	6.37	-120.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)=C1	REAL300005905005	0	37	-2.0	-129.41	344.86	6.10	-123.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300005905006	0	40	-2.0	-127.82	361.62	7.11	-120.71
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005905127	0	27	-2.0	-91.77	280.95	4.77	-87.00
COC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005905139	1	30	-2.0	-93.65	287.69	-0.14	-93.79
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005905267	0	27	-2.0	-93.45	275.58	4.64	-88.81
CCOC1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005905270	1	34	-2.0	-96.64	325.79	5.75	-90.89
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C=C1	REAL300005905282	0	38	-2.0	-124.54	349.59	4.75	-119.79
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CO1	REAL300005905305	1	31	-2.0	-97.25	311.55	-0.09	-97.34
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005905461	0	30	-2.0	-85.88	295.32	2.79	-83.09
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005905461	1	30	-2.0	-85.85	295.39	2.80	-83.05
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL300005905634	0	29	-2.0	-118.98	304.33	6.04	-112.94
COCC1=NC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)[N-]1	REAL300005905782	1	32	-2.0	-102.65	300.61	1.33	-101.32
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CN=C1	REAL300005905891	1	28	-2.0	-117.81	277.99	3.63	-114.18
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005906125	0	27	-2.0	-107.49	290.18	6.73	-100.76
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)CCN1C=CN=N1	REAL300005906219	1	31	-2.0	-121.82	299.94	3.54	-118.28
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300005906220	0	32	-2.0	-115.42	300.89	6.55	-108.87
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)CCN1C=CC=N1	REAL300005906221	1	32	-2.0	-122.03	307.58	4.22	-117.81
CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005906428	1	35	-2.0	-107.99	324.36	3.79	-104.20
CC1=CC(C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=CS1	REAL300005906571	1	29	-2.0	-120.13	294.44	5.75	-114.38
CN1C=C(C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C=N1	REAL300005906572	1	29	-2.0	-119.89	285.02	3.90	-115.99
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300005907335	0	45	-2.0	-117.09	378.99	3.30	-113.79
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005907644	0	45	-2.0	-118.11	379.31	3.47	-114.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300005907691	1	47	-2.0	-114.94	402.75	8.42	-106.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005908127	1	48	-2.0	-97.09	405.49	1.73	-95.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300005908128	1	39	-2.0	-95.70	350.04	-0.67	-96.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005908401	0	42	-2.0	-116.33	357.60	2.62	-113.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCOC2)C(=O)[O-])=CS1	REAL300005908752	1	46	-2.0	-117.70	391.78	3.72	-113.98
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005908990	0	42	-2.0	-107.13	362.12	2.33	-104.80
CC1=C(CC(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005908993	1	48	-2.0	-114.13	403.20	3.96	-110.17
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300005908996	0	48	-2.0	-118.76	400.81	4.25	-114.51
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005909077	1	48	-2.0	-110.24	383.31	4.11	-106.13
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005910110	1	38	-2.0	-119.02	333.74	6.09	-112.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300005910218	0	41	-2.0	-103.94	358.65	1.65	-102.29
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005910252	1	40	-2.0	-110.39	336.52	3.04	-107.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)=C1	REAL300005910311	0	51	-2.0	-132.48	419.97	6.75	-125.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C=C1	REAL300005910312	0	51	-2.0	-131.59	418.18	6.69	-124.90
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300005910403	0	45	-2.0	-127.58	380.28	5.76	-121.82
O=C([O-])C(CC1CCOC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005910408	0	42	-2.0	-128.76	365.88	4.95	-123.81
O=C([O-])C(CC1CCOC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005910440	1	40	-2.0	-131.48	338.11	5.75	-125.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)=C1	REAL300005910599	0	45	-2.0	-136.15	382.98	5.36	-130.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300005910600	0	48	-2.0	-134.87	399.25	6.49	-128.38
CC1=C(CC(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005910671	1	48	-2.0	-112.63	403.22	3.85	-108.78
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005910723	0	35	-2.0	-97.06	316.20	4.61	-92.45
COC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005910736	1	38	-2.0	-97.49	326.64	-0.82	-98.31
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005910865	0	35	-2.0	-97.36	314.29	4.10	-93.26
CCOC1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005910868	1	42	-2.0	-102.08	361.05	5.58	-96.50
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C=C1	REAL300005910880	0	46	-2.0	-131.15	387.47	4.07	-127.08
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=CO1	REAL300005910903	1	39	-2.0	-101.28	344.81	-1.05	-102.33
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005911059	0	38	-2.0	-90.32	331.06	1.85	-88.47
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005911059	1	38	-2.0	-90.26	331.13	1.86	-88.40
COCC1=NC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]1	REAL300005911376	1	40	-2.0	-108.91	338.38	0.70	-108.21
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005911420	1	43	-2.0	-109.49	352.15	3.61	-105.88
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005911722	0	35	-2.0	-113.14	325.92	5.76	-107.38
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005912021	0	43	-2.0	-112.92	357.62	2.84	-110.08
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=N[N-]C4=CC=CC=C4C3=O)CC1)O2	REAL300005912890	0	47	-2.0	-109.93	369.33	7.98	-101.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)O1	REAL300005913442	1	47	-2.0	-98.81	385.23	1.76	-97.05
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC1)O2	REAL300005914824	1	43	-2.0	-99.95	344.48	5.90	-94.05
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC1)O2	REAL300005914839	1	46	-2.0	-117.65	375.51	7.16	-110.49
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCC3=N[N-]N=N3)CC1)O2	REAL300005914900	0	43	-2.0	-95.59	341.47	4.26	-91.33
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCC3=NN=N[N-]3)CC1)O2	REAL300005914900	1	43	-2.0	-95.62	341.53	4.27	-91.35
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC1)O2	REAL300005914986	1	48	-2.0	-104.27	380.70	5.27	-99.00
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CN=CC([O-])=C3)CC1)O2	REAL300005915012	1	42	-2.0	-103.74	330.53	3.85	-99.89
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC1)O2	REAL300005915140	1	48	-2.0	-123.71	372.99	8.70	-115.01
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC1)O2	REAL300005915404	0	43	-2.0	-96.72	357.75	6.36	-90.36
COC1=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005915423	1	46	-2.0	-97.38	370.42	0.33	-97.05
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC3=N[N-]N=N3)CC1)O2	REAL300005915512	0	46	-2.0	-100.21	361.75	5.04	-95.17
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC3=NN=N[N-]3)CC1)O2	REAL300005915512	1	46	-2.0	-100.23	361.81	5.05	-95.18
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC1)O2	REAL300005915544	0	43	-2.0	-97.35	354.28	6.39	-90.96
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)=CO1	REAL300005915574	1	47	-2.0	-95.99	386.62	1.68	-94.31
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1)O2	REAL300005915698	0	46	-2.0	-90.25	369.14	5.17	-85.08
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1)O2	REAL300005915698	1	46	-2.0	-90.15	369.21	5.17	-84.98
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=C[N-]N=CC3=O)CC1)O2	REAL300005915918	0	41	-2.0	-93.62	323.32	4.27	-89.35
COCC1=NC=C(C(=O)N2CCC3(CC2)OC2(C)CC3(C(=O)[O-])C2)C(=O)[N-]1	REAL300005915947	1	48	-2.0	-103.55	382.79	2.86	-100.69
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC1)O2	REAL300005915988	1	51	-2.0	-102.26	389.99	5.71	-96.55
CC1=C(CCC(=O)NCC(O)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300005917062	1	48	-2.0	-99.56	393.81	2.36	-97.20
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(O)CC(=O)[O-])=C1	REAL300005917383	0	38	-2.0	-98.71	336.27	0.13	-98.58
O=C([O-])CC(O)CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300005917635	1	42	-2.0	-95.35	381.74	2.43	-92.92
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005917676	0	38	-2.0	-99.68	336.34	0.35	-99.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005917717	1	40	-2.0	-104.84	358.03	5.31	-99.53
O=C([O-])CC(O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300005917766	1	42	-2.0	-92.43	381.83	2.40	-90.03
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C1	REAL300005917768	1	45	-2.0	-94.46	395.50	3.10	-91.36
O=C([O-])CC(O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300005917886	1	42	-2.0	-98.98	375.44	2.33	-96.65
O=C([O-])CC(O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300005917887	1	42	-2.0	-100.53	375.31	2.38	-98.15
CC1=CC(C(=O)NCC(O)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300005917900	0	38	-2.0	-83.81	356.56	0.55	-83.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(O)CC(=O)[O-])C=C2)C=C1	REAL300005918028	1	45	-2.0	-95.13	397.00	3.01	-92.12
O=C([O-])CC(O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005918112	0	39	-2.0	-97.30	367.36	1.34	-95.96
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(O)CC(=O)[O-])O1	REAL300005918129	1	41	-2.0	-93.68	362.77	-1.45	-95.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(O)CC(=O)[O-])O1	REAL300005918130	1	32	-2.0	-93.10	307.32	-3.85	-96.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(O)CC(=O)[O-])=C2)C=C1	REAL300005918247	1	45	-2.0	-101.85	396.72	3.03	-98.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(O)CC(=O)[O-])=C2)=C1	REAL300005918287	1	45	-2.0	-102.36	396.72	3.04	-99.32
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(O)CC(=O)[O-])=C1	REAL300005918358	0	42	-2.0	-105.76	370.98	-1.65	-107.41
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005918407	0	35	-2.0	-98.29	314.88	-0.55	-98.84
O=C([O-])CC(O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300005918414	0	39	-2.0	-98.95	367.24	1.39	-97.56
O=C([O-])CC(O)CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300005918415	0	42	-2.0	-104.60	391.89	2.07	-102.53
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(O)CC(=O)[O-])=CS1	REAL300005918733	1	39	-2.0	-98.23	348.76	0.60	-97.63
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005918914	0	35	-2.0	-93.11	321.29	-0.48	-93.59
CC1=C(CC(=O)NCC(O)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005918922	1	41	-2.0	-104.69	359.92	0.75	-103.94
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005918927	0	41	-2.0	-100.12	357.84	1.14	-98.98
CC1=C(C(=O)NCC(O)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005918980	1	41	-2.0	-99.16	338.66	0.98	-98.18
O=C([O-])CC(O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300005919085	1	42	-2.0	-94.51	375.59	2.33	-92.18
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(O)CC(=O)[O-]	REAL300005919525	0	41	-2.0	-102.85	360.76	1.70	-101.15
O=C([O-])CC(O)CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300005919609	0	28	-2.0	-85.78	295.27	1.66	-84.12
O=C([O-])CC(O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005919662	1	31	-2.0	-98.39	291.03	2.93	-95.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(O)CC(=O)[O-])C=N1	REAL300005919739	0	34	-2.0	-96.31	315.93	-1.52	-97.83
O=C([O-])CC(O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300005919795	1	41	-2.0	-90.80	370.63	0.56	-90.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N2)=C1	REAL300005919810	0	44	-2.0	-112.40	375.23	3.56	-108.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N2)C=C1	REAL300005919811	0	44	-2.0	-110.91	375.16	3.56	-107.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N1	REAL300005919869	0	38	-2.0	-107.68	342.69	2.67	-105.01
O=C([O-])CC(O)CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005919872	0	35	-2.0	-108.38	321.37	1.71	-106.67
O=C([O-])CC(O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300005919900	0	35	-2.0	-85.19	336.85	-0.18	-85.37
O=C([O-])CC(O)CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300005919932	0	27	-2.0	-88.96	276.39	-0.50	-89.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N2)=C1	REAL300005919972	0	38	-2.0	-114.83	339.71	2.31	-112.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N1	REAL300005919973	0	41	-2.0	-113.20	356.21	3.39	-109.81
CC1=C(CC(=O)NCC(O)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005919999	1	41	-2.0	-103.28	359.19	0.69	-102.59
CCOC1=CC(C(=O)NCC(O)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005920074	1	35	-2.0	-93.81	321.54	1.91	-91.90
O=C([O-])CC(O)CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300005920078	0	38	-2.0	-116.28	344.86	3.09	-113.19
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(O)CC(=O)[O-])=N2)C=C1	REAL300005920084	0	39	-2.0	-110.96	344.44	0.94	-110.02
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(O)CC(=O)[O-])=CO1	REAL300005920099	1	32	-2.0	-93.38	306.46	-3.87	-97.25
O=C([O-])CC(O)CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005920578	0	28	-2.0	-95.29	285.09	2.97	-92.32
CC1=C(C(=O)NCC(O)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005920759	0	36	-2.0	-102.31	318.89	0.08	-102.23
CC1=C(CCC(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005921485	1	54	-2.0	-106.51	416.93	8.08	-98.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300005921838	0	44	-2.0	-107.68	364.19	5.06	-102.62
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005922150	0	44	-2.0	-106.43	361.32	5.61	-100.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1	REAL300005922200	1	46	-2.0	-106.62	379.93	10.95	-95.67
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300005922652	1	47	-2.0	-112.79	381.08	4.23	-108.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)O1	REAL300005922653	1	38	-2.0	-110.60	326.31	1.78	-108.82
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300005922884	0	48	-2.0	-114.60	395.99	3.59	-111.01
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300005922930	0	41	-2.0	-104.94	339.85	4.71	-100.23
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)CC(C(=O)[O-])C2)=CS1	REAL300005923304	1	45	-2.0	-95.36	370.57	6.27	-89.09
CC1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005923539	0	41	-2.0	-100.20	346.25	4.78	-95.42
CC1=C(CC(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005923544	1	47	-2.0	-106.83	380.56	6.47	-100.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300005923548	0	47	-2.0	-107.00	382.81	6.41	-100.59
CC1=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005923619	1	47	-2.0	-114.16	368.76	6.39	-107.77
CC1CC(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300005924369	0	47	-2.0	-110.98	385.78	6.99	-103.99
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005924564	1	37	-2.0	-102.59	315.37	7.03	-95.56
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005924663	0	40	-2.0	-106.58	342.21	3.54	-103.04
CC1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005924694	1	39	-2.0	-106.39	322.01	5.17	-101.22
CC(C)C1=CC(N2C=C([O-])C(C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)=CC=C1	REAL300005924748	0	50	-2.0	-119.96	394.03	9.44	-110.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C=C1	REAL300005924749	0	50	-2.0	-119.23	398.24	9.20	-110.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300005924825	0	44	-2.0	-116.07	369.78	7.71	-108.36
CC1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005924830	0	41	-2.0	-118.01	340.18	7.59	-110.42
CC1CC(C(=O)[O-])CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005924854	1	39	-2.0	-115.87	316.72	8.18	-107.69
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300005924874	0	41	-2.0	-88.19	362.99	4.90	-83.29
CC1CC(C(=O)[O-])CN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300005924923	0	33	-2.0	-97.95	301.86	4.61	-93.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)=C1	REAL300005924986	0	44	-2.0	-124.03	358.52	8.17	-115.86
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300005924987	0	47	-2.0	-124.37	384.24	8.44	-115.93
CC1=C(CC(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005925047	1	47	-2.0	-105.34	380.74	6.46	-98.88
CC1CC(C(=O)[O-])CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005925090	0	34	-2.0	-96.15	303.48	6.09	-90.06
COC1=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300005925098	1	37	-2.0	-102.23	310.43	0.25	-101.98
CCOC1=CC(C(=O)N2CC(C)CC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300005925205	1	41	-2.0	-102.67	344.22	7.34	-95.33
CC1CC(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300005925209	0	44	-2.0	-126.47	368.86	8.43	-118.04
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C=C1	REAL300005925217	0	45	-2.0	-119.22	363.25	6.82	-112.40
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)CC(C(=O)[O-])C2)=CO1	REAL300005925237	1	38	-2.0	-96.87	331.41	1.43	-95.44
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005925368	0	37	-2.0	-84.93	313.48	4.89	-80.04
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005925368	1	37	-2.0	-84.88	313.55	4.89	-79.99
COCC1=NC=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]1	REAL300005925640	1	39	-2.0	-105.71	323.85	2.82	-102.89
CC1CC(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005925679	1	42	-2.0	-106.63	337.76	5.72	-100.91
CC1CC(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005925940	0	34	-2.0	-99.98	308.72	7.68	-92.30
CC1=C(C(=O)N2CC(C)CC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005926201	0	42	-2.0	-117.40	349.71	5.09	-112.31
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C([O-])=C1	REAL300005928239	1	32	-2.0	-108.56	299.57	6.31	-102.25
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1Br	REAL300005928669	1	28	-2.0	-91.20	278.92	5.55	-85.65
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300005928740	0	28	-2.0	-90.07	276.38	3.62	-86.45
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300005928740	1	28	-2.0	-90.03	276.43	3.63	-86.40
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1Br	REAL300005928837	1	27	-2.0	-92.57	267.78	3.67	-88.90
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1Br	REAL300005928951	0	33	-2.0	-110.26	312.69	7.62	-102.64
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1Br	REAL300005929197	0	28	-2.0	-88.83	294.63	6.12	-82.71
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Br	REAL300005929298	0	31	-2.0	-100.68	297.87	4.40	-96.28
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Br	REAL300005929298	1	31	-2.0	-100.70	297.93	4.42	-96.28
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1Br	REAL300005929329	0	28	-2.0	-88.31	288.72	6.04	-82.27
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Br	REAL300005929468	0	31	-2.0	-83.71	308.22	4.22	-79.49
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Br	REAL300005929468	1	31	-2.0	-83.74	308.15	4.20	-79.54
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1Br	REAL300005929664	0	26	-2.0	-81.15	259.99	4.10	-77.05
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Br)=C2)C(=O)[N-]1	REAL300005929690	1	33	-2.0	-87.23	314.65	2.79	-84.44
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=C1	REAL300005931989	0	48	-2.0	-109.03	393.28	6.71	-102.32
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005932288	0	48	-2.0	-110.51	397.14	6.95	-103.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005932746	1	51	-2.0	-102.95	415.42	5.69	-97.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)O1	REAL300005932747	1	42	-2.0	-92.18	362.05	3.24	-88.94
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005933008	0	45	-2.0	-108.93	375.67	6.06	-102.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=CS1	REAL300005933348	1	49	-2.0	-105.42	406.59	7.66	-97.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005933578	0	45	-2.0	-102.72	380.99	6.08	-96.64
CC1=C(CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005933580	1	51	-2.0	-108.43	416.53	7.82	-100.61
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1	REAL300005933583	0	51	-2.0	-111.08	418.63	7.74	-103.34
CC1=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005933666	1	51	-2.0	-112.83	404.66	7.50	-105.33
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005934724	1	38	-2.0	-97.02	318.72	7.15	-89.87
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005934736	1	41	-2.0	-109.66	351.72	8.45	-101.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C=N1	REAL300005934842	0	44	-2.0	-104.10	373.26	5.23	-98.87
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300005934877	1	43	-2.0	-101.09	356.88	6.56	-94.53
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=N2)=C1	REAL300005934935	0	54	-2.0	-116.75	429.92	10.81	-105.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=N2)C=C1	REAL300005934936	0	54	-2.0	-117.20	430.12	10.85	-106.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=N1	REAL300005935032	0	48	-2.0	-108.40	402.53	9.35	-99.05
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005935037	0	45	-2.0	-116.25	376.28	8.97	-107.28
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300005935079	1	43	-2.0	-116.28	351.99	9.51	-106.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=N2)=C1	REAL300005935244	0	48	-2.0	-119.13	394.37	9.56	-109.57
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=N1	REAL300005935245	0	51	-2.0	-119.89	410.95	10.61	-109.28
CC1=C(CC(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005935322	1	51	-2.0	-106.78	416.72	7.82	-98.96
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300005935384	0	38	-2.0	-96.91	333.69	7.66	-89.25
COC1=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300005935401	1	41	-2.0	-95.67	347.04	1.62	-94.05
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300005935500	0	41	-2.0	-102.15	337.20	6.33	-95.82
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300005935500	1	41	-2.0	-102.16	337.26	6.35	-95.81
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005935537	0	38	-2.0	-94.02	328.52	7.62	-86.40
CCOC1=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005935541	1	45	-2.0	-100.57	378.53	8.63	-91.94
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)=N2)C=C1	REAL300005935551	0	49	-2.0	-116.29	399.94	8.20	-108.09
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)=CO1	REAL300005935575	1	42	-2.0	-93.40	360.90	2.93	-90.47
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005935741	0	41	-2.0	-88.43	344.90	6.58	-81.85
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005935741	1	41	-2.0	-88.43	344.96	6.58	-81.85
COCC1=NC=C(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300005936076	1	43	-2.0	-100.52	358.97	4.15	-96.37
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300005936124	1	46	-2.0	-101.53	373.05	7.04	-94.49
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005936446	0	38	-2.0	-105.10	345.83	8.47	-96.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300005938054	1	46	-2.0	-100.29	375.70	1.21	-99.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300005938236	0	49	-2.0	-122.09	390.27	4.08	-118.01
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005938731	1	55	-2.0	-134.39	420.71	5.42	-128.97
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300005939677	1	42	-2.0	-107.07	328.66	5.01	-102.06
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005939690	1	45	-2.0	-125.06	366.38	6.95	-118.11
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300005939744	0	42	-2.0	-100.48	329.72	3.48	-97.00
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300005939744	1	42	-2.0	-100.49	329.78	3.50	-96.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C=N1	REAL300005939815	0	48	-2.0	-106.60	383.62	3.04	-103.56
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005939845	1	47	-2.0	-110.63	375.49	4.67	-105.96
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300005939878	1	41	-2.0	-103.47	319.24	3.17	-100.30
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005940021	1	47	-2.0	-128.70	361.73	8.04	-120.66
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005940299	0	42	-2.0	-103.68	344.63	5.54	-98.14
COC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)NC(=O)[N-]C1=O	REAL300005940318	1	45	-2.0	-101.49	353.36	1.26	-100.23
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300005940410	0	45	-2.0	-98.44	348.06	4.08	-94.36
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300005940410	1	45	-2.0	-98.43	348.12	4.10	-94.33
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005940443	0	42	-2.0	-104.16	338.46	5.49	-98.67
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=CC(Cl)=C1[O-]	REAL300005940446	1	49	-2.0	-106.22	389.15	6.52	-99.70
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)=CO1	REAL300005940477	1	46	-2.0	-108.25	373.26	0.88	-107.37
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005940627	0	45	-2.0	-97.12	357.17	4.51	-92.61
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005940627	1	45	-2.0	-97.12	357.24	4.53	-92.59
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300005940885	0	40	-2.0	-103.19	309.95	3.52	-99.67
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C3CCOCC3)C2)C(=O)[N-]1	REAL300005940916	1	47	-2.0	-109.84	377.59	2.26	-107.58
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005940960	1	50	-2.0	-110.36	391.35	5.22	-105.14
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005941248	0	42	-2.0	-120.03	353.09	7.50	-112.53
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300005942611	0	46	-2.0	-105.64	383.40	5.04	-100.60
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)CCO1	REAL300005942900	0	46	-2.0	-103.99	383.66	5.27	-98.72
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)CCO1	REAL300005943344	1	40	-2.0	-88.84	349.59	1.47	-87.37
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300005943599	0	43	-2.0	-105.27	361.71	4.38	-100.89
C=CCC1(C(=O)[O-])CN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CCO1	REAL300005943936	1	47	-2.0	-108.01	395.21	5.92	-102.09
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300005944160	0	43	-2.0	-98.46	368.42	4.45	-94.01
C=CCC1(C(=O)[O-])CN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)CCO1	REAL300005944162	1	49	-2.0	-114.74	404.50	6.14	-108.60
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CCC)CCO1	REAL300005944165	0	49	-2.0	-104.58	405.15	6.06	-98.52
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CCO1	REAL300005944246	1	49	-2.0	-106.78	392.81	5.82	-100.96
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([O-])C(F)=C2)CCO1	REAL300005945291	1	36	-2.0	-95.60	304.27	5.39	-90.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300005945303	1	39	-2.0	-107.59	338.25	6.86	-100.73
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CCO1	REAL300005945411	0	42	-2.0	-96.29	361.43	3.46	-92.83
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300005945447	1	41	-2.0	-104.97	345.49	4.91	-100.06
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])CCO1	REAL300005945504	0	52	-2.0	-119.32	417.92	9.15	-110.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])CCO1	REAL300005945505	0	52	-2.0	-118.40	417.91	9.15	-109.25
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])CCO1	REAL300005945599	0	46	-2.0	-115.07	390.38	7.68	-107.39
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300005945604	0	43	-2.0	-117.33	364.12	7.30	-110.03
C=CCC1(C(=O)[O-])CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300005945645	1	41	-2.0	-119.96	339.71	7.89	-112.07
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])CCO1	REAL300005945808	0	46	-2.0	-122.86	382.59	7.88	-114.98
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])CCO1	REAL300005945809	0	49	-2.0	-118.46	403.79	8.42	-110.04
C=CCC1(C(=O)[O-])CN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)CCO1	REAL300005945886	1	49	-2.0	-113.53	405.59	6.18	-107.35
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300005945948	0	36	-2.0	-90.84	322.34	5.99	-84.85
C=CCC1(C(=O)[O-])CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)CCO1	REAL300005945965	1	39	-2.0	-91.35	334.24	-0.08	-91.43
C=CCC1(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL300005946064	0	39	-2.0	-103.89	325.14	4.65	-99.24
C=CCC1(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL300005946064	1	39	-2.0	-103.90	325.20	4.66	-99.24
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CCO1	REAL300005946101	0	36	-2.0	-92.48	314.07	5.88	-86.60
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)CCO1	REAL300005946105	1	43	-2.0	-95.19	367.20	6.97	-88.22
C=CCC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])CCO1	REAL300005946115	0	47	-2.0	-118.23	387.19	6.53	-111.70
C=CCC1(C(=O)[O-])CN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)CCO1	REAL300005946139	1	40	-2.0	-105.75	348.52	1.22	-104.53
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300005946302	0	39	-2.0	-87.06	332.74	4.89	-82.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300005946302	1	39	-2.0	-87.07	332.81	4.90	-82.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(COC)[N-]C2=O)CCO1	REAL300005946635	1	41	-2.0	-103.69	347.30	2.48	-101.21
C=CCC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300005946683	1	44	-2.0	-104.60	361.34	5.46	-99.14
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949632	1	42	-2.0	-103.37	352.79	6.81	-96.56
COC1=CC=C([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005949702	0	42	-2.0	-92.47	355.21	5.30	-87.17
COC1=CC=C([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C(=O)[O-])C=C1	REAL300005949702	1	42	-2.0	-92.51	355.27	5.32	-87.19
COC1=CC=C([C@@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005949778	1	47	-2.0	-109.86	389.79	6.33	-103.53
COC1=CC=C([C@@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005949796	1	41	-2.0	-109.94	343.50	4.90	-105.04
COC1=CC=C([C@@H]2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005949903	1	47	-2.0	-115.19	388.51	9.86	-105.33
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950137	0	42	-2.0	-99.54	368.25	7.35	-92.19
COC1=CC=C([C@@H]2CN(C(=O)C3=C(OC)C(=O)[N-]C(=O)N3)C[C@H]2C(=O)[O-])C=C1	REAL300005950156	1	45	-2.0	-107.15	378.39	2.93	-104.22
COC1=CC=C([C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005950232	0	45	-2.0	-92.33	377.39	6.13	-86.20
COC1=CC=C([C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C(=O)[O-])C=C1	REAL300005950232	1	45	-2.0	-92.30	377.44	6.15	-86.15
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005950261	0	42	-2.0	-100.53	362.59	7.30	-93.23
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005950389	0	45	-2.0	-85.83	384.83	6.35	-79.48
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005950389	1	45	-2.0	-85.82	384.89	6.37	-79.45
COC1=CC=C([C@@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005950572	0	40	-2.0	-94.36	346.16	5.45	-88.91
COCC1=NC=C(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300005950595	1	47	-2.0	-108.61	391.93	3.98	-104.63
COC1=CC=C([C@@H]2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005950631	1	50	-2.0	-123.67	412.09	6.93	-116.74
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300005951905	0	45	-2.0	-103.84	365.36	5.51	-98.33
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005952220	0	45	-2.0	-101.69	360.84	5.53	-96.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300005952270	1	47	-2.0	-115.55	388.64	11.07	-104.48
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)O1	REAL300005952713	1	48	-2.0	-96.85	389.47	4.49	-92.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)O1	REAL300005952714	1	39	-2.0	-95.59	334.70	2.05	-93.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005952987	0	42	-2.0	-100.40	339.38	4.64	-95.76
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3(C(=O)[O-])CCCC23)=CS1	REAL300005953356	1	46	-2.0	-119.73	379.03	6.39	-113.34
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005953592	0	42	-2.0	-98.11	350.40	4.91	-93.20
CC1=C(CC(=O)N2CCC3(C(=O)[O-])CCCC23)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005953595	1	48	-2.0	-131.17	388.98	6.54	-124.63
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(C(=O)[O-])CCCC12	REAL300005953598	0	48	-2.0	-105.00	386.94	6.53	-98.47
CC1=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005953678	1	48	-2.0	-126.01	375.51	6.38	-119.63
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300005954709	1	38	-2.0	-103.13	320.08	8.06	-95.07
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300005954817	0	41	-2.0	-102.51	341.36	3.86	-98.65
O=C([O-])C12CCCC1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300005954850	1	40	-2.0	-103.42	330.60	5.38	-98.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4(C(=O)[O-])CCCC34)=N2)=C1	REAL300005954908	0	51	-2.0	-129.36	399.95	9.59	-119.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300005954909	0	51	-2.0	-128.30	399.88	9.60	-118.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300005954999	0	45	-2.0	-126.27	367.57	8.64	-117.63
O=C([O-])C12CCCC1N(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300005955004	0	42	-2.0	-126.50	346.10	7.74	-118.76
O=C([O-])C12CCCC1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300005955035	1	40	-2.0	-133.63	320.75	8.87	-124.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4(C(=O)[O-])CCCC34)=N2)=C1	REAL300005955188	0	45	-2.0	-133.20	364.48	8.33	-124.87
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300005955189	0	48	-2.0	-131.22	367.87	8.92	-122.30
CC1=C(CC(=O)N2CCC3(C(=O)[O-])CCCC23)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005955260	1	48	-2.0	-118.10	389.45	6.61	-111.49
O=C([O-])C12CCCC1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300005955310	0	35	-2.0	-98.68	300.97	6.37	-92.31
COC1=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)NC(=O)[N-]C1=O	REAL300005955321	1	38	-2.0	-95.50	310.75	1.80	-93.70
O=C([O-])C12CCCC1N(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300005955446	0	35	-2.0	-100.55	294.82	6.31	-94.24
CCOC1=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=CC(Cl)=C1[O-]	REAL300005955449	1	42	-2.0	-98.25	347.84	7.35	-90.90
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300005955461	0	46	-2.0	-121.68	372.10	6.98	-114.70
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(C(=O)[O-])CCCC23)=CO1	REAL300005955484	1	39	-2.0	-97.91	327.28	1.61	-96.30
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300005955641	0	38	-2.0	-95.38	314.23	5.33	-90.05
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300005955641	1	38	-2.0	-95.35	314.30	5.33	-90.02
COCC1=NC=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(=O)[N-]1	REAL300005955960	1	40	-2.0	-120.84	329.98	2.95	-117.89
O=C([O-])C12CCCC1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300005956004	1	43	-2.0	-103.51	346.35	5.93	-97.58
O=C([O-])C12CCCC1N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300005956302	0	35	-2.0	-117.46	312.27	7.98	-109.48
CC1=C(C(=O)N2CCC3(C(=O)[O-])CCCC23)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005956602	0	43	-2.0	-127.96	355.80	5.46	-122.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)=C1	REAL300005957694	1	40	-2.0	-112.70	349.23	3.55	-109.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005958004	1	40	-2.0	-114.61	349.90	3.77	-110.84
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C=C1	REAL300005958055	1	42	-2.0	-119.67	372.50	8.68	-110.99
CC1=NC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C1C(=O)[O-]	REAL300005958492	1	43	-2.0	-91.56	375.63	2.01	-89.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)O1	REAL300005958493	1	34	-2.0	-90.45	320.58	-0.42	-90.87
CC1=NC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300005958763	0	37	-2.0	-112.85	328.43	2.87	-109.98
CC1=NC=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1C(=O)[O-]	REAL300005959127	1	41	-2.0	-115.92	362.62	3.98	-111.94
CC1=NC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300005959359	0	37	-2.0	-104.62	334.24	2.94	-101.68
CC1=NC=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=C1C(=O)[O-]	REAL300005959362	1	43	-2.0	-116.88	373.47	4.18	-112.70
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN=C(C)C(C(=O)[O-])=C1	REAL300005959365	1	43	-2.0	-115.22	371.40	4.56	-110.66
CC1=NC=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C1C(=O)[O-]	REAL300005959440	1	43	-2.0	-96.50	352.87	4.39	-92.11
COC1=CC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C([O-])=C1	REAL300005959905	1	34	-2.0	-126.22	295.00	4.56	-121.66
CC1=NC=C(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300005960242	0	43	-2.0	-118.87	374.30	5.13	-113.74
CC1=NC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300005960438	1	33	-2.0	-116.72	304.28	6.25	-110.47
CC1=NC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300005960546	0	36	-2.0	-99.35	329.19	1.92	-97.43
CC1=NC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300005960579	1	35	-2.0	-96.42	306.74	3.38	-93.04
CC1=NC=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300005960636	0	46	-2.0	-124.83	389.01	6.94	-117.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)=N1	REAL300005960721	0	40	-2.0	-121.58	355.88	6.05	-115.53
CC1=NC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300005960752	0	35	-2.0	-125.84	308.38	5.88	-119.96
CC1=NC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1C(=O)[O-]	REAL300005960824	0	29	-2.0	-99.61	289.93	2.91	-96.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)=N2)=C1	REAL300005960890	0	40	-2.0	-129.45	353.27	5.67	-123.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)=N1	REAL300005960891	0	43	-2.0	-126.97	362.77	6.81	-120.16
CC1=NC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300005961007	0	30	-2.0	-96.42	289.97	4.37	-92.05
CC1=NC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300005961129	0	30	-2.0	-95.31	284.04	4.29	-91.02
CCOC1=CC(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300005961133	1	37	-2.0	-99.13	334.81	5.34	-93.79
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CN=C(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300005961144	0	41	-2.0	-124.67	358.29	4.32	-120.35
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)=CO1	REAL300005961166	1	34	-2.0	-106.43	320.02	-0.44	-106.87
CC1=NC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1C(=O)[O-]	REAL300005961252	0	38	-2.0	-108.28	332.15	8.24	-100.04
CC1=NC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1C(=O)[O-]	REAL300005961252	1	38	-2.0	-108.35	332.11	8.26	-100.09
CC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300005961316	0	33	-2.0	-88.51	303.77	2.46	-86.05
CC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300005961316	1	33	-2.0	-88.46	303.84	2.46	-86.00
COCC1=NC=C(C(=O)NC2=CN=C(C)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300005961620	1	35	-2.0	-95.85	308.84	0.97	-94.88
CC1=NC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300005961665	1	38	-2.0	-90.44	322.97	3.80	-86.64
CC1=NC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300005961950	0	30	-2.0	-111.55	298.36	6.29	-105.26
CC1=NC=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C1C(=O)[O-]	REAL300005962230	0	38	-2.0	-99.61	332.60	3.46	-96.15
CC1=C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300005963356	0	41	-2.0	-100.95	374.07	4.77	-96.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005963645	0	41	-2.0	-101.90	375.08	4.94	-96.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)O1	REAL300005964089	1	35	-2.0	-94.86	345.14	0.78	-94.08
CC1=C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300005964344	0	38	-2.0	-100.55	352.68	4.09	-96.46
CC1=C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C(C(=O)[O-])S1	REAL300005964681	1	42	-2.0	-102.44	386.86	5.21	-97.23
CC1=C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300005964905	0	38	-2.0	-95.43	359.09	4.16	-91.27
CC1=C(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005964907	1	44	-2.0	-110.02	396.81	5.36	-104.66
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C)SC(C(=O)[O-])=C1	REAL300005964910	0	44	-2.0	-102.35	396.58	5.73	-96.62
CC1=C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005964991	1	44	-2.0	-98.68	377.70	5.54	-93.14
CC1=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C=C(C(=O)[O-])S1	REAL300005966036	1	31	-2.0	-95.39	298.49	5.02	-90.37
CC1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966048	1	34	-2.0	-100.48	329.75	7.53	-92.95
CC1=C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C(C(=O)[O-])S1	REAL300005966156	0	37	-2.0	-98.44	354.66	3.07	-95.37
CC1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005966192	1	36	-2.0	-98.09	332.22	4.55	-93.54
CC1=C(CNC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966249	0	47	-2.0	-113.59	413.33	8.17	-105.42
CC1=C(CNC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966250	0	47	-2.0	-112.11	413.26	8.17	-103.94
CC1=C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966344	0	41	-2.0	-109.44	380.80	7.28	-102.16
CC1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966349	0	38	-2.0	-109.88	359.48	6.32	-103.56
CC1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C(C(=O)[O-])S1	REAL300005966390	1	36	-2.0	-111.16	332.64	7.19	-103.97
CC1=C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=C(C(=O)[O-])S1	REAL300005966553	0	41	-2.0	-116.15	377.82	6.90	-109.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300005966554	0	44	-2.0	-114.12	394.33	7.98	-106.14
CC1=C(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005966631	1	44	-2.0	-108.89	397.00	5.35	-103.54
CC1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300005966693	0	31	-2.0	-92.40	315.43	5.54	-86.86
COC1=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300005966710	1	34	-2.0	-95.89	321.58	0.62	-95.27
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300005966809	0	34	-2.0	-97.45	317.44	3.88	-93.57
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300005966809	1	34	-2.0	-97.47	317.50	3.90	-93.57
CC1=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300005966846	0	31	-2.0	-92.01	308.29	5.51	-86.50
CCOC1=CC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300005966850	1	38	-2.0	-96.47	360.27	6.51	-89.96
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C)SC(C(=O)[O-])=C3)=N2)C=C1	REAL300005966860	0	42	-2.0	-112.28	382.55	5.55	-106.73
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)=CO1	REAL300005966884	1	35	-2.0	-96.55	344.26	0.77	-95.78
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])S1	REAL300005967047	0	34	-2.0	-88.94	328.03	3.67	-85.27
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])S1	REAL300005967047	1	34	-2.0	-88.90	328.10	3.68	-85.22
COCC1=NC=C(C(=O)NCC2=C(C)SC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300005967380	1	36	-2.0	-96.96	334.32	2.14	-94.82
CC1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005967428	1	39	-2.0	-97.66	347.30	5.07	-92.59
CC1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C(C(=O)[O-])S1	REAL300005967747	0	31	-2.0	-97.18	323.82	7.57	-89.61
CC1=C(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300005968054	0	39	-2.0	-101.91	357.93	4.63	-97.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)O1	REAL300005969574	1	41	-2.0	-90.57	373.28	0.66	-89.91
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC1CN1C=C(C(=O)[O-])N=N1	REAL300005969761	0	44	-2.0	-100.50	371.83	3.16	-97.34
CC1=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300005970288	1	50	-2.0	-135.27	404.22	5.29	-129.98
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)N=N1	REAL300005971271	1	37	-2.0	-119.15	315.58	4.98	-114.17
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N=N1	REAL300005971284	1	40	-2.0	-99.58	347.99	6.61	-92.97
O=C([O-])C1=CN(CC2CCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300005971340	0	37	-2.0	-118.28	316.80	3.52	-114.76
O=C([O-])C1=CN(CC2CCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300005971340	1	37	-2.0	-118.30	316.74	3.50	-114.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C=N1	REAL300005971415	0	43	-2.0	-119.04	371.17	3.01	-116.03
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)N=N1	REAL300005971446	1	42	-2.0	-101.75	345.42	2.52	-99.23
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CN=CC([O-])=C2)N=N1	REAL300005971484	1	36	-2.0	-102.51	306.67	2.08	-100.43
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=N1	REAL300005971641	1	42	-2.0	-114.39	360.42	7.48	-106.91
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=N1	REAL300005971928	0	37	-2.0	-120.17	331.50	5.50	-114.67
COC1=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)NC(=O)[N-]C1=O	REAL300005971947	1	40	-2.0	-122.54	338.59	0.81	-121.73
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC2=NN=N[N-]2)N=N1	REAL300005972043	0	40	-2.0	-103.95	347.83	3.77	-100.18
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC2=N[N-]N=N2)N=N1	REAL300005972043	1	40	-2.0	-103.94	347.77	3.76	-100.18
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)N=N1	REAL300005972078	0	37	-2.0	-116.96	325.38	5.47	-111.49
CCOC1=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=CC(Cl)=C1[O-]	REAL300005972081	1	44	-2.0	-126.21	376.86	6.48	-119.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)=CO1	REAL300005972114	1	41	-2.0	-102.09	369.45	0.33	-101.76
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300005972273	0	40	-2.0	-88.16	355.92	4.00	-84.16
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300005972273	1	40	-2.0	-88.22	355.85	3.99	-84.23
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=C[N-]N=CC2=O)N=N1	REAL300005972547	0	35	-2.0	-92.43	293.36	2.47	-89.96
COCC1=NC=C(C(=O)N2CCCC2CN2C=C(C(=O)[O-])N=N2)C(=O)[N-]1	REAL300005972580	1	42	-2.0	-100.66	347.25	0.14	-100.52
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CN=C(C3CCC3)[N-]C2=O)N=N1	REAL300005972627	1	45	-2.0	-101.91	361.18	3.07	-98.84
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N=N1	REAL300005972925	0	37	-2.0	-133.51	342.56	6.96	-126.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])=C1	REAL300005974117	0	41	-2.0	-115.44	375.81	5.30	-110.14
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005974406	0	41	-2.0	-116.34	376.13	5.46	-110.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])O1	REAL300005974850	1	35	-2.0	-95.85	346.78	1.29	-94.56
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005975105	0	38	-2.0	-114.63	354.42	4.62	-110.01
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CS2)C(=O)[O-])=CS1	REAL300005975442	1	42	-2.0	-114.74	388.84	5.65	-109.09
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005975666	0	38	-2.0	-107.24	360.82	4.69	-102.55
CC1=C(CC(=O)NC(CC2=CC=CS2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005975668	1	44	-2.0	-115.44	398.22	5.92	-109.52
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300005975671	0	44	-2.0	-116.97	397.38	6.30	-110.67
CC1=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005975752	1	44	-2.0	-112.01	378.83	6.05	-105.96
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005976797	1	31	-2.0	-99.31	300.47	5.50	-93.81
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005976809	1	34	-2.0	-116.89	330.80	8.03	-108.86
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300005976917	0	37	-2.0	-103.04	355.39	3.65	-99.39
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005976953	1	36	-2.0	-111.63	333.35	5.05	-106.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=CC=CS3)C(=O)[O-])=N2)=C1	REAL300005977010	0	47	-2.0	-132.17	414.98	8.67	-123.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CS3)C(=O)[O-])=N2)C=C1	REAL300005977011	0	47	-2.0	-130.68	415.24	8.63	-122.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300005977105	0	41	-2.0	-127.20	382.79	7.72	-119.48
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005977110	0	38	-2.0	-128.28	361.13	6.82	-121.46
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005977151	1	36	-2.0	-133.28	334.29	7.70	-125.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=CC=CS3)C(=O)[O-])=N2)=C1	REAL300005977314	0	41	-2.0	-135.08	379.80	7.36	-127.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300005977315	0	44	-2.0	-134.37	395.99	8.50	-125.87
CC1=C(CC(=O)NC(CC2=CC=CS2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005977392	1	44	-2.0	-113.83	398.65	5.85	-107.98
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005977454	0	31	-2.0	-96.14	316.49	6.06	-90.08
COC1=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300005977471	1	34	-2.0	-97.14	322.31	1.17	-95.97
O=C([O-])C(CC1=CC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL300005977570	0	34	-2.0	-105.42	319.10	4.39	-101.03
O=C([O-])C(CC1=CC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL300005977570	1	34	-2.0	-105.41	319.15	4.41	-101.00
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005977607	0	31	-2.0	-97.13	310.02	6.05	-91.08
CCOC1=CC(C(=O)NC(CC2=CC=CS2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005977611	1	38	-2.0	-101.55	361.32	7.03	-94.52
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C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CS2)C(=O)[O-])=CO1	REAL300005977645	1	35	-2.0	-102.82	345.92	1.28	-101.54
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O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005977808	1	34	-2.0	-90.43	330.08	4.13	-86.30
COCC1=NC=C(C(=O)NC(CC2=CC=CS2)C(=O)[O-])C(=O)[N-]1	REAL300005978141	1	36	-2.0	-109.96	335.20	2.71	-107.25
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005978189	1	39	-2.0	-110.62	348.96	5.61	-105.01
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300005980062	1	42	-2.0	-102.24	373.62	1.54	-100.70
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COCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300005981462	1	41	-2.0	-128.58	357.13	7.82	-120.76
COCC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981503	0	38	-2.0	-102.78	324.45	3.80	-98.98
COCC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981503	1	38	-2.0	-102.79	324.50	3.82	-98.97
COCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981565	0	44	-2.0	-110.57	382.22	3.86	-106.71
COCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300005981587	1	43	-2.0	-121.47	359.75	5.36	-116.11
COCC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981619	1	37	-2.0	-112.44	315.83	3.87	-108.57
COCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300005981701	0	45	-2.0	-140.79	387.97	7.07	-133.72
COCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981732	1	43	-2.0	-145.93	361.13	7.46	-138.47
COCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981969	0	38	-2.0	-104.07	342.77	6.31	-97.76
COCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005981982	1	41	-2.0	-103.98	348.94	0.91	-103.07
COCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005982057	0	41	-2.0	-111.30	345.94	4.59	-106.71
COCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300005982057	1	41	-2.0	-111.32	346.00	4.60	-106.72
COCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300005982087	0	38	-2.0	-105.08	336.77	6.26	-98.82
CCOC1=CC(C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300005982091	1	45	-2.0	-109.59	387.83	7.29	-102.30
C[N-]S(=O)(=O)C1=CC(C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300005982112	1	42	-2.0	-109.39	372.75	1.51	-107.88
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005982246	0	41	-2.0	-96.60	356.53	4.40	-92.20
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300005982246	1	41	-2.0	-96.56	356.60	4.41	-92.15
COCC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300005982465	0	36	-2.0	-110.07	308.05	4.31	-105.76
COCC1=NC=C(C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300005982488	1	43	-2.0	-119.95	361.85	2.95	-117.00
COCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300005982530	1	46	-2.0	-120.88	375.55	5.83	-115.05
COCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300005982757	0	38	-2.0	-124.49	351.39	7.87	-116.62
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Br)C=C1	REAL300005983763	1	37	-2.0	-97.01	332.23	7.51	-89.50
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300005983799	0	37	-2.0	-93.03	329.69	5.55	-87.48
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300005983799	1	37	-2.0	-93.05	329.75	5.56	-87.49
CC(CC(=O)[O-])(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Br)C=C1	REAL300005983831	1	36	-2.0	-99.53	321.08	5.60	-93.93
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300005983957	0	40	-2.0	-98.19	351.19	6.33	-91.86
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300005983957	1	40	-2.0	-98.27	351.25	6.34	-91.93
CC(CC(=O)[O-])(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Br)C=C1	REAL300005984056	0	35	-2.0	-98.47	313.49	6.20	-92.27
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=C1	REAL300005985476	0	47	-2.0	-135.73	377.96	6.77	-128.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005985786	0	47	-2.0	-137.79	377.39	7.13	-130.66
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C=C1	REAL300005985834	1	49	-2.0	-118.45	406.55	11.21	-107.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300005986275	1	50	-2.0	-90.92	408.02	4.57	-86.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])O1	REAL300005986276	1	41	-2.0	-90.03	353.26	2.13	-87.90
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300005986548	0	44	-2.0	-135.65	355.92	6.23	-129.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)(C)CC2CC(=O)[O-])=CS1	REAL300005986906	1	48	-2.0	-113.54	397.22	6.55	-106.99
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300005987146	0	44	-2.0	-125.85	363.00	6.18	-119.67
CC1=C(CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005987149	1	50	-2.0	-118.18	407.06	6.68	-111.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C)CC1CC(=O)[O-]	REAL300005987152	0	50	-2.0	-138.92	398.89	7.92	-131.00
CC1=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300005987233	1	50	-2.0	-137.37	391.27	7.43	-129.94
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300005988274	1	40	-2.0	-142.99	332.05	9.08	-133.91
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300005988381	0	43	-2.0	-117.42	355.82	5.13	-112.29
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300005988414	1	42	-2.0	-101.52	338.68	5.30	-96.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=N2)=C1	REAL300005988473	0	53	-2.0	-126.90	421.47	9.67	-117.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=N2)C=C1	REAL300005988474	0	53	-2.0	-125.93	421.42	9.68	-116.25
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=N1	REAL300005988564	0	47	-2.0	-122.82	387.96	8.78	-114.04
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300005988569	0	44	-2.0	-124.65	367.62	7.82	-116.83
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300005988600	1	42	-2.0	-127.67	340.35	8.92	-118.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=N2)=C1	REAL300005988755	0	47	-2.0	-131.07	385.94	8.40	-122.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=N1	REAL300005988756	0	50	-2.0	-129.36	399.57	9.33	-120.03
CC1=C(CC(=O)N2CC(C)(C)CC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005988826	1	50	-2.0	-116.66	407.24	6.67	-109.99
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300005988877	0	37	-2.0	-112.16	316.34	7.62	-104.54
COC1=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300005988889	1	40	-2.0	-115.42	328.97	2.52	-112.90
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300005989017	0	37	-2.0	-115.99	310.13	7.56	-108.43
CCOC1=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300005989020	1	44	-2.0	-118.06	361.18	8.61	-109.45
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3CC(=O)[O-])=N2)C=C1	REAL300005989032	0	48	-2.0	-125.77	390.69	7.05	-118.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)(C)CC2CC(=O)[O-])=CO1	REAL300005989055	1	41	-2.0	-121.53	345.69	3.04	-118.49
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300005989211	0	40	-2.0	-87.60	335.80	5.44	-82.16
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300005989211	1	40	-2.0	-87.57	335.87	5.44	-82.13
COCC1=NC=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(=O)[N-]1	REAL300005989532	1	42	-2.0	-126.72	338.89	4.33	-122.39
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300005989576	1	45	-2.0	-101.62	354.40	5.86	-95.76
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300005989875	0	37	-2.0	-137.33	326.15	9.10	-128.23
CC1=C(C(=O)N2CC(C)(C)CC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300005990178	0	45	-2.0	-130.98	361.77	7.10	-123.88
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005991660	1	51	-2.0	-102.99	417.83	4.87	-98.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])O1	REAL300005991661	1	42	-2.0	-102.00	363.69	2.47	-99.53
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=CS1	REAL300005992131	1	49	-2.0	-104.88	405.41	6.86	-98.02
CC1=C(CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300005992320	1	51	-2.0	-110.53	415.37	7.00	-103.53
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300005993220	1	38	-2.0	-100.33	316.43	6.66	-93.67
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300005993230	1	41	-2.0	-112.73	346.74	9.18	-103.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=N1	REAL300005993314	0	44	-2.0	-105.85	372.28	4.81	-101.04
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300005993338	1	43	-2.0	-115.86	349.39	6.16	-109.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=N2)=C1	REAL300005993388	0	54	-2.0	-131.25	431.82	9.83	-121.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300005993389	0	54	-2.0	-129.51	431.17	9.79	-119.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=N1	REAL300005993456	0	48	-2.0	-124.60	399.36	8.93	-115.67
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300005993461	0	45	-2.0	-128.42	378.03	7.98	-120.44
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300005993491	1	43	-2.0	-130.27	350.57	8.80	-121.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=N2)=C1	REAL300005993626	0	48	-2.0	-133.23	396.37	8.56	-124.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=N1	REAL300005993627	0	51	-2.0	-132.17	412.85	9.63	-122.54
CC1=C(CC(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300005993685	1	51	-2.0	-108.65	414.92	6.96	-101.69
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300005993740	0	38	-2.0	-96.97	333.06	7.25	-89.72
COC1=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300005993751	1	41	-2.0	-98.41	339.21	2.31	-96.10
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300005993825	0	41	-2.0	-100.08	335.99	5.53	-94.55
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300005993825	1	41	-2.0	-100.10	336.04	5.54	-94.56
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300005993855	0	38	-2.0	-97.93	326.22	7.14	-90.79
CCOC1=CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300005993859	1	45	-2.0	-102.38	377.90	8.23	-94.15
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300005993865	0	49	-2.0	-128.65	401.11	7.21	-121.44
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=CO1	REAL300005993880	1	42	-2.0	-99.17	362.18	2.39	-96.78
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300005994017	0	41	-2.0	-92.60	346.59	5.33	-87.27
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300005994017	1	41	-2.0	-92.60	346.66	5.34	-87.26
COCC1=NC=C(C(=O)N[C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300005994275	1	43	-2.0	-114.36	351.24	3.81	-110.55
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300005994317	1	46	-2.0	-116.72	365.63	6.81	-109.91
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300005994557	0	38	-2.0	-109.16	341.45	9.26	-99.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)O1	REAL300005996146	1	40	-2.0	-98.51	352.50	0.79	-97.72
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CS1	REAL300005996594	1	47	-2.0	-107.18	394.57	5.38	-101.80
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CN=C1	REAL300005997679	1	36	-2.0	-101.00	306.14	5.23	-95.77
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CN=C1	REAL300005997690	1	39	-2.0	-113.37	336.22	7.41	-105.96
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300005997724	0	36	-2.0	-97.38	303.62	3.27	-94.11
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300005997724	1	36	-2.0	-97.35	303.68	3.29	-94.06
CC(CC(=O)[O-])(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=CN=C1	REAL300005997795	0	42	-2.0	-104.47	361.11	3.13	-101.34
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CN=C1	REAL300005997820	1	41	-2.0	-110.44	338.95	4.53	-105.91
CC(CC(=O)[O-])(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CN=C1	REAL300005997857	1	35	-2.0	-103.86	294.98	3.32	-100.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300005997938	0	46	-2.0	-125.23	388.20	7.26	-117.97
CC(CC(=O)[O-])(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CN=C1	REAL300005997943	0	43	-2.0	-126.05	366.87	6.31	-119.74
CC(CC(=O)[O-])(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CN=C1	REAL300005997974	1	41	-2.0	-128.61	340.02	7.04	-121.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=N2)=C1	REAL300005998111	0	46	-2.0	-135.09	385.50	7.08	-128.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300005998112	0	49	-2.0	-131.86	401.71	7.98	-123.88
CC(CC(=O)[O-])(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CN=C1	REAL300005998223	0	36	-2.0	-97.03	321.93	5.59	-91.44
COC1=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)NC(=O)[N-]C1=O	REAL300005998235	1	39	-2.0	-99.21	328.28	0.69	-98.52
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300005998315	0	39	-2.0	-102.82	325.15	4.06	-98.76
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300005998315	1	39	-2.0	-102.87	325.20	4.07	-98.80
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CN=C1	REAL300005998347	0	36	-2.0	-98.46	315.93	5.71	-92.75
CCOC1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CC(Cl)=C1[O-]	REAL300005998351	1	43	-2.0	-102.28	366.77	6.57	-95.71
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CN=C3)=N2)C=C1	REAL300005998357	0	47	-2.0	-129.56	390.24	5.73	-123.83
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)=CO1	REAL300005998373	1	40	-2.0	-102.20	351.91	0.96	-101.24
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300005998514	0	39	-2.0	-92.41	335.73	3.85	-88.56
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300005998514	1	39	-2.0	-92.39	335.79	3.85	-88.54
CC(CC(=O)[O-])(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CN=C1	REAL300005998752	0	34	-2.0	-101.03	287.19	3.75	-97.28
COCC1=NC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CN=C2)C(=O)[N-]1	REAL300005998776	1	41	-2.0	-110.55	341.05	2.37	-108.18
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CN=C1	REAL300005998819	1	44	-2.0	-110.74	354.70	5.08	-105.66
CC(CC(=O)[O-])(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CN=C1	REAL300005999067	0	36	-2.0	-110.79	330.54	7.63	-103.16
CC1=C(CCC(=O)NC(C)(C(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300005999792	1	53	-2.0	-108.99	402.34	6.60	-102.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300006000321	1	45	-2.0	-116.52	368.42	9.65	-106.87
CC(C)C(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006000467	1	47	-2.0	-109.14	383.66	6.64	-102.50
CC(C)C(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006000468	1	47	-2.0	-117.49	385.63	6.70	-110.79
CC1=CC(C(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006000479	0	43	-2.0	-93.86	366.88	4.89	-88.97
CC(C)C(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300006000662	0	44	-2.0	-113.25	377.39	5.71	-107.54
CC(C)C(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006000680	1	46	-2.0	-97.98	370.30	2.91	-95.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C(C)C)O1	REAL300006000681	1	37	-2.0	-96.69	317.36	0.55	-96.14
CC(C)C(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300006000906	0	44	-2.0	-115.07	375.76	5.65	-109.42
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C(=O)[O-])C(C)C)=CS1	REAL300006001158	1	44	-2.0	-115.31	357.30	4.82	-110.49
CC1=C(CC(=O)NC(C)(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006001334	1	46	-2.0	-132.60	368.14	5.04	-127.56
CC(C)C(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006001464	1	47	-2.0	-102.98	383.81	6.64	-96.34
CC(C)C(C)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006001998	1	36	-2.0	-124.13	299.23	6.77	-117.36
CC(C)C(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006002066	0	39	-2.0	-105.53	324.14	2.80	-102.73
CC(C)C(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300006002112	1	46	-2.0	-99.54	380.67	4.92	-94.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N2)=C1	REAL300006002126	0	49	-2.0	-138.51	385.56	7.93	-130.58
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N2)C=C1	REAL300006002127	0	49	-2.0	-136.86	383.67	7.86	-129.00
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300006002173	0	43	-2.0	-133.38	351.22	6.96	-126.42
CC(C)C(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006002177	0	40	-2.0	-134.51	329.89	6.01	-128.50
CC(C)C(C)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006002193	1	38	-2.0	-138.52	303.05	6.39	-132.13
CC(C)C(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006002209	0	40	-2.0	-100.61	345.37	4.06	-96.55
CC(C)C(C)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006002241	0	32	-2.0	-104.64	286.42	3.87	-100.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N2)=C1	REAL300006002274	0	43	-2.0	-142.29	350.04	6.65	-135.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300006002275	0	46	-2.0	-140.45	364.74	7.67	-132.78
CC1=C(CC(=O)NC(C)(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006002303	1	46	-2.0	-131.63	369.23	5.05	-126.58
CC(C)C(C)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006002330	0	33	-2.0	-99.48	284.90	5.24	-94.24
CCOC1=CC(C(=O)NC(C)(C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300006002390	1	40	-2.0	-104.91	329.76	6.21	-98.70
CC(C)C(C)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006002393	0	43	-2.0	-141.49	353.38	7.38	-134.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C(C)C)=N2)C=C1	REAL300006002397	0	44	-2.0	-136.80	354.77	5.31	-131.49
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C(=O)[O-])C(C)C)=CO1	REAL300006002407	1	37	-2.0	-106.80	314.67	0.45	-106.35
CC(C)C(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006002502	0	36	-2.0	-92.26	300.26	3.38	-88.88
CC(C)C(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006002502	1	36	-2.0	-92.24	300.33	3.40	-88.84
CC(C)C(C)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006002705	1	41	-2.0	-112.22	317.87	4.68	-107.54
CC(C)C(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006002868	0	33	-2.0	-119.76	295.10	6.87	-112.89
CC12CC3(C)CC(NC(=O)C4=N[N-]C5=CC=CC=C5C4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300006003387	0	52	-2.0	-121.87	393.88	8.92	-112.95
CC12CC3(C)CC(NC(=O)C4=CC=C([O-])C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004675	1	48	-2.0	-108.12	363.51	7.33	-100.79
CC12CC3(C)CC(NC(=O)CCC4=N[N-]N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004726	0	48	-2.0	-106.35	360.97	5.38	-100.97
CC12CC3(C)CC(NC(=O)CCC4=NN=N[N-]4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004726	1	48	-2.0	-106.37	361.02	5.40	-100.97
CC12CC3(C)CC(NC(=O)C4=CN=C(C5CC5)[N-]C4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004789	1	53	-2.0	-110.36	396.32	6.88	-103.48
CC12CC3(C)CC(NC(=O)C4=CN=CC([O-])=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004803	1	47	-2.0	-115.43	352.34	5.43	-110.00
CC12CC3(C)CC(NC(=O)C4=C([O-])C5=CC=CC=C5C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006004877	1	53	-2.0	-138.19	397.65	9.32	-128.87
CC12CC3(C)CC(NC(=O)C4=CC(F)=C([O-])C(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005069	0	48	-2.0	-106.00	379.51	7.87	-98.13
COC1=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)NC(=O)[N-]C1=O	REAL300006005081	1	51	-2.0	-108.51	385.47	2.79	-105.72
CC12CC3(C)CC(NC(=O)CCCC4=N[N-]N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005138	0	51	-2.0	-118.09	382.46	6.16	-111.93
CC12CC3(C)CC(NC(=O)CCCC4=NN=N[N-]4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005138	1	51	-2.0	-118.06	382.53	6.18	-111.88
CC12CC3(C)CC(NC(=O)C4=CC=C([O-])C(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005161	0	48	-2.0	-105.66	373.31	7.82	-97.84
CC12CC3(C)CC(NC(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005266	0	51	-2.0	-98.23	393.05	5.96	-92.27
CC12CC3(C)CC(NC(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005266	1	51	-2.0	-98.23	393.12	5.97	-92.26
CC12CC3(C)CC(NC(=O)C4=C[N-]N=CC4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005411	0	46	-2.0	-101.62	344.56	5.86	-95.76
COCC1=NC=C(C(=O)NC23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(=O)[N-]1	REAL300006005427	1	53	-2.0	-109.59	398.42	4.47	-105.12
CC12CC3(C)CC(NC(=O)C4=CN=C(C5CCC5)[N-]C4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300006005458	1	56	-2.0	-109.29	412.17	7.44	-101.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)O1	REAL300006007013	1	38	-2.0	-97.06	360.41	2.55	-94.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=CS1	REAL300006007448	1	45	-2.0	-114.79	395.28	6.14	-108.65
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(F)=C1	REAL300006008516	1	34	-2.0	-99.63	314.06	6.70	-92.93
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC(F)=C1	REAL300006008527	1	37	-2.0	-115.88	337.25	8.50	-107.38
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300006008561	0	34	-2.0	-96.04	304.35	4.03	-92.01
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300006008561	1	34	-2.0	-96.00	304.41	4.05	-91.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300006008630	0	40	-2.0	-99.76	362.22	4.07	-95.69
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(F)=C1	REAL300006008690	1	33	-2.0	-102.69	295.86	4.10	-98.59
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC(F)=C1	REAL300006008773	0	41	-2.0	-124.77	375.05	7.97	-116.80
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(F)=C1	REAL300006008804	1	39	-2.0	-126.93	341.05	8.13	-118.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=N1	REAL300006008941	0	47	-2.0	-130.78	409.98	9.74	-121.04
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(F)=C1	REAL300006009051	0	34	-2.0	-95.80	329.91	7.36	-88.44
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)NC(=O)[N-]C1=O	REAL300006009063	1	37	-2.0	-97.86	336.14	2.32	-95.54
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300006009141	0	37	-2.0	-101.94	332.73	5.63	-96.31
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300006009141	1	37	-2.0	-101.97	332.79	5.64	-96.33
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(F)=C1	REAL300006009173	0	34	-2.0	-97.10	323.86	7.19	-89.91
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=CC(Cl)=C1[O-]	REAL300006009176	1	41	-2.0	-101.12	374.76	8.33	-92.79
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC(F)=C3)=N2)C=C1	REAL300006009182	0	45	-2.0	-126.82	397.95	7.32	-119.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)=CO1	REAL300006009198	1	38	-2.0	-103.89	352.85	1.76	-102.13
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=C1	REAL300006009339	0	37	-2.0	-88.70	336.45	4.61	-84.09
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=C1	REAL300006009339	1	37	-2.0	-88.67	336.52	4.61	-84.06
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(F)=C1	REAL300006009571	0	32	-2.0	-92.18	288.17	4.55	-87.63
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(F)=C2)C(=O)[N-]1	REAL300006009594	1	39	-2.0	-111.65	341.09	4.31	-107.34
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(F)=C1	REAL300006009878	0	34	-2.0	-110.98	331.50	8.57	-102.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=C1	REAL300006011431	0	41	-2.0	-103.41	353.19	4.67	-98.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006011729	0	41	-2.0	-102.41	356.33	4.89	-97.52
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300006011774	1	43	-2.0	-112.27	376.00	10.24	-102.03
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006012204	1	44	-2.0	-105.58	377.37	3.48	-102.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)O1	REAL300006012205	1	35	-2.0	-103.93	321.91	1.08	-102.85
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006012474	0	38	-2.0	-100.90	334.87	3.99	-96.91
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=CS1	REAL300006012824	1	42	-2.0	-101.79	366.88	5.60	-96.19
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006013060	0	38	-2.0	-96.17	340.78	4.04	-92.13
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC(F)(F)C1	REAL300006013066	0	44	-2.0	-102.98	377.83	5.67	-97.31
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC(F)(F)C1	REAL300006014207	1	31	-2.0	-91.76	278.46	5.08	-86.68
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC(F)(F)C1	REAL300006014218	1	34	-2.0	-104.47	311.99	6.42	-98.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C=N1	REAL300006014325	0	37	-2.0	-96.47	332.97	3.17	-93.30
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=N2)=C1	REAL300006014419	0	47	-2.0	-113.95	389.98	8.78	-105.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=N2)C=C1	REAL300006014420	0	47	-2.0	-112.58	389.56	8.74	-103.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=N1	REAL300006014515	0	41	-2.0	-110.32	361.82	7.29	-103.03
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC(F)(F)C1	REAL300006014520	0	38	-2.0	-111.10	336.13	6.93	-104.17
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC(F)(F)C1	REAL300006014558	1	36	-2.0	-107.94	308.50	7.97	-99.97
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=N2)=C1	REAL300006014724	0	41	-2.0	-116.99	354.11	7.48	-109.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=N1	REAL300006014725	0	44	-2.0	-111.48	375.39	8.08	-103.40
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC(F)(F)C1	REAL300006014862	0	31	-2.0	-87.09	293.91	5.62	-81.47
COC1=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)NC(=O)[N-]C1=O	REAL300006014878	1	34	-2.0	-87.09	306.56	-0.42	-87.51
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL300006014979	0	34	-2.0	-97.07	297.21	4.27	-92.80
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL300006014979	1	34	-2.0	-97.08	297.27	4.28	-92.80
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC(F)(F)C1	REAL300006015015	0	31	-2.0	-88.47	288.23	5.56	-82.91
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=CC(Cl)=C1[O-]	REAL300006015018	1	38	-2.0	-97.11	339.37	6.62	-90.49
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC(F)(F)C3)=N2)C=C1	REAL300006015028	0	42	-2.0	-112.89	359.23	6.17	-106.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)=CO1	REAL300006015052	1	35	-2.0	-93.71	321.32	0.94	-92.77
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL300006015218	0	34	-2.0	-87.84	305.11	4.48	-83.36
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL300006015218	1	34	-2.0	-87.80	305.17	4.48	-83.32
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(=O)[N-]1	REAL300006015550	1	36	-2.0	-102.00	319.83	2.13	-99.87
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC(F)(F)C1	REAL300006015919	0	31	-2.0	-95.43	302.45	7.24	-88.19
CC1=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300006016232	0	39	-2.0	-108.10	345.11	4.77	-103.33
CC1=C(C(=O)N2CC(C(=O)[O-])CC(F)(F)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006016232	1	39	-2.0	-108.10	345.11	4.77	-103.33
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC(F)(F)C1	REAL300006018436	1	41	-2.0	-103.81	335.25	7.27	-96.54
O=C([O-])C1(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300006018507	0	41	-2.0	-91.48	333.49	5.69	-85.79
O=C([O-])C1(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300006018507	1	41	-2.0	-91.51	333.55	5.71	-85.80
O=C([O-])C1(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)CC(F)(F)C1	REAL300006018600	1	40	-2.0	-99.53	320.26	5.28	-94.25
O=C([O-])C1(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)CC(F)(F)C1	REAL300006018710	1	46	-2.0	-137.56	369.53	9.47	-128.09
O=C([O-])C1(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)CC(F)(F)C1	REAL300006018951	0	41	-2.0	-101.33	351.23	7.82	-93.51
COC1=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)NC(=O)[N-]C1=O	REAL300006018970	1	44	-2.0	-100.81	362.97	1.75	-99.06
O=C([O-])C1(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300006019050	0	44	-2.0	-115.27	354.92	6.48	-108.79
O=C([O-])C1(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300006019050	1	44	-2.0	-115.26	354.97	6.50	-108.76
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)CC(F)(F)C1	REAL300006019079	0	41	-2.0	-101.62	345.09	7.75	-93.87
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC(F)(F)C1	REAL300006019213	0	44	-2.0	-80.46	362.18	6.65	-73.81
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC(F)(F)C1	REAL300006019213	1	44	-2.0	-80.45	362.25	6.66	-73.79
O=C([O-])C1(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)CC(F)(F)C1	REAL300006019401	0	39	-2.0	-104.15	322.65	5.75	-98.40
COCC1=NC=C(C(=O)N2CCCC(C3(C(=O)[O-])CC(F)(F)C3)C2)C(=O)[N-]1	REAL300006019425	1	46	-2.0	-91.30	365.09	4.19	-87.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)O1	REAL300006021651	1	44	-2.0	-90.47	367.99	2.18	-88.29
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=CS1	REAL300006022117	1	51	-2.0	-112.01	409.71	6.59	-105.42
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006022300	1	53	-2.0	-115.79	419.66	6.73	-109.06
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCC1	REAL300006023189	1	40	-2.0	-102.38	323.91	6.83	-95.55
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300006023199	1	43	-2.0	-114.24	351.67	8.94	-105.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C=N1	REAL300006023283	0	46	-2.0	-98.58	376.59	4.52	-94.06
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300006023308	1	45	-2.0	-114.25	351.59	7.00	-107.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300006023357	0	56	-2.0	-127.37	436.39	9.97	-117.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300006023358	0	56	-2.0	-124.20	436.11	9.54	-114.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=N1	REAL300006023424	0	50	-2.0	-120.29	398.38	8.70	-111.59
O=C([O-])C[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300006023429	0	47	-2.0	-121.16	382.54	8.11	-113.05
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300006023458	1	45	-2.0	-126.06	355.50	8.56	-117.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300006023591	0	50	-2.0	-129.02	400.67	8.28	-120.74
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=N1	REAL300006023592	0	53	-2.0	-128.10	417.73	9.75	-118.35
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006023650	1	53	-2.0	-114.17	419.84	6.72	-107.45
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300006023705	0	40	-2.0	-94.30	337.35	6.98	-87.32
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300006023716	1	43	-2.0	-104.56	341.55	2.63	-101.93
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300006023790	0	43	-2.0	-105.51	340.28	5.25	-100.26
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300006023790	1	43	-2.0	-105.54	340.34	5.28	-100.26
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCC1	REAL300006023820	0	40	-2.0	-99.94	333.70	7.32	-92.62
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300006023824	1	47	-2.0	-104.65	384.76	8.36	-96.29
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300006023830	0	51	-2.0	-124.07	405.40	6.93	-117.14
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)=CO1	REAL300006023845	1	44	-2.0	-101.88	367.12	2.15	-99.73
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300006023979	0	43	-2.0	-87.44	350.89	5.05	-82.39
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300006023979	1	43	-2.0	-87.39	350.97	5.05	-82.34
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)C(=O)[N-]1	REAL300006024235	1	45	-2.0	-113.45	353.43	4.65	-108.80
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCC1	REAL300006024277	1	48	-2.0	-114.42	367.34	7.54	-106.88
O=C([O-])C[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300006024515	0	40	-2.0	-114.56	348.32	9.37	-105.19
CC1=C(CCC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006025226	1	49	-2.0	-119.89	391.24	8.43	-111.46
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006025747	1	41	-2.0	-139.15	353.21	11.31	-127.84
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006025895	1	43	-2.0	-114.89	366.80	8.01	-106.88
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006025896	1	43	-2.0	-128.25	368.14	7.98	-120.27
CC1=CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006025907	0	39	-2.0	-100.87	348.89	6.18	-94.69
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006026088	0	40	-2.0	-113.11	358.73	7.01	-106.10
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006026106	1	42	-2.0	-102.42	355.10	4.75	-97.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006026107	1	33	-2.0	-101.10	300.33	2.30	-98.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006026331	0	40	-2.0	-126.33	360.09	6.99	-119.34
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CS1	REAL300006026577	1	40	-2.0	-131.11	345.06	6.62	-124.49
CC1=C(CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006026745	1	42	-2.0	-139.67	355.86	6.82	-132.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006026872	1	43	-2.0	-109.87	366.95	8.00	-101.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006027375	1	32	-2.0	-139.34	284.29	7.94	-131.40
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006027439	0	35	-2.0	-111.80	308.80	4.04	-107.76
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006027484	1	42	-2.0	-107.10	363.16	6.21	-100.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006027498	0	45	-2.0	-148.66	368.76	9.79	-138.87
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006027499	0	45	-2.0	-147.74	368.75	9.80	-137.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006027544	0	39	-2.0	-144.41	336.30	8.87	-135.54
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006027548	0	36	-2.0	-145.20	314.97	7.94	-137.26
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006027576	0	36	-2.0	-112.03	329.68	5.42	-106.61
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006027606	0	28	-2.0	-114.53	268.93	5.08	-109.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006027638	0	39	-2.0	-153.16	333.31	8.52	-144.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006027639	0	42	-2.0	-151.53	336.20	9.09	-142.44
CC1=C(CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006027663	1	42	-2.0	-137.99	355.18	6.77	-131.22
CCOC1=CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006027737	1	36	-2.0	-112.62	313.63	7.58	-105.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006027740	0	39	-2.0	-150.74	327.76	8.78	-141.96
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006027744	0	40	-2.0	-147.37	338.03	7.18	-140.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CO1	REAL300006027754	1	33	-2.0	-115.56	296.39	1.91	-113.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006027844	0	32	-2.0	-98.26	282.56	5.57	-92.69
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006027844	1	32	-2.0	-98.27	282.62	5.57	-92.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006028035	1	37	-2.0	-115.38	302.35	5.99	-109.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006028183	0	29	-2.0	-130.88	279.18	7.89	-122.99
CC1=C(CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006028713	1	51	-2.0	-102.31	407.12	6.77	-95.54
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300006029061	0	41	-2.0	-109.55	349.26	4.59	-104.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006029371	0	41	-2.0	-110.10	346.23	5.28	-104.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300006029417	1	43	-2.0	-104.58	371.37	9.72	-94.86
O=C([O-])C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300006029599	1	45	-2.0	-106.31	388.43	6.81	-99.50
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300006029600	1	45	-2.0	-108.29	388.60	6.81	-101.48
CC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006029613	0	41	-2.0	-89.89	369.85	4.99	-84.90
O=C([O-])C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300006029845	0	42	-2.0	-104.44	380.35	5.82	-98.62
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300006029863	1	44	-2.0	-99.32	375.08	3.07	-96.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300006029864	1	35	-2.0	-97.66	320.31	0.62	-97.04
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300006030104	0	45	-2.0	-120.89	383.97	2.82	-118.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006030150	0	38	-2.0	-108.64	327.87	3.91	-104.73
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300006030158	0	42	-2.0	-106.53	380.54	5.81	-100.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)=CS1	REAL300006030510	1	42	-2.0	-108.51	362.07	5.01	-103.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006030718	0	38	-2.0	-102.63	334.28	3.98	-98.65
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006030725	1	44	-2.0	-122.14	372.93	5.21	-116.93
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006030730	0	44	-2.0	-110.69	367.73	6.07	-104.62
CC1=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006030792	1	44	-2.0	-111.26	351.96	5.42	-105.84
O=C([O-])C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300006030891	1	45	-2.0	-97.67	388.60	6.80	-90.87
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300006031440	0	44	-2.0	-113.54	373.76	6.16	-107.38
O=C([O-])C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300006031609	1	34	-2.0	-110.48	304.00	7.28	-103.20
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300006031696	0	37	-2.0	-103.05	328.92	2.95	-100.10
O=C([O-])C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CC1	REAL300006031757	1	44	-2.0	-93.70	383.64	5.03	-88.67
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)=C1	REAL300006031772	0	47	-2.0	-128.45	388.52	7.97	-120.48
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)C=C1	REAL300006031773	0	47	-2.0	-126.36	388.45	7.97	-118.39
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300006031842	0	41	-2.0	-122.61	355.98	7.08	-115.53
O=C([O-])C[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300006031846	0	38	-2.0	-123.20	334.67	6.12	-117.08
O=C([O-])C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300006031867	1	36	-2.0	-126.27	307.83	6.90	-119.37
O=C([O-])C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300006031885	0	38	-2.0	-91.50	350.14	4.24	-87.26
O=C([O-])C[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300006031923	0	30	-2.0	-96.28	289.39	3.96	-92.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)=C1	REAL300006031972	0	41	-2.0	-130.84	353.01	6.70	-124.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300006031973	0	44	-2.0	-129.18	369.50	7.79	-121.39
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006032014	1	44	-2.0	-120.84	372.20	5.16	-115.68
O=C([O-])C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300006032046	0	31	-2.0	-94.73	286.58	5.88	-88.85
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300006032130	1	38	-2.0	-100.15	331.42	6.86	-93.29
O=C([O-])C[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300006032134	0	41	-2.0	-132.29	358.15	7.49	-124.80
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3CC3)=N2)C=C1	REAL300006032141	0	42	-2.0	-126.05	357.74	5.35	-120.70
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)=CO1	REAL300006032158	1	35	-2.0	-97.79	319.46	0.59	-97.20
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300006032278	0	34	-2.0	-89.97	303.23	3.50	-86.47
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300006032278	1	34	-2.0	-89.96	303.29	3.50	-86.46
O=C([O-])C[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300006032538	1	39	-2.0	-109.99	322.22	4.92	-105.07
O=C([O-])C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300006032741	0	31	-2.0	-106.81	294.97	7.78	-99.03
CC1=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006032964	0	39	-2.0	-114.21	332.63	4.52	-109.69
CC1=C(CCC(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)NC(N2CCOCC2)=N1	REAL300006033413	0	56	-2.0	-101.64	434.45	7.52	-94.12
CC1=C(CCC(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006033413	1	56	-2.0	-101.64	434.45	7.52	-94.12
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300006033768	0	46	-2.0	-116.73	378.80	5.24	-111.49
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300006034078	0	46	-2.0	-109.99	376.56	5.54	-104.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300006034128	1	48	-2.0	-118.09	403.20	10.15	-107.94
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006034580	1	49	-2.0	-90.34	407.44	3.37	-86.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)O1	REAL300006034581	1	40	-2.0	-89.44	351.66	1.02	-88.42
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300006034812	0	50	-2.0	-116.10	414.94	3.21	-112.89
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006034858	0	43	-2.0	-108.83	359.67	4.28	-104.55
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006035230	1	47	-2.0	-109.66	393.72	5.38	-104.28
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006035467	0	43	-2.0	-101.72	365.95	4.34	-97.38
CC1=C(CC(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006035470	1	49	-2.0	-114.83	401.48	5.80	-109.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300006035473	0	49	-2.0	-110.58	398.06	6.33	-104.25
CC1=C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006035544	1	49	-2.0	-114.89	380.91	6.71	-108.18
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006036308	0	49	-2.0	-122.05	403.56	6.83	-115.22
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006036502	1	39	-2.0	-111.23	335.86	7.78	-103.45
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006036603	0	42	-2.0	-106.31	359.20	3.74	-102.57
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006036633	1	41	-2.0	-98.10	337.28	4.69	-93.41
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006036687	0	52	-2.0	-122.86	420.16	8.34	-114.52
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006036688	0	52	-2.0	-125.67	415.78	8.73	-116.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300006036766	0	46	-2.0	-118.49	387.25	7.49	-111.00
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006036771	0	43	-2.0	-119.99	365.75	6.50	-113.49
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006036797	1	41	-2.0	-123.09	339.49	7.37	-115.72
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006036817	0	43	-2.0	-97.28	379.63	4.85	-92.43
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006036866	0	35	-2.0	-103.65	319.67	4.76	-98.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=N2)=C1	REAL300006036931	0	46	-2.0	-125.98	384.77	7.18	-118.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300006036932	0	49	-2.0	-123.40	394.16	8.27	-115.13
CC1=C(CC(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006036992	1	49	-2.0	-112.69	401.67	5.79	-106.90
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006037037	0	36	-2.0	-98.44	319.17	6.02	-92.42
COC1=C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)NC(=O)[N-]C1=O	REAL300006037045	1	39	-2.0	-103.87	323.44	1.34	-102.53
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300006037151	1	43	-2.0	-103.84	364.02	7.00	-96.84
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006037155	0	46	-2.0	-125.66	389.51	7.89	-117.77
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300006037163	0	47	-2.0	-125.24	385.07	6.12	-119.12
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])CC(C)C)=CO1	REAL300006037183	1	40	-2.0	-106.14	349.73	1.40	-104.74
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006037314	0	39	-2.0	-85.87	334.57	3.91	-81.96
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006037314	1	39	-2.0	-85.86	334.64	3.90	-81.96
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]1	REAL300006037591	1	41	-2.0	-112.48	336.95	3.41	-109.07
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006037632	1	44	-2.0	-98.22	353.25	5.29	-92.93
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006037892	0	36	-2.0	-106.76	329.93	7.82	-98.94
CC1=C(C(=O)N[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006038152	0	44	-2.0	-117.61	361.17	5.81	-111.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)O1	REAL300006039397	1	42	-2.0	-97.94	379.91	-0.95	-98.89
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CCO2)N=N1	REAL300006040743	1	38	-2.0	-102.18	335.72	3.01	-99.17
O=C([O-])C1=CN(CC2CN(C(=O)CCC3=NN=N[N-]3)CCO2)N=N1	REAL300006040815	0	38	-2.0	-96.55	335.42	1.35	-95.20
O=C([O-])C1=CN(CC2CN(C(=O)CCC3=N[N-]N=N3)CCO2)N=N1	REAL300006040815	1	38	-2.0	-96.59	335.37	1.33	-95.26
O=C([O-])C1=CN(CC2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CCO2)N=N1	REAL300006040899	1	43	-2.0	-97.28	368.26	2.33	-94.95
O=C([O-])C1=CN(CC2CN(C(=O)C3=CN=CC([O-])=C3)CCO2)N=N1	REAL300006040921	1	37	-2.0	-102.71	324.33	1.04	-101.67
O=C([O-])C1=CN(CC2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCO2)N=N1	REAL300006041044	1	43	-2.0	-114.29	369.05	5.86	-108.43
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCO2)N=N1	REAL300006041304	0	38	-2.0	-97.16	351.87	3.41	-93.75
COC1=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)NC(=O)[N-]C1=O	REAL300006041323	1	41	-2.0	-99.14	366.30	-2.59	-101.73
O=C([O-])C1=CN(CC2CN(C(=O)CCCC3=NN=N[N-]3)CCO2)N=N1	REAL300006041412	0	41	-2.0	-103.56	356.89	2.12	-101.44
O=C([O-])C1=CN(CC2CN(C(=O)CCCC3=N[N-]N=N3)CCO2)N=N1	REAL300006041412	1	41	-2.0	-103.57	356.83	2.11	-101.46
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CCO2)N=N1	REAL300006041444	0	38	-2.0	-98.17	345.52	3.50	-94.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)=CO1	REAL300006041474	1	42	-2.0	-97.12	378.87	-1.17	-98.29
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCO2)N=N1	REAL300006041594	0	41	-2.0	-93.26	362.98	2.50	-90.76
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCO2)N=N1	REAL300006041594	1	41	-2.0	-93.26	362.92	2.49	-90.77
O=C([O-])C1=CN(CC2CN(C(=O)C3=C[N-]N=CC3=O)CCO2)N=N1	REAL300006041806	0	36	-2.0	-93.72	324.82	1.39	-92.33
COCC1=NC=C(C(=O)N2CCOC(CN3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]1	REAL300006041835	1	43	-2.0	-97.05	370.11	-0.01	-97.06
O=C([O-])C1=CN(CC2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCO2)N=N1	REAL300006041875	1	46	-2.0	-97.46	385.09	2.97	-94.49
CC1=C(CCC(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006043256	1	56	-2.0	-114.32	434.11	7.60	-106.72
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=C1	REAL300006043611	0	46	-2.0	-110.75	376.29	5.43	-105.32
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])CC(C)C	REAL300006043921	0	46	-2.0	-110.26	381.18	5.21	-105.05
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(=O)[O-])CC(C)C)C=C1	REAL300006043971	1	48	-2.0	-123.42	398.85	10.49	-112.93
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006044423	1	49	-2.0	-100.76	403.99	4.14	-96.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)O1	REAL300006044424	1	40	-2.0	-89.12	351.70	1.00	-88.12
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=C1	REAL300006044655	0	50	-2.0	-127.35	413.72	3.81	-123.54
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006044701	0	43	-2.0	-109.76	354.90	4.76	-105.00
CC(C)C[C@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006045073	1	47	-2.0	-119.45	392.12	6.00	-113.45
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006045310	0	43	-2.0	-110.04	364.55	4.66	-105.38
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006045313	1	49	-2.0	-133.93	402.05	6.15	-127.78
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC(=O)[O-])CC(C)C	REAL300006045316	0	49	-2.0	-110.88	402.68	6.00	-104.88
CC1=C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006045387	1	49	-2.0	-98.92	384.02	5.83	-93.09
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006046151	0	49	-2.0	-125.00	404.06	7.16	-117.84
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006046345	1	39	-2.0	-122.99	334.31	8.18	-114.81
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006046446	0	42	-2.0	-96.86	360.88	3.41	-93.45
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006046476	1	41	-2.0	-113.03	334.60	5.73	-107.30
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006046530	0	52	-2.0	-122.34	420.48	8.40	-113.94
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006046531	0	52	-2.0	-121.16	420.06	8.38	-112.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=N1	REAL300006046609	0	46	-2.0	-120.48	377.73	7.84	-112.64
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006046614	0	43	-2.0	-119.43	366.47	6.61	-112.82
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006046640	1	41	-2.0	-123.10	339.21	7.38	-115.72
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006046660	0	43	-2.0	-100.73	380.45	5.23	-95.50
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006046709	0	35	-2.0	-95.04	320.77	4.33	-90.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=N2)=C1	REAL300006046774	0	46	-2.0	-125.96	384.97	7.13	-118.83
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=N1	REAL300006046775	0	49	-2.0	-139.96	392.63	9.01	-130.95
CC1=C(CC(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006046835	1	49	-2.0	-133.44	402.48	6.15	-127.29
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006046880	0	36	-2.0	-101.28	319.75	6.41	-94.87
COC1=C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)NC(=O)[N-]C1=O	REAL300006046888	1	39	-2.0	-104.82	324.08	1.40	-103.42
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300006046994	1	43	-2.0	-100.74	361.56	7.23	-93.51
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006046998	0	46	-2.0	-139.65	388.43	8.18	-131.47
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300006047006	0	47	-2.0	-120.99	389.35	5.76	-115.23
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)=CO1	REAL300006047026	1	40	-2.0	-105.34	349.54	1.32	-104.02
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006047157	0	39	-2.0	-85.73	335.17	3.96	-81.77
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006047157	1	39	-2.0	-85.72	335.24	3.96	-81.76
COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]1	REAL300006047434	1	41	-2.0	-112.28	336.44	3.37	-108.91
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006047475	1	44	-2.0	-113.19	350.35	6.28	-106.91
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006047735	0	36	-2.0	-107.39	329.47	7.79	-99.60
CC1=C(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006047995	0	44	-2.0	-101.79	364.28	4.89	-96.90
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])=C1	REAL300006049119	0	41	-2.0	-124.41	363.71	4.13	-120.28
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])=C1	REAL300006049119	1	41	-2.0	-118.43	365.22	3.63	-114.80
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006049434	0	41	-2.0	-125.01	363.54	4.43	-120.58
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006049434	1	41	-2.0	-119.50	365.29	3.86	-115.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006050201	0	38	-2.0	-123.23	342.07	3.53	-119.70
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006050201	1	38	-2.0	-117.72	343.59	3.02	-114.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006050806	0	38	-2.0	-116.00	348.49	3.59	-112.41
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006050806	1	38	-2.0	-109.72	350.24	3.02	-106.70
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CNC=N1)C(=O)[O-]	REAL300006050812	0	44	-2.0	-125.83	385.28	5.16	-120.67
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]	REAL300006050812	1	44	-2.0	-120.11	386.79	4.65	-115.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])C=N1	REAL300006052031	0	37	-2.0	-112.13	343.14	2.57	-109.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC3=CNC=N3)C(=O)[O-])=N2)=C1	REAL300006052122	0	47	-2.0	-143.45	402.96	7.55	-135.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC3=CN=CN3)C(=O)[O-])=N2)=C1	REAL300006052122	1	47	-2.0	-132.78	404.47	7.01	-125.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC3=CNC=N3)C(=O)[O-])=N2)C=C1	REAL300006052123	0	47	-2.0	-141.55	402.65	7.60	-133.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC3=CN=CN3)C(=O)[O-])=N2)C=C1	REAL300006052123	1	47	-2.0	-131.78	404.41	7.01	-124.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC2=CNC=N2)C(=O)[O-])=N1	REAL300006052213	0	41	-2.0	-137.52	370.19	6.71	-130.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])=N1	REAL300006052213	1	41	-2.0	-128.22	366.28	6.15	-122.07
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006052218	0	38	-2.0	-138.23	348.87	5.75	-132.48
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006052218	1	38	-2.0	-129.74	350.62	5.16	-124.58
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CCOC1=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006069637	1	41	-2.0	-106.76	361.27	4.21	-102.55
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C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])=CO1	REAL300006069659	1	38	-2.0	-109.00	344.28	-1.47	-110.47
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006069800	0	37	-2.0	-92.83	329.95	2.21	-90.62
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COCC1=NC=C(C(=O)N2CCCC2C2=NNN=C2C(=O)[O-])C(=O)[N-]1	REAL300006070060	1	39	-2.0	-111.21	325.06	-0.87	-112.08
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006070103	1	42	-2.0	-118.17	359.03	2.75	-115.42
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CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006072030	1	46	-2.0	-94.61	387.06	3.53	-91.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)O1	REAL300006072031	1	37	-2.0	-94.94	336.71	1.50	-93.44
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)=CS1	REAL300006072514	1	44	-2.0	-108.35	380.97	5.49	-102.86
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CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C(=O)[O-])C1=CC=CN=C1	REAL300006073623	1	36	-2.0	-116.72	316.55	7.05	-109.67
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CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CN=C3)=N2)C=C1	REAL300006073786	0	49	-2.0	-125.04	400.94	8.57	-116.47
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CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C(=O)[O-])C1=CC=CN=C1	REAL300006073857	0	40	-2.0	-123.73	346.85	6.68	-117.05
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006073887	1	38	-2.0	-128.10	320.25	7.90	-120.20
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CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300006074024	0	46	-2.0	-128.62	382.46	8.32	-120.30
CC1=C(CC(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006074082	1	46	-2.0	-119.51	387.49	5.50	-114.01
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074137	0	33	-2.0	-94.99	302.54	5.30	-89.69
COC1=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)NC(=O)[N-]C1=O	REAL300006074147	1	36	-2.0	-94.52	317.32	-0.57	-95.09
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074223	0	36	-2.0	-101.04	307.99	4.03	-97.01
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074223	1	36	-2.0	-101.06	308.05	4.05	-97.01
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074252	0	33	-2.0	-97.21	296.88	5.34	-91.87
CCOC1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)=CC(Cl)=C1[O-]	REAL300006074256	1	40	-2.0	-100.07	347.93	6.39	-93.68
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CN=C3)=N2)C=C1	REAL300006074262	0	44	-2.0	-125.03	370.61	5.95	-119.08
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)=CO1	REAL300006074277	1	37	-2.0	-95.80	332.11	1.30	-94.50
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074413	0	36	-2.0	-88.72	315.97	4.43	-84.29
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074413	1	36	-2.0	-88.71	316.04	4.45	-84.26
COCC1=NC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CN=C2)C(=O)[N-]1	REAL300006074671	1	38	-2.0	-108.42	334.03	2.08	-106.34
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C(=O)[O-])C1=CC=CN=C1	REAL300006074713	1	41	-2.0	-116.55	344.94	4.80	-111.75
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C(=O)[O-])C1=CC=CN=C1	REAL300006074954	0	33	-2.0	-105.24	315.80	7.35	-97.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])N=CN2)=C1	REAL300006076085	0	38	-2.0	-117.43	342.23	2.29	-115.14
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])N=CN1	REAL300006076398	0	38	-2.0	-118.19	342.33	2.51	-115.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=C(C(=O)[O-])N=CN2)C=C1	REAL300006076447	1	40	-2.0	-131.73	364.67	7.44	-124.29
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)O1	REAL300006076897	1	41	-2.0	-110.19	368.74	0.71	-109.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)O1	REAL300006076898	1	32	-2.0	-109.24	313.28	-1.70	-110.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])N=CN2)=C1	REAL300006077131	0	42	-2.0	-123.59	376.95	0.52	-123.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])N=CN1	REAL300006077176	0	35	-2.0	-116.69	320.86	1.61	-115.08
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=C(C(=O)[O-])N=CN2)=CS1	REAL300006077551	1	39	-2.0	-111.95	355.03	2.72	-109.23
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=C(C(=O)[O-])N=CN1	REAL300006077785	0	35	-2.0	-111.09	327.25	1.68	-109.41
CC1=C(CC(=O)NCC2=C(C(=O)[O-])N=CN2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006077791	1	41	-2.0	-116.25	365.88	2.92	-113.33
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])N=CN1	REAL300006077796	0	41	-2.0	-118.64	363.81	3.30	-115.34
CC1=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006077866	1	41	-2.0	-121.20	345.21	3.10	-118.10
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=C(C(=O)[O-])N=CN1	REAL300006078595	0	41	-2.0	-121.06	366.72	3.86	-117.20
O=C([O-])C1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])NC=N1	REAL300006078787	1	31	-2.0	-117.04	296.98	5.09	-111.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)C=N1	REAL300006078885	0	34	-2.0	-113.11	321.90	0.63	-112.48
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)NC=N1	REAL300006078915	1	33	-2.0	-119.19	299.72	2.05	-117.14
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])N=CN3)=N2)=C1	REAL300006078970	0	44	-2.0	-134.47	381.49	5.68	-128.79
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])N=CN3)=N2)C=C1	REAL300006078971	0	44	-2.0	-132.33	381.44	5.68	-126.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])N=CN2)=N1	REAL300006079045	0	38	-2.0	-128.21	348.99	4.79	-123.42
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])NC=N1	REAL300006079049	0	35	-2.0	-129.05	327.64	3.83	-125.22
O=C([O-])C1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)NC=N1	REAL300006079073	1	33	-2.0	-132.44	300.81	4.71	-127.73
O=C([O-])C1=C(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)NC=N1	REAL300006079092	0	35	-2.0	-100.38	343.13	1.94	-98.44
O=C([O-])C1=C(CNC(=O)C2=CN=C(I)C([O-])=C2)NC=N1	REAL300006079141	0	27	-2.0	-104.86	282.37	1.67	-103.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])N=CN3)=N2)=C1	REAL300006079203	0	38	-2.0	-136.59	345.99	4.41	-132.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])N=CN2)=N1	REAL300006079204	0	41	-2.0	-134.19	355.51	5.55	-128.64
O=C([O-])C1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)NC=N1	REAL300006079301	0	28	-2.0	-104.53	282.68	3.10	-101.43
COC1=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)NC(=O)[N-]C1=O	REAL300006079309	1	31	-2.0	-106.68	288.81	-1.82	-108.50
CCOC1=CC(C(=O)NCC2=C(C(=O)[O-])N=CN2)=CC(Cl)=C1[O-]	REAL300006079413	1	35	-2.0	-109.87	327.52	4.07	-105.80
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])NC=N1	REAL300006079417	0	38	-2.0	-138.75	351.14	5.20	-133.55
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])N=CN3)=N2)C=C1	REAL300006079425	0	39	-2.0	-132.11	350.70	3.06	-129.05
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C(=O)[O-])N=CN2)=CO1	REAL300006079446	1	32	-2.0	-107.58	312.43	-1.71	-109.29
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC=N1	REAL300006079572	0	31	-2.0	-100.87	296.21	1.19	-99.68
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC=N1	REAL300006079572	1	31	-2.0	-100.85	296.28	1.19	-99.66
COCC1=NC=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)C(=O)[N-]1	REAL300006079838	1	33	-2.0	-117.40	301.55	-0.31	-117.71
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)NC=N1	REAL300006079875	1	36	-2.0	-119.33	315.47	2.60	-116.73
O=C([O-])C1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])NC=N1	REAL300006080131	0	28	-2.0	-114.01	291.05	5.13	-108.88
CC1=C(C(=O)NCC2=C(C(=O)[O-])N=CN2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006080388	0	36	-2.0	-123.57	325.18	2.19	-121.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)O1	REAL300006081769	1	42	-2.0	-116.80	370.41	1.70	-115.10
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(N2C=CC(C(=O)[O-])=N2)C1	REAL300006081959	0	45	-2.0	-113.53	380.77	4.63	-108.90
CC1=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006082491	1	51	-2.0	-114.74	415.53	6.02	-108.72
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C=C1	REAL300006083488	1	38	-2.0	-105.38	326.77	5.70	-99.68
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)C=C1	REAL300006083501	1	41	-2.0	-115.77	356.74	7.82	-107.95
O=C([O-])C1=NN(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300006083557	0	38	-2.0	-100.10	324.40	4.14	-95.96
O=C([O-])C1=NN(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300006083557	1	38	-2.0	-100.07	324.34	4.12	-95.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C=N1	REAL300006083637	0	44	-2.0	-109.60	382.52	3.85	-105.75
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C=C1	REAL300006083668	1	43	-2.0	-102.30	358.63	4.97	-97.33
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)C=C1	REAL300006083707	1	37	-2.0	-106.60	315.97	3.75	-102.85
O=C([O-])C1=NN(C2CCCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2)C=C1	REAL300006083819	0	45	-2.0	-120.03	384.80	7.55	-112.48
O=C([O-])C1=NN(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)C=C1	REAL300006083865	1	43	-2.0	-121.73	360.73	8.09	-113.64
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)C=C1	REAL300006084153	0	38	-2.0	-99.87	343.39	6.27	-93.60
COC1=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)NC(=O)[N-]C1=O	REAL300006084172	1	41	-2.0	-101.64	354.82	0.20	-101.44
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300006084268	0	41	-2.0	-117.16	346.27	4.95	-112.21
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300006084268	1	41	-2.0	-117.12	346.21	4.93	-112.19
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C=C1	REAL300006084303	0	38	-2.0	-101.30	336.57	6.18	-95.12
CCOC1=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=CC(Cl)=C1[O-]	REAL300006084307	1	45	-2.0	-103.12	388.24	7.24	-95.88
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)=CO1	REAL300006084340	1	42	-2.0	-108.85	369.53	1.50	-107.35
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300006084500	0	41	-2.0	-101.49	353.95	5.09	-96.40
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C=C1	REAL300006084500	1	41	-2.0	-101.53	353.88	5.08	-96.45
O=C([O-])C1=NN(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)C=C1	REAL300006084777	0	36	-2.0	-91.10	308.25	4.14	-86.96
COCC1=NC=C(C(=O)N2CCCC(N3C=CC(C(=O)[O-])=N3)C2)C(=O)[N-]1	REAL300006084810	1	43	-2.0	-101.64	360.48	2.62	-99.02
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)C=C1	REAL300006084858	1	46	-2.0	-101.91	376.66	5.65	-96.26
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C=C1	REAL300006085160	0	38	-2.0	-110.59	350.82	7.86	-102.73
CC1=C(CCC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006088828	1	48	-2.0	-122.25	383.54	6.91	-115.34
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300006089235	1	42	-2.0	-114.75	367.52	6.73	-108.02
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006089295	1	40	-2.0	-138.14	348.23	9.80	-128.34
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300006089340	1	42	-2.0	-112.86	368.71	6.38	-106.48
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300006089342	1	45	-2.0	-107.90	376.43	6.97	-100.93
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006089430	1	42	-2.0	-125.21	356.30	6.20	-119.01
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006089431	1	42	-2.0	-113.23	361.08	6.67	-106.56
CC1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006089440	0	38	-2.0	-105.22	337.38	4.39	-100.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300006089534	1	45	-2.0	-106.66	382.51	7.35	-99.31
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006089600	0	39	-2.0	-118.65	354.32	5.32	-113.33
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300006089617	1	41	-2.0	-101.11	349.14	3.28	-97.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300006089618	1	32	-2.0	-99.86	293.69	0.88	-98.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=C2)C=C1	REAL300006089710	1	45	-2.0	-121.74	382.50	7.34	-114.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=C2)=C1	REAL300006089735	1	45	-2.0	-119.78	383.82	6.98	-112.80
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006089824	0	39	-2.0	-111.64	353.04	5.67	-105.97
O=C([O-])[C@@H]1CCCN1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006089825	0	42	-2.0	-122.72	381.68	6.61	-116.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@H]2C(=O)[O-])=CS1	REAL300006090039	1	39	-2.0	-120.20	338.59	5.12	-115.08
CC1=C(CC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006090184	1	41	-2.0	-125.01	349.40	5.34	-119.67
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006090312	1	42	-2.0	-107.60	356.51	6.21	-101.39
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300006090688	0	28	-2.0	-100.50	280.76	5.98	-94.52
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006090724	1	31	-2.0	-122.39	279.80	6.65	-115.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300006090780	0	34	-2.0	-109.76	302.34	2.43	-107.33
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006090820	1	41	-2.0	-101.68	356.14	4.90	-96.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300006090834	0	44	-2.0	-142.35	361.15	8.79	-133.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300006090835	0	44	-2.0	-141.23	361.08	8.79	-132.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300006090871	0	38	-2.0	-138.53	328.97	7.74	-130.79
O=C([O-])[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006090874	0	35	-2.0	-139.17	307.30	6.93	-132.24
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006090895	0	35	-2.0	-102.87	322.63	4.10	-98.77
O=C([O-])[C@@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006090921	0	27	-2.0	-107.41	256.97	3.25	-104.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300006090943	0	38	-2.0	-146.70	326.40	7.31	-139.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300006090944	0	41	-2.0	-144.87	329.10	7.88	-136.99
CC1=C(CC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006090957	1	41	-2.0	-122.69	348.72	5.27	-117.42
CCOC1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006091007	1	35	-2.0	-108.17	307.08	6.25	-101.92
O=C([O-])[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006091010	0	38	-2.0	-140.56	335.38	7.84	-132.72
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300006091013	0	39	-2.0	-140.78	330.39	6.16	-134.62
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CO1	REAL300006091022	1	32	-2.0	-110.04	290.70	0.48	-109.56
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006091355	0	28	-2.0	-119.28	275.07	6.72	-112.56
CC1=C(CCC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006092126	1	52	-2.0	-115.08	406.14	8.06	-107.02
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006092680	1	44	-2.0	-140.58	370.25	10.99	-129.59
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006093038	1	45	-2.0	-102.77	370.11	4.18	-98.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006093039	1	36	-2.0	-101.47	316.49	1.65	-99.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=CS1	REAL300006093537	1	43	-2.0	-128.57	361.11	6.30	-122.27
CC1=C(CC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006093729	1	45	-2.0	-140.52	371.81	6.52	-134.00
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006094480	1	35	-2.0	-127.24	300.43	7.71	-119.53
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006094555	0	38	-2.0	-114.76	324.70	3.58	-111.18
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006094573	1	37	-2.0	-121.71	312.50	5.06	-116.65
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006094622	0	48	-2.0	-146.35	384.44	9.59	-136.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006094623	0	48	-2.0	-144.90	384.33	9.19	-135.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006094674	0	42	-2.0	-142.32	351.33	8.37	-133.95
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006094678	0	39	-2.0	-143.12	330.60	7.74	-135.38
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006094696	1	37	-2.0	-147.66	303.52	8.48	-139.18
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006094713	0	39	-2.0	-104.11	345.68	4.84	-99.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006094753	0	31	-2.0	-103.93	284.84	4.58	-99.35
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006094800	0	42	-2.0	-150.07	348.88	7.92	-142.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006094801	0	45	-2.0	-147.76	365.28	8.98	-138.78
CC1=C(CC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006094841	1	45	-2.0	-139.20	371.99	6.52	-132.68
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006094873	0	32	-2.0	-104.27	285.22	5.99	-98.28
COC1=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006094879	1	35	-2.0	-106.36	291.94	1.79	-104.57
CCOC1=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006094954	1	39	-2.0	-110.83	330.06	6.97	-103.86
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006094957	0	42	-2.0	-151.30	355.29	8.53	-142.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006094962	0	43	-2.0	-144.52	353.61	6.57	-137.95
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=CO1	REAL300006094973	1	36	-2.0	-103.47	312.74	1.67	-101.80
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006095074	0	35	-2.0	-97.71	299.00	5.22	-92.49
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006095074	1	35	-2.0	-97.69	299.06	5.23	-92.46
COCC1=NC=C(C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]1	REAL300006095279	1	37	-2.0	-120.88	313.75	2.68	-118.20
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006095310	1	40	-2.0	-121.49	328.35	5.60	-115.89
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006095501	0	32	-2.0	-123.18	294.72	8.05	-115.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])=C1	REAL300006096714	0	45	-2.0	-122.75	394.97	3.37	-119.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006096978	0	45	-2.0	-123.64	395.04	3.60	-120.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])O1	REAL300006097389	1	39	-2.0	-100.59	366.79	-0.64	-101.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006097624	0	42	-2.0	-121.92	373.56	2.70	-119.22
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])=CS1	REAL300006097953	1	46	-2.0	-122.06	407.51	3.87	-118.19
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1=CC=CC=C1O)C(=O)[O-]	REAL300006098167	0	42	-2.0	-113.80	379.74	2.83	-110.97
CC1=C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006098256	1	48	-2.0	-113.28	397.71	4.18	-109.10
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006099310	1	35	-2.0	-100.96	319.12	3.70	-97.26
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006099323	1	38	-2.0	-119.17	349.68	6.16	-113.01
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CCC1=N[N-]N=N1	REAL300006099364	0	35	-2.0	-97.80	316.58	1.75	-96.05
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CCC1=NN=N[N-]1	REAL300006099364	1	35	-2.0	-97.80	316.64	1.77	-96.03
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CC=C2O)C(=O)[O-])C=N1	REAL300006099452	0	41	-2.0	-107.89	374.36	1.80	-106.09
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006099488	1	40	-2.0	-116.77	344.27	4.71	-112.06
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COC1=C(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006125966	1	41	-2.0	-100.99	369.21	1.75	-99.24
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COCC1=NC=C(C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300006126264	1	43	-2.0	-111.43	382.06	3.29	-108.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300006127491	0	41	-2.0	-129.85	342.91	5.88	-123.97
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006127802	0	41	-2.0	-128.10	346.42	6.08	-122.02
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300006127852	1	43	-2.0	-112.10	372.59	10.24	-101.86
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])O1	REAL300006128300	1	44	-2.0	-88.41	374.07	3.58	-84.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])O1	REAL300006128301	1	35	-2.0	-87.67	319.31	1.14	-86.53
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006128574	0	38	-2.0	-126.25	324.96	5.18	-121.07
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=CS1	REAL300006128945	1	42	-2.0	-107.21	363.24	5.53	-101.68
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006129182	0	38	-2.0	-118.63	331.35	5.26	-113.37
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006129188	0	44	-2.0	-131.97	364.49	6.89	-125.08
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300006130041	0	44	-2.0	-135.03	367.49	7.46	-127.57
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=N1	REAL300006130334	0	37	-2.0	-112.32	322.35	4.25	-108.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=N2)=C1	REAL300006130419	0	47	-2.0	-119.46	387.48	8.68	-110.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=N2)C=C1	REAL300006130420	0	47	-2.0	-117.83	385.86	8.73	-109.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=N1	REAL300006130502	0	41	-2.0	-114.89	353.02	7.83	-107.06
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3CC(=O)[O-])=N2)=C1	REAL300006130668	0	41	-2.0	-123.10	351.97	7.41	-115.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=N1	REAL300006130669	0	44	-2.0	-120.74	365.44	8.39	-112.35
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CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006148188	0	41	-2.0	-104.09	369.21	5.01	-99.08
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006148205	1	43	-2.0	-99.06	364.62	2.20	-96.86
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300006148206	1	34	-2.0	-97.46	309.17	-0.21	-97.67
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300006148318	1	47	-2.0	-108.06	398.89	6.65	-101.41
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300006148357	1	47	-2.0	-108.45	398.88	6.65	-101.80
CC[C@H](CC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300006148429	0	44	-2.0	-115.52	372.53	2.00	-113.52
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006148477	0	37	-2.0	-108.14	316.73	3.10	-105.04
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006148485	0	41	-2.0	-106.22	369.40	5.00	-101.22
CC[C@H](CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006148486	0	44	-2.0	-106.71	394.06	5.67	-101.04
CC[C@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006148800	1	41	-2.0	-107.96	350.93	4.21	-103.75
CC[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006148974	0	37	-2.0	-102.13	323.15	3.16	-98.97
CC[C@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006148983	1	43	-2.0	-121.39	360.87	4.36	-117.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC)CC(=O)[O-]	REAL300006148988	0	43	-2.0	-110.34	359.70	4.78	-105.56
CC[C@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300006149039	1	43	-2.0	-110.87	341.23	4.62	-106.25
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006149146	1	44	-2.0	-97.56	377.46	5.98	-91.58
CC[C@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006149570	0	43	-2.0	-113.08	362.62	5.36	-107.72
CC[C@H](CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300006149653	0	30	-2.0	-91.68	297.12	5.32	-86.36
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006149707	1	33	-2.0	-109.65	292.87	6.47	-103.18
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006149783	0	36	-2.0	-102.82	317.78	2.13	-100.69
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006149837	1	43	-2.0	-93.50	372.50	4.21	-89.29
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006149852	0	46	-2.0	-127.64	377.38	7.15	-120.49
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006149853	0	46	-2.0	-125.62	377.31	7.16	-118.46
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006149907	0	40	-2.0	-120.72	339.44	6.23	-114.49
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006149910	0	37	-2.0	-122.35	323.53	5.30	-117.05
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006149938	0	37	-2.0	-91.23	339.01	3.43	-87.80
CC[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006149969	0	29	-2.0	-95.91	278.25	3.14	-92.77
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006150007	0	40	-2.0	-130.02	341.87	5.88	-124.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC)CC(=O)[O-])=N1	REAL300006150008	0	43	-2.0	-127.18	351.40	7.02	-120.16
CC[C@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006150032	1	43	-2.0	-120.07	361.05	4.35	-115.72
CCOC1=CC(C(=O)N[C@H](CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006150105	1	37	-2.0	-100.02	323.39	5.58	-94.44
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006150109	0	40	-2.0	-131.39	347.02	6.67	-124.72
CC[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006150115	0	41	-2.0	-125.25	346.59	4.53	-120.72
CC[C@H](CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300006150130	1	34	-2.0	-97.58	308.31	-0.22	-97.80
CC[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006150592	0	30	-2.0	-106.20	286.95	6.50	-99.70
CC[C@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300006150769	0	38	-2.0	-113.44	321.02	3.70	-109.74
O=C([O-])C(NC(=O)C1=N[N-]C2=CC=CC=C2C1=O)C1CC2CCC1C2	REAL300006151266	0	42	-2.0	-121.75	339.82	7.84	-113.91
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300006152059	1	51	-2.0	-101.01	412.39	4.43	-96.58
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300006152060	1	42	-2.0	-100.03	358.79	1.90	-98.13
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CS1	REAL300006152530	1	49	-2.0	-119.63	398.68	6.31	-113.32
CC1=C(CC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006152719	1	51	-2.0	-131.27	409.95	6.64	-124.63
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1CC2CCC1C2	REAL300006153619	1	38	-2.0	-104.59	310.29	6.16	-98.43
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC2CCC1C2	REAL300006153629	1	41	-2.0	-123.35	342.47	8.66	-114.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300006153713	0	44	-2.0	-106.71	366.88	4.43	-102.28
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CC2CCC1C2	REAL300006153737	1	43	-2.0	-116.60	345.27	5.64	-110.96
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=N2)=C1	REAL300006153787	0	54	-2.0	-137.38	426.26	9.39	-127.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=N2)C=C1	REAL300006153788	0	54	-2.0	-135.69	426.23	9.39	-126.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300006153855	0	48	-2.0	-131.31	388.40	8.46	-122.85
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC2CCC1C2	REAL300006153860	0	45	-2.0	-134.43	372.46	7.54	-126.89
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC2CCC1C2	REAL300006153890	1	43	-2.0	-139.95	346.29	8.29	-131.66
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=N2)=C1	REAL300006154025	0	48	-2.0	-140.33	390.79	8.11	-132.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300006154026	0	51	-2.0	-138.36	400.07	9.15	-129.21
CC1=C(CC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006154084	1	51	-2.0	-129.97	410.13	6.63	-123.34
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC2CCC1C2	REAL300006154139	0	38	-2.0	-99.94	327.63	6.90	-93.04
COC1=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)NC(=O)[N-]C1=O	REAL300006154150	1	41	-2.0	-101.56	334.53	1.94	-99.62
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154224	0	41	-2.0	-108.90	331.08	4.96	-103.94
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CC2CCC1C2	REAL300006154224	1	41	-2.0	-108.93	331.14	4.97	-103.96
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CC2CCC1C2	REAL300006154254	0	38	-2.0	-101.94	320.09	6.64	-95.30
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC(Cl)=C1[O-]	REAL300006154258	1	45	-2.0	-105.06	372.47	7.87	-97.19
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=N2)C=C1	REAL300006154264	0	49	-2.0	-135.10	395.53	6.77	-128.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CO1	REAL300006154279	1	42	-2.0	-105.93	357.90	1.87	-104.06
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2CCC1C2	REAL300006154416	0	41	-2.0	-93.21	341.00	4.89	-88.32
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2CCC1C2	REAL300006154416	1	41	-2.0	-93.19	341.07	4.90	-88.29
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(=O)[N-]1	REAL300006154674	1	43	-2.0	-113.83	344.41	3.26	-110.57
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC2CCC1C2	REAL300006154716	1	46	-2.0	-116.76	361.02	6.19	-110.57
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC2CCC1C2	REAL300006154956	0	38	-2.0	-117.77	333.85	8.68	-109.09
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=C1	REAL300006156702	0	44	-2.0	-101.81	386.00	4.82	-96.99
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006156972	0	44	-2.0	-102.72	386.07	5.03	-97.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)O1	REAL300006157388	1	38	-2.0	-96.23	357.05	0.85	-95.38
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006157625	0	41	-2.0	-101.37	364.60	4.14	-97.23
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2(CC(=O)[O-])CC2(F)F)=CS1	REAL300006157960	1	45	-2.0	-99.87	398.79	5.25	-94.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1(CC(=O)[O-])CC1(F)F	REAL300006158176	0	41	-2.0	-95.17	370.67	4.19	-90.98
O=C([O-])CC1(CCNC(=O)C2=CC=C([O-])C(F)=C2)CC1(F)F	REAL300006159323	1	34	-2.0	-93.75	305.91	4.97	-88.78
O=C([O-])CC1(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1(F)F	REAL300006159336	1	37	-2.0	-101.46	340.76	7.62	-93.84
O=C([O-])CC1(CCNC(=O)CCC2=N[N-]N=N2)CC1(F)F	REAL300006159376	0	34	-2.0	-89.50	303.36	3.04	-86.46
O=C([O-])CC1(CCNC(=O)CCC2=NN=N[N-]2)CC1(F)F	REAL300006159376	1	34	-2.0	-89.54	303.42	3.05	-86.49
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C=N1	REAL300006159466	0	40	-2.0	-99.33	365.65	3.17	-96.16
O=C([O-])CC1(CCNC(=O)C2=CN=CC([O-])=C2)CC1(F)F	REAL300006159546	1	33	-2.0	-93.83	294.75	3.09	-90.74
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=N1	REAL300006159658	0	44	-2.0	-108.84	391.33	7.31	-101.53
O=C([O-])CC1(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1(F)F	REAL300006159663	0	41	-2.0	-111.22	367.22	6.31	-104.91
O=C([O-])CC1(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1(F)F	REAL300006159709	1	39	-2.0	-113.24	344.56	7.25	-105.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)=N2)=C1	REAL300006159876	0	44	-2.0	-117.98	389.74	6.95	-111.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=N1	REAL300006159877	0	47	-2.0	-114.94	405.67	8.01	-106.93
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COC1=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)NC(=O)[N-]C1=O	REAL300006160031	1	37	-2.0	-95.62	332.51	0.71	-94.91
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CCOC1=CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=CC(Cl)=C1[O-]	REAL300006160179	1	41	-2.0	-94.88	366.76	6.50	-88.38
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3(CC(=O)[O-])CC3(F)F)=N2)C=C1	REAL300006160188	0	45	-2.0	-113.95	394.47	5.60	-108.35
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)=CO1	REAL300006160212	1	38	-2.0	-96.62	356.19	0.82	-95.80
O=C([O-])CC1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL300006160380	0	37	-2.0	-89.20	339.96	3.72	-85.48
O=C([O-])CC1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL300006160380	1	37	-2.0	-89.16	340.02	3.73	-85.43
O=C([O-])CC1(CCNC(=O)C2=C[N-]N=CC2=O)CC1(F)F	REAL300006160679	0	32	-2.0	-89.96	286.96	3.52	-86.44
COCC1=NC=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C(=O)[N-]1	REAL300006160715	1	39	-2.0	-98.64	344.98	2.24	-96.40
O=C([O-])CC1(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1(F)F	REAL300006161093	0	34	-2.0	-98.15	334.82	7.66	-90.49
CC1=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C(=O)NC(C2=CC=CO2)=N1	REAL300006161403	0	42	-2.0	-104.08	368.18	4.71	-99.37
CC1=C(C(=O)NCCC2(CC(=O)[O-])CC2(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006161403	1	42	-2.0	-104.08	368.18	4.71	-99.37
CC1=C(CCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006162180	1	54	-2.0	-100.31	421.39	7.25	-93.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300006162533	0	44	-2.0	-100.60	361.09	4.98	-95.62
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006162845	0	44	-2.0	-101.55	361.16	5.23	-96.32
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300006162895	1	46	-2.0	-100.74	383.48	10.12	-90.62
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300006163347	1	47	-2.0	-102.81	388.23	3.50	-99.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300006163348	1	38	-2.0	-101.51	333.46	1.06	-100.45
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300006163579	0	48	-2.0	-105.25	397.39	3.25	-102.00
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006163625	0	41	-2.0	-100.11	339.69	4.33	-95.78
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CS1	REAL300006163999	1	45	-2.0	-99.95	375.22	5.46	-94.49
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006164234	0	41	-2.0	-96.00	347.42	4.44	-91.56
CC1=C(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006164239	1	47	-2.0	-110.12	385.14	5.61	-104.51
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006164243	0	47	-2.0	-102.00	382.66	6.00	-96.00
CC1=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006164314	1	47	-2.0	-108.52	365.09	5.86	-102.66
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300006165064	0	47	-2.0	-100.76	382.32	6.47	-94.29
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006165259	1	37	-2.0	-99.79	315.84	7.78	-92.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=N1	REAL300006165358	0	40	-2.0	-102.14	340.74	3.34	-98.80
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006165389	1	39	-2.0	-105.84	318.52	4.75	-101.09
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)=C1	REAL300006165443	0	50	-2.0	-117.41	400.28	8.38	-109.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C=C1	REAL300006165444	0	50	-2.0	-115.52	401.59	8.43	-107.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300006165520	0	44	-2.0	-110.23	362.39	7.45	-102.78
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006165525	0	41	-2.0	-115.48	346.48	6.54	-108.94
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006165549	1	39	-2.0	-113.62	320.97	7.45	-106.17
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300006165569	0	41	-2.0	-87.05	361.98	4.62	-82.43
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300006165618	0	33	-2.0	-92.26	302.52	4.41	-87.85
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)=C1	REAL300006165681	0	44	-2.0	-118.85	364.83	7.10	-111.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300006165682	0	47	-2.0	-115.71	374.34	8.25	-107.46
CC1=C(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006165742	1	47	-2.0	-101.20	384.01	5.56	-95.64
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006165785	0	34	-2.0	-94.05	302.83	5.86	-88.19
COC1=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006165793	1	37	-2.0	-97.03	307.70	0.88	-96.15
CCOC1=CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006165900	1	41	-2.0	-98.18	346.36	6.79	-91.39
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300006165904	0	44	-2.0	-121.76	369.97	7.91	-113.85
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C=C1	REAL300006165912	0	45	-2.0	-115.37	370.89	5.81	-109.56
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CO1	REAL300006165932	1	38	-2.0	-94.67	332.59	1.04	-93.63
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006166063	0	37	-2.0	-90.64	315.05	3.88	-86.76
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006166063	1	37	-2.0	-90.55	315.12	3.90	-86.65
COCC1=NC=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]1	REAL300006166335	1	39	-2.0	-104.41	320.37	2.40	-102.01
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006166374	1	42	-2.0	-107.06	335.41	5.42	-101.64
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006166635	0	34	-2.0	-97.22	311.23	7.87	-89.35
CC1=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006166896	0	42	-2.0	-112.13	345.27	4.92	-107.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300006168088	1	48	-2.0	-102.89	413.87	1.17	-101.72
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)[C@H]1CC(=O)[O-]	REAL300006168266	0	51	-2.0	-109.43	421.43	4.48	-104.95
CC1=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006168753	1	57	-2.0	-116.98	445.59	5.98	-111.00
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)[C@H]1CC(=O)[O-]	REAL300006169685	1	44	-2.0	-100.77	367.12	5.41	-95.36
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])[C@H]1CC(=O)[O-]	REAL300006169699	1	47	-2.0	-110.44	397.80	7.95	-102.49
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)[C@H]1CC(=O)[O-]	REAL300006169756	0	44	-2.0	-95.55	364.52	3.48	-92.07
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)[C@H]1CC(=O)[O-]	REAL300006169756	1	44	-2.0	-95.50	364.58	3.49	-92.01
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)[C@H]1CC(=O)[O-]	REAL300006169827	0	50	-2.0	-106.69	422.71	3.53	-103.16
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)[C@H]1CC(=O)[O-]	REAL300006169857	1	49	-2.0	-115.17	400.24	4.91	-110.26
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CN=CC([O-])=C2)[C@H]1CC(=O)[O-]	REAL300006169888	1	43	-2.0	-101.18	356.09	3.53	-97.65
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)[C@H]1CC(=O)[O-]	REAL300006170030	1	49	-2.0	-125.79	401.21	7.56	-118.23
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300006170306	0	44	-2.0	-97.64	383.47	5.97	-91.67
COC1=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300006170325	1	47	-2.0	-101.17	389.43	1.04	-100.13
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]1CC(=O)[O-]	REAL300006170417	0	47	-2.0	-99.06	386.43	4.27	-94.79
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]1CC(=O)[O-]	REAL300006170417	1	47	-2.0	-99.05	386.48	4.28	-94.77
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300006170450	0	44	-2.0	-97.75	376.91	5.91	-91.84
CCOC1=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006170453	1	51	-2.0	-103.06	428.32	6.95	-96.11
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CO1	REAL300006170484	1	48	-2.0	-99.09	413.27	1.17	-97.92
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]1CC(=O)[O-]	REAL300006170632	0	47	-2.0	-92.94	396.79	4.05	-88.89
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]1CC(=O)[O-]	REAL300006170632	1	47	-2.0	-92.89	396.85	4.07	-88.82
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=C[N-]N=CC2=O)[C@H]1CC(=O)[O-]	REAL300006170884	0	42	-2.0	-102.77	348.46	3.98	-98.79
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(=O)[N-]1	REAL300006170915	1	49	-2.0	-113.55	402.08	2.56	-110.99
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)[C@H]1CC(=O)[O-]	REAL300006170957	1	52	-2.0	-115.36	416.00	5.46	-109.90
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@H]1CC(=O)[O-]	REAL300006171240	0	44	-2.0	-106.54	391.64	7.98	-98.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)O1	REAL300006173834	1	42	-2.0	-97.00	380.03	1.87	-95.13
COC1=CC=C([C@H](C)NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300006174024	0	45	-2.0	-112.29	387.61	5.17	-107.12
COC1=CC=C([C@H](C)NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C1C(=O)[O-]	REAL300006174556	1	51	-2.0	-99.94	411.66	6.68	-93.26
COC1=CC=C([C@H](C)NC(=O)C2=CC=C([O-])C(F)=C2)C=C1C(=O)[O-]	REAL300006175553	1	38	-2.0	-104.44	333.40	6.11	-98.33
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300006175566	1	41	-2.0	-113.16	363.72	8.64	-104.52
COC1=CC=C([C@H](C)NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300006175622	0	38	-2.0	-100.05	330.85	4.16	-95.89
COC1=CC=C([C@H](C)NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300006175622	1	38	-2.0	-99.99	330.90	4.16	-95.83
COC1=CC=C([C@H](C)NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300006175702	0	44	-2.0	-103.33	388.64	4.21	-99.12
COC1=CC=C([C@H](C)NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300006175733	1	43	-2.0	-99.35	366.41	5.59	-93.76
COC1=CC=C([C@H](C)NC(=O)C2=CN=CC([O-])=C2)C=C1C(=O)[O-]	REAL300006175772	1	37	-2.0	-105.08	322.24	4.21	-100.87
COC1=CC=C([C@H](C)NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300006175884	0	45	-2.0	-120.72	394.38	7.38	-113.34
COC1=CC=C([C@H](C)NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300006175930	1	43	-2.0	-121.26	367.54	8.26	-113.00
COC1=CC=C([C@H](C)NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300006176218	0	38	-2.0	-99.76	349.40	6.67	-93.09
COC1=CC=C([C@H](C)NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C=C1C(=O)[O-]	REAL300006176237	1	41	-2.0	-100.99	355.58	1.73	-99.26
COC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300006176333	0	41	-2.0	-109.59	352.35	4.94	-104.65
COC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300006176333	1	41	-2.0	-109.56	352.41	4.95	-104.61
COC1=CC=C([C@H](C)NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300006176368	0	38	-2.0	-100.66	343.20	6.60	-94.06
CCOC1=CC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300006176372	1	45	-2.0	-103.08	394.25	7.64	-95.44
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)=CO1	REAL300006176405	1	42	-2.0	-107.90	379.17	1.84	-106.06
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300006176565	0	41	-2.0	-94.15	362.93	4.74	-89.41
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300006176565	1	41	-2.0	-94.14	363.00	4.75	-89.39
COC1=CC=C([C@H](C)NC(=O)C2=C[N-]N=CC2=O)C=C1C(=O)[O-]	REAL300006176842	0	36	-2.0	-91.61	314.45	4.65	-86.96
COCC1=NC=C(C(=O)N[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300006176875	1	43	-2.0	-98.96	368.25	3.25	-95.71
COC1=CC=C([C@H](C)NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300006176923	1	46	-2.0	-99.34	382.16	6.15	-93.19
COC1=CC=C([C@H](C)NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300006177225	0	38	-2.0	-108.53	357.80	8.68	-99.85
CC1=C(CCC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006178077	1	54	-2.0	-100.44	432.02	7.06	-93.38
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=C1	REAL300006178430	0	44	-2.0	-99.25	374.11	4.88	-94.37
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006178742	0	44	-2.0	-100.25	374.19	5.10	-95.15
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C=C1	REAL300006178792	1	46	-2.0	-102.90	396.20	10.02	-92.88
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)O1	REAL300006179244	1	47	-2.0	-91.50	400.62	3.31	-88.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)O1	REAL300006179245	1	38	-2.0	-90.99	345.17	0.90	-90.09
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=C1	REAL300006179476	0	48	-2.0	-106.20	408.54	3.12	-103.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006179522	0	41	-2.0	-98.93	352.72	4.21	-94.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=CS1	REAL300006179896	1	45	-2.0	-99.65	386.93	5.30	-94.35
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006180131	0	41	-2.0	-93.36	359.20	4.26	-89.10
CC1=C(CC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006180136	1	47	-2.0	-105.96	396.85	5.46	-100.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006180140	0	47	-2.0	-100.80	395.74	5.89	-94.91
CC1=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006180211	1	47	-2.0	-94.78	376.82	5.71	-89.07
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1C[C@@H](CCC(=O)[O-])C1	REAL300006180961	0	47	-2.0	-104.12	398.62	6.47	-97.65
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006181156	1	37	-2.0	-99.34	328.92	7.66	-91.68
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C=N1	REAL300006181255	0	40	-2.0	-95.06	353.77	3.24	-91.82
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006181286	1	39	-2.0	-94.08	331.39	4.71	-89.37
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)=N2)=C1	REAL300006181340	0	50	-2.0	-111.04	413.37	8.29	-102.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)=N2)C=C1	REAL300006181341	0	50	-2.0	-109.93	413.31	8.29	-101.64
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=N1	REAL300006181417	0	44	-2.0	-107.35	380.89	7.40	-99.95
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006181422	0	41	-2.0	-108.01	359.52	6.44	-101.57
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006181446	1	39	-2.0	-108.64	332.69	7.29	-101.35
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006181466	0	41	-2.0	-86.24	374.99	4.51	-81.73
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006181515	0	33	-2.0	-89.73	314.23	4.26	-85.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)=N2)=C1	REAL300006181578	0	44	-2.0	-114.28	377.93	7.02	-107.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=N1	REAL300006181579	0	47	-2.0	-111.33	387.41	8.16	-103.17
CC1=C(CC(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006181639	1	47	-2.0	-104.72	397.03	5.46	-99.26
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006181682	0	34	-2.0	-89.63	314.54	5.69	-83.94
COC1=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006181690	1	37	-2.0	-92.94	320.69	0.77	-92.17
CCOC1=CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006181797	1	41	-2.0	-93.70	359.42	6.68	-87.02
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006181801	0	44	-2.0	-114.20	383.02	7.79	-106.41
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CCC(=O)[O-])C3)=N2)C=C1	REAL300006181809	0	45	-2.0	-110.03	382.58	5.67	-104.36
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)=CO1	REAL300006181829	1	38	-2.0	-95.13	344.35	0.89	-94.24
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006181960	0	37	-2.0	-85.49	328.11	3.77	-81.72
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006181960	1	37	-2.0	-85.46	328.18	3.78	-81.68
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]1	REAL300006182232	1	39	-2.0	-92.89	333.49	2.29	-90.60
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006182271	1	42	-2.0	-93.63	347.25	5.26	-88.37
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006182532	0	34	-2.0	-95.44	322.99	7.70	-87.74
CC1=C(C(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006182793	0	42	-2.0	-97.90	357.16	4.79	-93.11
CC1=C(CCC(=O)N2CC(C)(C)C2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006183248	1	51	-2.0	-115.35	405.77	7.88	-107.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1	REAL300006183596	0	41	-2.0	-126.86	344.06	5.15	-121.71
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006183906	0	41	-2.0	-114.35	348.56	4.78	-109.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)(C)C2C(=O)[O-])C=C1	REAL300006183952	1	43	-2.0	-126.32	369.38	10.88	-115.44
CC1(C)CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300006184134	1	45	-2.0	-112.89	382.67	7.47	-105.42
CC1(C)CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300006184135	1	45	-2.0	-111.90	384.85	6.77	-105.13
CC1=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006184148	0	41	-2.0	-103.94	362.38	5.59	-98.35
CC1(C)CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1C(=O)[O-]	REAL300006184380	0	42	-2.0	-111.17	374.60	6.48	-104.69
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])O1	REAL300006184398	1	44	-2.0	-99.66	368.87	4.17	-95.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)C2C(=O)[O-])O1	REAL300006184399	1	35	-2.0	-98.70	315.26	1.64	-97.06
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)(C)C2C(=O)[O-])=C1	REAL300006184639	0	45	-2.0	-133.04	378.85	3.39	-129.65
CC1(C)CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1C(=O)[O-]	REAL300006184685	0	38	-2.0	-112.83	327.10	3.88	-108.95
CC1(C)CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1C(=O)[O-]	REAL300006184693	0	42	-2.0	-109.98	373.07	6.43	-103.55
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)(C)C2C(=O)[O-])=CS1	REAL300006185045	1	42	-2.0	-126.80	360.72	6.12	-120.68
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1C(=O)[O-]	REAL300006185253	0	38	-2.0	-117.02	329.09	4.56	-112.46
CC1=C(CC(=O)N2CC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006185260	1	44	-2.0	-127.85	370.01	6.30	-121.55
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C)C1C(=O)[O-]	REAL300006185265	0	44	-2.0	-114.94	370.06	5.56	-109.38
CC1=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006185327	1	44	-2.0	-131.63	357.10	6.38	-125.25
CC1(C)CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300006185426	1	45	-2.0	-107.81	382.84	7.48	-100.33
CC1(C)CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1C(=O)[O-]	REAL300006185975	0	44	-2.0	-116.53	373.71	6.12	-110.41
CC1(C)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300006186144	1	34	-2.0	-132.20	298.82	7.49	-124.71
CC1(C)CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1C(=O)[O-]	REAL300006186231	0	37	-2.0	-117.40	323.69	3.63	-113.77
CC1(C)CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1C(=O)[O-]	REAL300006186292	1	44	-2.0	-104.01	377.88	5.69	-98.32
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C)(C)C3C(=O)[O-])=N2)=C1	REAL300006186307	0	47	-2.0	-142.72	383.45	9.09	-133.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)C3C(=O)[O-])=N2)C=C1	REAL300006186308	0	47	-2.0	-141.81	383.38	9.09	-132.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)C2C(=O)[O-])=N1	REAL300006186377	0	41	-2.0	-138.55	350.91	8.17	-130.38
CC1(C)CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1C(=O)[O-]	REAL300006186381	0	38	-2.0	-139.99	329.59	7.23	-132.76
CC1(C)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1C(=O)[O-]	REAL300006186402	1	36	-2.0	-143.98	302.13	7.72	-136.26
CC1(C)CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1C(=O)[O-]	REAL300006186420	0	38	-2.0	-106.68	342.67	4.87	-101.81
CC1(C)CN(C(=O)C2=CN=C(I)C([O-])=C2)C1C(=O)[O-]	REAL300006186458	0	30	-2.0	-95.69	285.58	3.94	-91.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)(C)C3C(=O)[O-])=N2)=C1	REAL300006186507	0	41	-2.0	-147.01	347.92	7.82	-139.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)C2C(=O)[O-])=N1	REAL300006186508	0	44	-2.0	-144.77	349.85	8.63	-136.14
CC1=C(CC(=O)N2CC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006186549	1	44	-2.0	-125.93	370.20	6.30	-119.63
CC1(C)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1C(=O)[O-]	REAL300006186581	0	31	-2.0	-103.58	282.22	6.00	-97.58
CCOC1=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006186665	1	38	-2.0	-108.80	327.06	7.00	-101.80
CC1(C)CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300006186669	0	41	-2.0	-145.17	343.55	8.22	-136.95
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)C3C(=O)[O-])=N2)C=C1	REAL300006186676	0	42	-2.0	-141.46	352.66	6.47	-134.99
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)(C)C2C(=O)[O-])=CO1	REAL300006186693	1	35	-2.0	-111.81	311.83	1.35	-110.46
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300006186813	0	34	-2.0	-95.58	297.57	4.68	-90.90
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300006186813	1	34	-2.0	-95.55	297.64	4.68	-90.87
CC1(C)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1C(=O)[O-]	REAL300006187073	1	39	-2.0	-128.78	325.46	5.62	-123.16
CC1(C)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1C(=O)[O-]	REAL300006187276	0	31	-2.0	-110.94	297.94	7.25	-103.69
CC1=C(C(=O)N2CC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006187499	0	39	-2.0	-113.98	342.97	4.37	-109.61
CC1=C(CCC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006188725	1	52	-2.0	-110.95	416.35	3.83	-107.12
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006189080	0	42	-2.0	-107.55	356.70	1.02	-106.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006189390	0	42	-2.0	-116.93	352.55	1.34	-115.59
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=C1	REAL300006189440	1	44	-2.0	-123.04	379.75	6.70	-116.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)O1	REAL300006189892	1	45	-2.0	-89.46	380.03	0.07	-89.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)O1	REAL300006189893	1	36	-2.0	-88.87	325.25	-2.37	-91.24
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=C1	REAL300006190124	0	46	-2.0	-121.94	390.88	-0.66	-122.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006190170	0	39	-2.0	-113.93	335.09	0.41	-113.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=CS1	REAL300006190542	1	43	-2.0	-112.04	370.23	2.00	-110.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006190779	0	39	-2.0	-106.95	341.10	0.51	-106.44
CC1=C(CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006190782	1	45	-2.0	-117.26	380.25	2.20	-115.06
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006190785	0	45	-2.0	-117.43	374.04	2.13	-115.30
CC1=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006190856	1	45	-2.0	-111.94	367.67	1.84	-110.10
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1C[C@@H](CC(=O)[O-])[C@H](O)C1	REAL300006191620	0	45	-2.0	-120.46	380.70	2.70	-117.76
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1O	REAL300006191814	1	35	-2.0	-118.78	310.85	3.62	-115.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C=N1	REAL300006191915	0	38	-2.0	-108.09	332.45	-0.49	-108.58
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1O	REAL300006191945	1	37	-2.0	-115.61	321.28	1.04	-114.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=N2)=C1	REAL300006191999	0	48	-2.0	-126.62	393.68	5.18	-121.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=N2)C=C1	REAL300006192000	0	48	-2.0	-126.06	393.57	5.19	-120.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=N1	REAL300006192078	0	42	-2.0	-123.06	360.09	4.21	-118.85
O=C([O-])C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1O	REAL300006192083	0	39	-2.0	-124.06	339.89	3.33	-120.73
O=C([O-])C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1O	REAL300006192109	1	37	-2.0	-113.92	312.81	4.42	-109.50
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@H]1O	REAL300006192129	0	39	-2.0	-98.49	353.89	0.79	-97.70
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)C[C@H]1O	REAL300006192178	0	31	-2.0	-98.68	294.33	0.46	-98.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=N2)=C1	REAL300006192243	0	42	-2.0	-131.09	358.17	3.93	-127.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=N1	REAL300006192244	0	45	-2.0	-128.98	374.93	4.98	-124.00
CC1=C(CC(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006192304	1	45	-2.0	-115.85	381.25	2.24	-113.61
O=C([O-])C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1O	REAL300006192349	0	32	-2.0	-101.17	294.03	1.96	-99.21
COC1=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)NC(=O)[N-]C1=O	REAL300006192357	1	35	-2.0	-97.96	301.75	-2.52	-100.48
CCOC1=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=CC(Cl)=C1[O-]	REAL300006192463	1	39	-2.0	-96.46	340.54	2.94	-93.52
O=C([O-])C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@H]1O	REAL300006192467	0	42	-2.0	-129.79	364.21	4.51	-125.28
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](CC(=O)[O-])[C@H](O)C3)=N2)C=C1	REAL300006192475	0	43	-2.0	-125.97	362.86	2.57	-123.40
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)=CO1	REAL300006192495	1	36	-2.0	-104.89	322.45	-2.71	-107.60
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL300006192626	0	35	-2.0	-87.29	308.38	0.87	-86.42
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL300006192626	1	35	-2.0	-87.28	308.45	0.87	-86.41
COCC1=NC=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]1	REAL300006192903	1	37	-2.0	-100.85	317.52	-1.50	-102.35
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1O	REAL300006192944	1	40	-2.0	-115.25	337.14	1.59	-113.66
O=C([O-])C[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1O	REAL300006193204	0	32	-2.0	-113.17	304.86	3.75	-109.42
CC1=C(C(=O)N2C[C@@H](CC(=O)[O-])[C@H](O)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006193464	0	40	-2.0	-114.15	347.95	0.91	-113.24
CC1=C(CCC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)NC(N2CCOCC2)=N1	REAL300006193959	0	54	-2.0	-100.18	423.38	6.77	-93.41
CC1=C(CCC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006193959	1	54	-2.0	-100.18	423.38	6.77	-93.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300006194312	0	44	-2.0	-102.50	365.52	4.58	-97.92
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006194624	0	44	-2.0	-104.05	366.91	4.84	-99.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300006194674	1	46	-2.0	-111.49	389.28	9.75	-101.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300006195126	1	47	-2.0	-88.50	392.02	3.01	-85.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300006195127	1	38	-2.0	-88.05	336.57	0.61	-87.44
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300006195358	0	48	-2.0	-110.16	399.92	2.82	-107.34
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006195404	0	41	-2.0	-102.04	344.13	3.92	-98.12
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=CS1	REAL300006195778	1	45	-2.0	-104.82	378.32	5.02	-99.80
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006196013	0	41	-2.0	-96.13	351.86	4.01	-92.12
CC1=C(CC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006196018	1	47	-2.0	-109.09	388.26	5.17	-103.92
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006196022	0	47	-2.0	-104.02	387.10	5.60	-98.42
CC1=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006196093	1	47	-2.0	-91.42	368.21	5.41	-86.01
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300006196843	0	47	-2.0	-108.16	391.33	6.19	-101.97
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006197038	1	37	-2.0	-104.32	321.58	7.41	-96.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C=N1	REAL300006197137	0	40	-2.0	-94.30	345.19	2.96	-91.34
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006197168	1	39	-2.0	-90.77	322.92	4.34	-86.43
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)=C1	REAL300006197222	0	50	-2.0	-113.71	404.71	7.97	-105.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C=C1	REAL300006197223	0	50	-2.0	-113.19	406.02	8.01	-105.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300006197299	0	44	-2.0	-110.10	372.24	7.10	-103.00
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006197304	0	41	-2.0	-111.46	350.92	6.12	-105.34
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006197328	1	39	-2.0	-112.31	324.08	6.98	-105.33
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300006197348	0	41	-2.0	-89.02	366.40	4.24	-84.78
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300006197397	0	33	-2.0	-92.01	306.95	3.98	-88.03
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)=C1	REAL300006197460	0	44	-2.0	-117.96	370.59	6.74	-111.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300006197461	0	47	-2.0	-115.96	387.02	7.83	-108.13
CC1=C(CC(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006197521	1	47	-2.0	-107.83	388.44	5.16	-102.67
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006197564	0	34	-2.0	-89.92	305.94	5.40	-84.52
COC1=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006197572	1	37	-2.0	-92.30	311.91	0.46	-91.84
CCOC1=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006197679	1	41	-2.0	-94.15	352.11	6.41	-87.74
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300006197683	0	44	-2.0	-115.94	374.41	7.49	-108.45
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C=C1	REAL300006197691	0	45	-2.0	-113.17	375.31	5.39	-107.78
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=CO1	REAL300006197711	1	38	-2.0	-98.44	337.03	0.61	-97.83
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006197842	0	37	-2.0	-84.64	319.48	3.46	-81.18
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006197842	1	37	-2.0	-84.63	319.55	3.48	-81.15
COCC1=NC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]1	REAL300006198114	1	39	-2.0	-90.36	324.77	2.00	-88.36
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006198153	1	42	-2.0	-90.77	338.67	4.91	-85.86
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006198414	0	34	-2.0	-99.93	315.66	7.44	-92.49
CC1=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006198675	0	42	-2.0	-94.70	348.43	4.46	-90.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCCCCC(=O)[O-])=C1	REAL300006199446	0	55	-2.0	-98.39	455.44	7.52	-90.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006199695	0	55	-2.0	-99.40	455.51	7.74	-91.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])O1	REAL300006200071	1	49	-2.0	-88.25	426.49	3.54	-84.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCCCC(=O)[O-]	REAL300006200277	0	52	-2.0	-98.03	434.04	6.84	-91.19
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCCCCCC(=O)[O-])=CS1	REAL300006200580	1	56	-2.0	-98.68	468.23	7.94	-90.74
CC1=C(C(=O)NCCCCCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006200864	1	58	-2.0	-89.42	458.13	8.33	-81.09
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C([O-])C(F)=C1	REAL300006201877	1	45	-2.0	-93.58	379.85	7.77	-85.81
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006201890	1	48	-2.0	-98.82	410.19	10.32	-88.50
O=C([O-])CCCCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL300006201936	0	45	-2.0	-88.01	377.30	5.84	-82.17
O=C([O-])CCCCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL300006201936	1	45	-2.0	-88.01	377.36	5.85	-82.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCCCCCC(=O)[O-])C=N1	REAL300006202017	0	51	-2.0	-92.73	435.09	5.87	-86.86
O=C([O-])CCCCCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006202052	1	50	-2.0	-88.79	412.90	7.27	-81.52
O=C([O-])CCCCCCCCCNC(=O)C1=CN=CC([O-])=C1	REAL300006202093	1	44	-2.0	-93.75	368.70	5.89	-87.86
O=C([O-])CCCCCCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006202208	0	52	-2.0	-106.63	440.84	9.06	-97.57
O=C([O-])CCCCCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006202254	1	50	-2.0	-106.20	413.99	9.94	-96.26
O=C([O-])CCCCCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006202541	0	45	-2.0	-89.34	395.86	8.33	-81.01
COC1=C(C(=O)NCCCCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300006202559	1	48	-2.0	-92.04	402.01	3.41	-88.63
O=C([O-])CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL300006202659	0	48	-2.0	-95.16	398.80	6.62	-88.54
O=C([O-])CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL300006202659	1	48	-2.0	-95.14	398.86	6.63	-88.51
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006202696	0	45	-2.0	-89.59	389.65	8.25	-81.34
CCOC1=CC(C(=O)NCCCCCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006202699	1	52	-2.0	-92.63	440.71	9.29	-83.34
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCCCCCC(=O)[O-])=CO1	REAL300006202733	1	49	-2.0	-95.75	425.62	3.51	-92.24
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006202898	0	48	-2.0	-84.23	409.39	6.41	-77.82
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006202898	1	48	-2.0	-84.27	409.46	6.42	-77.85
O=C([O-])CCCCCCCCCNC(=O)C1=C[N-]N=CC1=O	REAL300006203183	0	43	-2.0	-81.12	360.91	6.32	-74.80
COCC1=NC=C(C(=O)NCCCCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300006203217	1	50	-2.0	-88.41	414.75	4.91	-83.50
O=C([O-])CCCCCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006203265	1	53	-2.0	-88.73	428.66	7.82	-80.91
O=C([O-])CCCCCCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006203577	0	45	-2.0	-94.52	404.25	10.35	-84.17
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C([O-])=C1	REAL300006205584	1	35	-2.0	-127.08	319.36	7.16	-119.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006205912	1	31	-2.0	-103.83	299.31	6.50	-97.33
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300006205975	0	31	-2.0	-99.64	295.79	4.50	-95.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300006205975	1	31	-2.0	-99.66	295.85	4.51	-95.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300006206055	1	30	-2.0	-107.02	286.60	4.50	-102.52
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300006206407	0	34	-2.0	-112.77	318.25	5.33	-107.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300006206407	1	34	-2.0	-112.81	318.31	5.34	-107.47
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006206431	0	31	-2.0	-100.19	309.11	6.99	-93.20
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300006206686	0	29	-2.0	-92.12	278.81	4.94	-87.18
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C(=O)[N-]1	REAL300006206705	1	36	-2.0	-98.36	333.49	3.63	-94.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCCCC2(C)C(=O)[O-])C=C1	REAL300006208197	1	49	-2.0	-107.21	395.35	10.83	-96.38
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])O1	REAL300006208558	1	50	-2.0	-103.81	398.97	3.84	-99.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])O1	REAL300006208559	1	41	-2.0	-102.09	344.20	1.40	-100.69
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCCCC2(C)C(=O)[O-])=CS1	REAL300006209046	1	48	-2.0	-106.00	386.01	6.11	-99.89
CC1=C(CC(=O)NC2CCCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006209244	1	50	-2.0	-111.94	395.95	6.26	-105.68
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006210124	1	40	-2.0	-113.65	326.59	8.64	-105.01
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006210209	0	43	-2.0	-108.01	354.45	3.42	-104.59
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006210230	1	42	-2.0	-117.41	329.27	5.62	-111.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCCCC3(C)C(=O)[O-])=N2)=C1	REAL300006210282	0	53	-2.0	-134.21	413.67	8.77	-125.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCCCC3(C)C(=O)[O-])=N2)C=C1	REAL300006210283	0	53	-2.0	-132.05	413.61	8.78	-123.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCCCC2(C)C(=O)[O-])=N1	REAL300006210345	0	47	-2.0	-127.69	381.52	7.56	-120.13
CC1(C(=O)[O-])CCCCC1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006210350	0	44	-2.0	-128.54	359.81	6.92	-121.62
CC1(C(=O)[O-])CCCCC1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006210374	1	42	-2.0	-133.03	333.36	7.47	-125.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCCCC3(C)C(=O)[O-])=N2)=C1	REAL300006210500	0	47	-2.0	-135.45	377.99	7.51	-127.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCCCC2(C)C(=O)[O-])=N1	REAL300006210501	0	50	-2.0	-134.20	394.50	8.59	-125.61
CC1=C(CC(=O)NC2CCCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006210551	1	50	-2.0	-109.86	396.14	6.25	-103.61
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006210595	0	37	-2.0	-97.12	312.38	6.53	-90.59
COC1=C(C(=O)NC2CCCCC2(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006210602	1	40	-2.0	-102.15	320.17	1.26	-100.89
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006210695	0	37	-2.0	-100.28	309.01	5.82	-94.46
CCOC1=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006210698	1	44	-2.0	-104.80	360.07	6.87	-97.93
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCCCC3(C)C(=O)[O-])=N2)C=C1	REAL300006210706	0	48	-2.0	-131.58	382.89	6.15	-125.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCCCC2(C)C(=O)[O-])=CO1	REAL300006210720	1	41	-2.0	-101.20	344.98	1.06	-100.14
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006210847	0	40	-2.0	-94.42	328.75	3.98	-90.44
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006210847	1	40	-2.0	-94.36	328.82	3.99	-90.37
COCC1=NC=C(C(=O)NC2CCCCC2(C)C(=O)[O-])C(=O)[N-]1	REAL300006211093	1	42	-2.0	-115.87	331.13	3.27	-112.60
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006211130	1	45	-2.0	-117.51	348.00	5.38	-112.13
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006211357	0	37	-2.0	-112.33	323.61	7.90	-104.43
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006213173	1	44	-2.0	-91.14	386.64	4.12	-87.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)O1	REAL300006213174	1	35	-2.0	-90.74	331.19	1.70	-89.04
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006213633	1	42	-2.0	-111.48	372.96	6.14	-105.34
COC1=CC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C([O-])=C1	REAL300006214265	1	35	-2.0	-117.71	305.62	6.68	-111.03
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006214687	1	31	-2.0	-99.11	284.58	5.95	-93.16
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006214697	1	34	-2.0	-108.92	314.91	8.38	-100.54
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006214780	0	37	-2.0	-97.93	339.81	4.07	-93.86
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006214853	0	47	-2.0	-116.51	399.34	9.08	-107.43
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006214918	0	41	-2.0	-113.58	361.17	8.14	-105.44
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006214950	0	36	-2.0	-116.75	318.73	8.00	-108.75
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)=N2)=C1	REAL300006215080	0	41	-2.0	-121.24	363.90	7.81	-113.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)=N1	REAL300006215081	0	44	-2.0	-118.86	373.69	8.94	-109.92
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006215190	0	31	-2.0	-93.88	300.58	6.50	-87.38
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300006215272	0	34	-2.0	-107.25	303.53	4.81	-102.44
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300006215272	1	34	-2.0	-107.23	303.59	4.82	-102.41
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006215301	0	31	-2.0	-95.39	294.38	6.44	-88.95
CCOC1=CC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)=CC(Cl)=C1[O-]	REAL300006215305	1	38	-2.0	-97.29	345.43	7.49	-89.80
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(F)=C(C(=O)[O-])C=C3C)=N2)C=C1	REAL300006215310	0	42	-2.0	-116.55	368.63	6.46	-110.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)=CO1	REAL300006215325	1	35	-2.0	-103.30	331.36	1.73	-101.57
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006215460	0	34	-2.0	-88.76	314.20	4.60	-84.16
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006215460	1	34	-2.0	-88.79	314.13	4.59	-84.20
COCC1=NC=C(C(=O)NC2=CC(F)=C(C(=O)[O-])C=C2C)C(=O)[N-]1	REAL300006215713	1	36	-2.0	-92.62	320.15	3.18	-89.44
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006215985	0	31	-2.0	-104.37	308.98	8.41	-95.96
CC1=C(CCC(=O)NCCOCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006217299	1	51	-2.0	-99.51	418.24	4.35	-95.16
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCCC(=O)[O-])=C1	REAL300006217644	0	41	-2.0	-96.70	360.40	2.17	-94.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCC(=O)[O-]	REAL300006217949	0	41	-2.0	-97.67	360.47	2.39	-95.28
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCOCCC(=O)[O-])C=C1	REAL300006217996	1	43	-2.0	-105.67	382.46	7.30	-98.37
O=C([O-])CCOCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006218179	1	45	-2.0	-98.05	399.56	4.38	-93.67
O=C([O-])CCOCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006218180	1	45	-2.0	-99.56	399.73	4.37	-95.19
CC1=CC(C(=O)NCCOCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006218193	0	41	-2.0	-82.82	380.99	2.56	-80.26
O=C([O-])CCOCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006218423	0	42	-2.0	-96.01	391.49	3.38	-92.63
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCC(=O)[O-])O1	REAL300006218442	1	44	-2.0	-92.86	386.22	0.63	-92.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCC(=O)[O-])O1	REAL300006218443	1	35	-2.0	-92.36	331.45	-1.81	-94.17
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCCC(=O)[O-])=C1	REAL300006218678	0	45	-2.0	-101.71	395.11	0.40	-101.31
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCC(=O)[O-]	REAL300006218722	0	38	-2.0	-96.39	339.01	1.49	-94.90
O=C([O-])CCOCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006218730	0	42	-2.0	-97.81	391.67	3.39	-94.42
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCOCCC(=O)[O-])=CS1	REAL300006219083	1	42	-2.0	-95.27	373.19	2.59	-92.68
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOCCC(=O)[O-]	REAL300006219302	0	38	-2.0	-91.49	345.42	1.56	-89.93
CC1=C(CC(=O)NCCOCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006219309	1	44	-2.0	-100.36	384.05	2.79	-97.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCC(=O)[O-]	REAL300006219314	0	44	-2.0	-98.11	381.97	3.18	-94.93
CC1=C(C(=O)NCCOCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006219377	1	44	-2.0	-96.15	363.09	2.98	-93.17
O=C([O-])CCOCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006219474	1	45	-2.0	-93.84	399.72	4.37	-89.47
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCOCCC(=O)[O-]	REAL300006220031	0	44	-2.0	-100.85	384.89	3.74	-97.11
O=C([O-])CCOCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006220207	1	34	-2.0	-96.14	315.16	4.97	-91.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCOCCC(=O)[O-])C=N1	REAL300006220298	0	37	-2.0	-95.26	340.05	0.52	-94.74
O=C([O-])CCOCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006220360	1	44	-2.0	-90.18	394.76	2.60	-87.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N2)=C1	REAL300006220375	0	47	-2.0	-109.66	399.66	5.57	-104.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N2)C=C1	REAL300006220376	0	47	-2.0	-108.20	399.58	5.57	-102.63
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N1	REAL300006220444	0	41	-2.0	-104.78	367.12	4.67	-100.11
O=C([O-])CCOCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006220448	0	38	-2.0	-105.52	345.80	3.72	-101.80
O=C([O-])CCOCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006220470	1	36	-2.0	-106.81	318.96	4.59	-102.22
O=C([O-])CCOCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006220488	0	38	-2.0	-83.80	361.28	1.82	-81.98
O=C([O-])CCOCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300006220530	0	30	-2.0	-87.81	300.52	1.54	-86.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N2)=C1	REAL300006220582	0	41	-2.0	-112.07	364.14	4.30	-107.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N1	REAL300006220583	0	44	-2.0	-110.53	380.65	5.38	-105.15
CC1=C(CC(=O)NCCOCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006220628	1	44	-2.0	-98.78	383.32	2.73	-96.05
O=C([O-])CCOCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006220663	0	31	-2.0	-88.78	300.82	2.98	-85.80
COC1=C(C(=O)NCCOCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300006220667	1	34	-2.0	-92.17	306.97	-1.94	-94.11
CCOC1=CC(C(=O)NCCOCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006220752	1	38	-2.0	-92.98	345.67	3.95	-89.03
O=C([O-])CCOCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006220756	0	41	-2.0	-113.04	369.29	5.09	-107.95
COC1=CC=C(N2C=C([O-])C(C(=O)NCCOCCC(=O)[O-])=N2)C=C1	REAL300006220764	0	42	-2.0	-108.33	368.87	2.95	-105.38
C[N-]S(=O)(=O)C1=CC(C(=O)NCCOCCC(=O)[O-])=CO1	REAL300006220782	1	35	-2.0	-92.52	330.59	-1.83	-94.35
O=C([O-])CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006220902	0	34	-2.0	-85.21	314.36	1.06	-84.15
O=C([O-])CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006220902	1	34	-2.0	-85.12	314.43	1.07	-84.05
O=C([O-])CCOCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006221178	1	39	-2.0	-94.91	333.62	2.48	-92.43
O=C([O-])CCOCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006221399	0	31	-2.0	-92.98	309.22	5.01	-87.97
CC1=C(C(=O)NCCOCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006221634	0	39	-2.0	-99.24	343.32	2.07	-97.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300006223403	1	44	-2.0	-96.76	376.56	2.50	-94.26
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=CS1	REAL300006223869	1	51	-2.0	-117.34	418.33	6.92	-110.42
CC1=C(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006224052	1	53	-2.0	-128.51	428.27	7.07	-121.44
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006224941	1	40	-2.0	-102.63	329.95	6.77	-95.86
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006224951	1	43	-2.0	-120.07	360.26	9.27	-110.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=N1	REAL300006225035	0	46	-2.0	-104.91	385.43	4.78	-100.13
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006225060	1	45	-2.0	-113.90	363.05	6.23	-107.67
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300006225109	0	56	-2.0	-135.25	445.02	9.83	-125.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300006225110	0	56	-2.0	-133.64	444.96	9.83	-123.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300006225176	0	50	-2.0	-128.96	406.52	8.98	-119.98
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006225181	0	47	-2.0	-130.77	391.18	7.97	-122.80
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006225210	1	45	-2.0	-136.17	364.12	8.90	-127.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300006225343	0	50	-2.0	-138.19	409.52	8.56	-129.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300006225344	0	53	-2.0	-136.20	418.61	9.79	-126.41
CC1=C(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006225402	1	53	-2.0	-127.07	428.70	6.99	-120.08
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006225457	0	40	-2.0	-97.82	346.20	7.25	-90.57
COC1=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006225468	1	43	-2.0	-98.33	351.87	2.39	-95.94
O=C(CCCC1=N[N-]N=N1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225542	0	43	-2.0	-106.03	349.15	5.53	-100.50
O=C(CCCC1=NN=N[N-]1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300006225542	1	43	-2.0	-106.02	349.21	5.54	-100.48
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006225572	0	40	-2.0	-100.00	339.75	7.25	-92.75
CCOC1=CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006225576	1	47	-2.0	-103.28	391.07	8.23	-95.05
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300006225582	0	51	-2.0	-133.19	414.00	7.27	-125.92
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=CO1	REAL300006225597	1	44	-2.0	-103.22	375.97	2.43	-100.79
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006225731	0	43	-2.0	-91.43	359.52	5.40	-86.03
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006225731	1	43	-2.0	-91.40	359.58	5.40	-86.00
COCC1=NC=C(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]1	REAL300006225987	1	45	-2.0	-112.35	365.15	3.82	-108.53
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006226029	1	48	-2.0	-112.92	378.61	6.83	-106.09
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006226267	0	40	-2.0	-116.01	354.57	9.24	-106.77
CC1=C(CCC(=O)N2CCCC2C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006227238	1	54	-2.0	-104.18	413.20	8.13	-96.05
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C(C)C(=O)[O-])C=C1	REAL300006227788	1	46	-2.0	-119.33	381.79	11.15	-108.18
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006228149	1	47	-2.0	-90.24	383.91	4.42	-85.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(C)C(=O)[O-])O1	REAL300006228150	1	38	-2.0	-89.16	327.40	1.96	-87.20
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2C(C)C(=O)[O-])=CS1	REAL300006228649	1	45	-2.0	-106.64	367.71	6.22	-100.42
CC1=C(CC(=O)N2CCCC2C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006228841	1	47	-2.0	-116.54	381.82	6.56	-109.98
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006229615	1	37	-2.0	-107.93	304.75	7.65	-100.28
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006229691	0	40	-2.0	-95.33	329.46	3.35	-91.98
CC(C(=O)[O-])C1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006229709	1	39	-2.0	-99.89	311.46	4.82	-95.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3C(C)C(=O)[O-])=N2)=C1	REAL300006229757	0	50	-2.0	-135.16	391.32	9.40	-125.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(C)C(=O)[O-])=N2)C=C1	REAL300006229758	0	50	-2.0	-133.15	391.26	9.40	-123.75
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(C)C(=O)[O-])=N1	REAL300006229810	0	44	-2.0	-114.87	356.03	8.08	-106.79
CC(C(=O)[O-])C1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006229815	0	41	-2.0	-130.07	337.94	7.83	-122.24
CC(C(=O)[O-])C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006229833	1	39	-2.0	-125.00	314.50	8.77	-116.23
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006229851	0	41	-2.0	-89.27	348.50	4.71	-84.56
CC(C(=O)[O-])C1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006229891	0	33	-2.0	-92.31	289.56	4.42	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C(C)C(=O)[O-])=N2)=C1	REAL300006229939	0	44	-2.0	-138.01	355.83	8.13	-129.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(C)C(=O)[O-])=N1	REAL300006229940	0	47	-2.0	-120.63	372.70	8.81	-111.82
CC1=C(CC(=O)N2CCCC2C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006229982	1	47	-2.0	-126.42	378.27	6.57	-119.85
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006230017	0	34	-2.0	-97.07	284.87	6.40	-90.67
COC1=C(C(=O)N2CCCC2C(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006230023	1	37	-2.0	-99.00	299.34	1.50	-97.50
CCOC1=CC(C(=O)N2CCCC2C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006230101	1	41	-2.0	-95.13	333.81	6.77	-88.36
CC(C(=O)[O-])C1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006230104	0	44	-2.0	-121.61	347.61	7.97	-113.64
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(C)C(=O)[O-])=N2)C=C1	REAL300006230109	0	45	-2.0	-123.83	364.81	6.90	-116.93
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C(C)C(=O)[O-])=CO1	REAL300006230120	1	38	-2.0	-96.35	319.32	1.20	-95.15
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006230226	0	37	-2.0	-86.90	311.01	5.34	-81.56
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006230226	1	37	-2.0	-86.90	311.07	5.34	-81.56
COCC1=NC=C(C(=O)N2CCCC2C(C)C(=O)[O-])C(=O)[N-]1	REAL300006230437	1	39	-2.0	-119.68	309.03	3.26	-116.42
CC(C(=O)[O-])C1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006230471	1	42	-2.0	-100.61	329.02	5.40	-95.21
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006230666	0	34	-2.0	-107.22	293.42	8.23	-98.99
CC1=C(CCC(=O)N(C)CCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006231741	1	53	-2.0	-100.76	423.87	7.91	-92.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCCCC(=O)[O-])=C1	REAL300006232087	0	43	-2.0	-104.24	367.20	5.23	-99.01
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCCCC(=O)[O-]	REAL300006232397	0	43	-2.0	-105.35	366.84	5.47	-99.88
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300006232443	1	45	-2.0	-110.35	388.10	10.83	-99.52
CN(CCCCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006232625	1	47	-2.0	-98.24	402.06	7.54	-90.70
CN(CCCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006232626	1	47	-2.0	-105.53	403.31	7.56	-97.97
CC1=CC(C(=O)N(C)CCCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006232639	0	43	-2.0	-84.11	382.74	5.72	-78.39
CN(CCCCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006232870	0	44	-2.0	-102.06	394.01	6.56	-95.50
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006232889	1	46	-2.0	-89.17	389.11	4.27	-84.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CCCCC(=O)[O-])O1	REAL300006232890	1	37	-2.0	-88.60	334.34	1.82	-86.78
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCCCC(=O)[O-])=C1	REAL300006233127	0	47	-2.0	-112.56	400.98	3.48	-109.08
CN(CCCCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006233171	0	40	-2.0	-103.94	345.37	4.57	-99.37
CN(CCCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006233178	0	44	-2.0	-104.67	393.42	6.53	-98.14
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CCCCC(=O)[O-])=CS1	REAL300006233527	1	44	-2.0	-106.29	378.85	6.17	-100.12
CN(CCCCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006233742	0	40	-2.0	-97.39	351.50	4.63	-92.76
CC1=C(CC(=O)N(C)CCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006233749	1	46	-2.0	-111.84	389.69	6.36	-105.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCCCC(=O)[O-]	REAL300006233754	0	46	-2.0	-105.87	388.32	6.25	-99.62
CC1=C(C(=O)N(C)CCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006233817	1	46	-2.0	-105.88	378.42	5.94	-99.94
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006233915	1	47	-2.0	-97.04	402.18	7.55	-89.49
CN(CCCCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006234467	0	46	-2.0	-109.63	391.35	6.82	-102.81
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006234636	1	36	-2.0	-106.17	321.91	6.98	-99.19
CN(CCCCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006234725	0	39	-2.0	-100.89	343.44	3.70	-97.19
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006234787	1	46	-2.0	-93.48	397.21	5.78	-87.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N2)=C1	REAL300006234802	0	49	-2.0	-116.83	402.54	9.40	-107.43
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N2)C=C1	REAL300006234803	0	49	-2.0	-116.01	402.47	9.42	-106.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N1	REAL300006234871	0	43	-2.0	-113.48	370.29	8.47	-105.01
CN(CCCCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006234875	0	40	-2.0	-115.10	348.69	7.56	-107.54
CN(CCCCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006234897	1	38	-2.0	-115.07	321.60	8.73	-106.34
CN(CCCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006234915	0	40	-2.0	-91.46	363.02	4.96	-86.50
CN(CCCCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300006234955	0	32	-2.0	-86.83	303.88	4.72	-82.11
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N2)=C1	REAL300006235005	0	43	-2.0	-121.15	367.60	8.09	-113.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N1	REAL300006235006	0	46	-2.0	-118.94	381.85	9.01	-109.93
CC1=C(CC(=O)N(C)CCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006235051	1	46	-2.0	-110.64	388.96	6.31	-104.33
CN(CCCCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006235085	0	33	-2.0	-91.28	304.42	6.15	-85.13
CCOC1=CC(C(=O)N(C)CCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006235171	1	40	-2.0	-95.13	349.28	7.13	-88.00
CN(CCCCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006235175	0	43	-2.0	-117.51	377.39	8.28	-109.23
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CCCCC(=O)[O-])=N2)C=C1	REAL300006235182	0	44	-2.0	-115.89	371.76	6.79	-109.10
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CCCCC(=O)[O-])=CO1	REAL300006235199	1	37	-2.0	-90.54	331.12	1.40	-89.14
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006235320	0	36	-2.0	-85.37	317.09	5.23	-80.14
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006235320	1	36	-2.0	-85.36	317.16	5.26	-80.10
CN(CCCCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006235585	1	41	-2.0	-104.20	345.79	5.59	-98.61
CN(CCCCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006235801	0	33	-2.0	-101.96	315.54	7.31	-94.65
CC1=C(C(=O)N(C)CCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006236033	0	41	-2.0	-108.49	358.70	5.02	-103.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300006238251	1	44	-2.0	-97.33	376.56	2.51	-94.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=CS1	REAL300006238717	1	51	-2.0	-112.17	417.72	6.89	-105.28
CC1=C(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006238900	1	53	-2.0	-118.18	428.49	6.98	-111.20
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006239789	1	40	-2.0	-102.70	330.23	6.69	-96.01
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006239799	1	43	-2.0	-120.06	360.50	9.21	-110.85
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=N1	REAL300006239883	0	46	-2.0	-104.67	384.58	4.82	-99.85
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006239908	1	45	-2.0	-112.99	362.48	6.23	-106.76
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300006239957	0	56	-2.0	-135.20	444.81	9.89	-125.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300006239958	0	56	-2.0	-133.55	444.99	9.83	-123.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300006240024	0	50	-2.0	-129.83	412.29	8.98	-120.85
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006240029	0	47	-2.0	-130.84	390.96	8.03	-122.81
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006240058	1	45	-2.0	-136.30	364.31	8.84	-127.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300006240191	0	50	-2.0	-138.22	409.55	8.55	-129.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300006240192	0	53	-2.0	-137.15	425.71	9.72	-127.43
CC1=C(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006240250	1	53	-2.0	-116.20	428.68	6.97	-109.23
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006240305	0	40	-2.0	-98.17	345.98	7.32	-90.85
COC1=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006240316	1	43	-2.0	-98.63	352.10	2.32	-96.31
O=C(CCCC1=N[N-]N=N1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240390	0	43	-2.0	-105.73	348.93	5.58	-100.15
O=C(CCCC1=NN=N[N-]1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300006240390	1	43	-2.0	-105.72	348.99	5.60	-100.12
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006240420	0	40	-2.0	-99.99	339.77	7.24	-92.75
CCOC1=CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006240424	1	47	-2.0	-103.31	391.03	8.21	-95.10
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300006240430	0	51	-2.0	-133.23	414.03	7.27	-125.96
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=CO1	REAL300006240445	1	44	-2.0	-103.57	375.74	2.48	-101.09
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006240579	0	43	-2.0	-91.67	359.72	5.33	-86.34
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006240579	1	43	-2.0	-91.62	359.79	5.33	-86.29
COCC1=NC=C(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C(=O)[N-]1	REAL300006240835	1	45	-2.0	-111.93	364.31	3.88	-108.05
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006240877	1	48	-2.0	-113.23	378.22	6.78	-106.45
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006241115	0	40	-2.0	-115.95	354.58	9.24	-106.71
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=C1	REAL300006242588	0	47	-2.0	-103.63	385.97	5.18	-98.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006242898	0	47	-2.0	-104.60	386.04	5.42	-99.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C=C1	REAL300006242946	1	49	-2.0	-114.74	407.35	10.52	-104.22
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)O1	REAL300006243387	1	50	-2.0	-89.74	410.64	3.75	-85.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)O1	REAL300006243388	1	41	-2.0	-89.50	357.02	1.22	-88.28
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006243660	0	44	-2.0	-103.20	364.58	4.52	-98.68
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC(CC(=O)[O-])C2(C)C)=CS1	REAL300006244018	1	48	-2.0	-106.13	399.06	5.63	-100.50
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006244258	0	44	-2.0	-96.70	370.98	4.58	-92.12
CC1=C(CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006244261	1	50	-2.0	-112.69	407.99	5.96	-106.73
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1(C)C	REAL300006244264	0	50	-2.0	-105.08	407.54	6.20	-98.88
CC1=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006244345	1	50	-2.0	-95.32	389.64	6.03	-89.29
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006245386	1	40	-2.0	-104.68	340.71	7.98	-96.70
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006245493	0	43	-2.0	-99.42	364.93	3.73	-95.69
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006245526	1	42	-2.0	-94.24	343.48	4.95	-89.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=N2)=C1	REAL300006245585	0	53	-2.0	-116.94	424.53	8.80	-108.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300006245586	0	53	-2.0	-114.41	425.15	8.59	-105.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=N1	REAL300006245676	0	47	-2.0	-111.58	391.99	7.91	-103.67
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006245681	0	44	-2.0	-112.66	370.68	6.94	-105.72
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006245712	1	42	-2.0	-114.31	344.53	7.60	-106.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=N2)=C1	REAL300006245867	0	47	-2.0	-119.47	389.02	7.53	-111.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=N1	REAL300006245868	0	50	-2.0	-116.78	398.54	8.67	-108.11
CC1=C(CC(=O)NC2CC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006245938	1	50	-2.0	-111.64	408.18	5.95	-105.69
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006245989	0	37	-2.0	-90.82	326.49	6.01	-84.81
COC1=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)NC(=O)[N-]C1=O	REAL300006246001	1	40	-2.0	-94.56	331.85	1.28	-93.28
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006246129	0	37	-2.0	-92.78	319.47	6.12	-86.66
CCOC1=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=CC(Cl)=C1[O-]	REAL300006246132	1	44	-2.0	-94.96	371.33	6.99	-87.97
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300006246144	0	48	-2.0	-114.42	394.44	5.97	-108.45
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC(CC(=O)[O-])C2(C)C)=CO1	REAL300006246167	1	41	-2.0	-98.22	356.25	1.19	-97.03
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006246323	0	40	-2.0	-88.43	339.24	4.30	-84.13
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006246323	1	40	-2.0	-88.41	339.30	4.30	-84.11
COCC1=NC=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(=O)[N-]1	REAL300006246644	1	42	-2.0	-93.72	345.33	2.60	-91.12
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006246688	1	45	-2.0	-94.17	359.30	5.50	-88.67
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006246987	0	37	-2.0	-100.47	334.78	8.01	-92.46
CC1=C(C(=O)NC2CC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006247290	0	45	-2.0	-106.74	368.24	5.27	-101.47
O=C([O-])C12CC(CNC(=O)C3=CC=C([O-])C(F)=C3)(C1)OC21CCOCC1	REAL300006249767	1	44	-2.0	-91.94	360.32	3.36	-88.58
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249833	0	44	-2.0	-88.15	357.72	1.45	-86.70
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006249833	1	44	-2.0	-88.14	357.78	1.46	-86.68
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)OC21CCOCC1	REAL300006249900	1	49	-2.0	-94.24	393.14	2.92	-91.32
O=C([O-])C12CC(CNC(=O)C3=CN=CC([O-])=C3)(C1)OC21CCOCC1	REAL300006249915	1	43	-2.0	-91.74	349.16	1.48	-90.26
O=C([O-])C12CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)OC21CCOCC1	REAL300006250009	1	49	-2.0	-107.33	394.48	5.54	-101.79
O=C([O-])C12CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)OC21CCOCC1	REAL300006250207	0	44	-2.0	-88.32	376.35	3.91	-84.41
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)NC(=O)[N-]C1=O	REAL300006250225	1	47	-2.0	-91.36	382.30	-0.99	-92.35
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250292	0	47	-2.0	-94.18	379.22	2.23	-91.95
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300006250292	1	47	-2.0	-94.21	379.28	2.24	-91.97
O=C([O-])C12CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(C1)OC21CCOCC1	REAL300006250317	0	44	-2.0	-88.50	370.12	3.85	-84.65
O=C([O-])C12CC(CNC(=O)C3=C[N-]N=CC3=O)(C1)OC21CCOCC1	REAL300006250586	0	42	-2.0	-84.16	340.32	1.88	-82.28
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(=O)[N-]1	REAL300006250606	1	49	-2.0	-93.14	395.23	0.52	-92.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300006253140	1	44	-2.0	-89.90	385.34	0.40	-89.50
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006253327	0	47	-2.0	-95.59	392.89	3.70	-91.89
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006253844	1	53	-2.0	-94.84	416.98	5.19	-89.65
O=C([O-])C12CC(CNC(=O)C3=CC=C([O-])C(F)=C3)(C1)OC21CCC1	REAL300006254814	1	40	-2.0	-89.92	337.99	4.62	-85.30
O=C([O-])C12CC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)OC21CCC1	REAL300006254827	1	43	-2.0	-95.32	369.03	7.18	-88.14
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254882	0	40	-2.0	-86.51	336.15	2.70	-83.81
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006254882	1	40	-2.0	-86.50	336.21	2.71	-83.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300006254954	0	46	-2.0	-93.12	393.94	2.73	-90.39
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)OC21CCC1	REAL300006254984	1	45	-2.0	-93.52	371.75	4.13	-89.39
O=C([O-])C12CC(CNC(=O)C3=CN=CC([O-])=C3)(C1)OC21CCC1	REAL300006255022	1	39	-2.0	-89.75	326.80	2.75	-87.00
O=C([O-])C12CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)OC21CCC1	REAL300006255174	1	45	-2.0	-106.32	372.84	6.80	-99.52
O=C([O-])C12CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)OC21CCC1	REAL300006255460	0	40	-2.0	-86.40	353.97	5.18	-81.22
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)NC(=O)[N-]C1=O	REAL300006255479	1	43	-2.0	-90.03	360.87	0.27	-89.76
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255572	0	43	-2.0	-91.81	356.90	3.48	-88.33
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300006255572	1	43	-2.0	-91.78	356.96	3.50	-88.28
O=C([O-])C12CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(C1)OC21CCC1	REAL300006255606	0	40	-2.0	-86.54	347.78	5.10	-81.44
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC(Cl)=C1[O-]	REAL300006255609	1	47	-2.0	-90.59	398.81	6.14	-84.45
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CO1	REAL300006255641	1	44	-2.0	-91.34	384.47	0.37	-90.97
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC21CCC1	REAL300006255797	0	43	-2.0	-83.74	368.24	3.28	-80.46
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC21CCC1	REAL300006255797	1	43	-2.0	-83.69	368.31	3.28	-80.41
O=C([O-])C12CC(CNC(=O)C3=C[N-]N=CC3=O)(C1)OC21CCC1	REAL300006256068	0	38	-2.0	-83.91	319.76	3.18	-80.73
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(=O)[N-]1	REAL300006256100	1	45	-2.0	-92.63	373.59	1.78	-90.85
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)OC21CCC1	REAL300006256146	1	48	-2.0	-93.58	387.51	4.68	-88.90
O=C([O-])C12CC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)OC21CCC1	REAL300006256440	0	40	-2.0	-92.13	363.10	7.21	-84.92
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006259441	1	51	-2.0	-120.49	409.08	5.59	-114.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])O1	REAL300006259442	1	42	-2.0	-117.84	353.63	3.17	-114.67
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=CS1	REAL300006259912	1	49	-2.0	-109.57	397.03	7.05	-102.52
CC1=C(CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006260101	1	51	-2.0	-128.91	407.89	7.25	-121.66
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006261001	1	38	-2.0	-110.48	309.43	6.49	-103.99
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006261011	1	41	-2.0	-123.43	341.06	8.21	-115.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=N1	REAL300006261095	0	44	-2.0	-116.17	364.64	4.54	-111.63
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006261119	1	43	-2.0	-134.70	348.13	6.70	-128.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=N2)=C1	REAL300006261169	0	54	-2.0	-143.45	418.46	10.31	-133.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=N2)C=C1	REAL300006261170	0	54	-2.0	-139.25	418.88	10.34	-128.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300006261237	0	48	-2.0	-134.92	390.83	9.52	-125.40
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006261242	0	45	-2.0	-132.73	365.35	8.49	-124.24
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006261272	1	43	-2.0	-135.21	340.60	9.96	-125.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=N2)=C1	REAL300006261407	0	48	-2.0	-143.54	383.68	9.07	-134.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300006261408	0	51	-2.0	-145.51	402.59	9.73	-135.78
CC1=C(CC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006261466	1	51	-2.0	-127.48	407.16	7.19	-120.29
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006261521	0	38	-2.0	-107.42	323.84	7.02	-100.40
COC1=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006261532	1	41	-2.0	-111.93	335.64	1.60	-110.33
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300006261606	0	41	-2.0	-97.82	328.58	5.81	-92.01
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300006261606	1	41	-2.0	-97.80	328.63	5.82	-91.98
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006261636	0	38	-2.0	-107.67	319.25	6.99	-100.68
CCOC1=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006261640	1	45	-2.0	-114.16	368.69	8.01	-106.15
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=N2)C=C1	REAL300006261646	0	49	-2.0	-137.95	388.04	7.72	-130.23
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=CO1	REAL300006261661	1	42	-2.0	-108.54	352.29	3.12	-105.42
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006261798	0	41	-2.0	-101.33	336.02	6.42	-94.91
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006261798	1	41	-2.0	-101.25	336.08	6.42	-94.83
COCC1=NC=C(C(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(=O)[N-]1	REAL300006262056	1	43	-2.0	-131.36	350.22	4.29	-127.07
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006262098	1	46	-2.0	-131.97	354.71	7.58	-124.39
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006262338	0	38	-2.0	-119.32	335.14	8.26	-111.06
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006263997	1	51	-2.0	-102.31	404.11	5.45	-96.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])O1	REAL300006263998	1	42	-2.0	-101.02	350.49	2.91	-98.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=CS1	REAL300006264468	1	49	-2.0	-128.56	396.27	7.13	-121.43
CC1=C(CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006264657	1	51	-2.0	-139.89	405.34	7.46	-132.43
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006265557	1	38	-2.0	-107.60	302.88	6.98	-100.62
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006265567	1	41	-2.0	-136.78	337.14	8.79	-127.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006265651	0	44	-2.0	-119.04	360.24	4.73	-114.31
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006265675	1	43	-2.0	-131.34	329.35	6.49	-124.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006265725	0	54	-2.0	-146.46	418.87	10.62	-135.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006265726	0	54	-2.0	-145.27	418.80	10.64	-134.63
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300006265793	0	48	-2.0	-142.10	386.12	9.73	-132.37
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006265798	0	45	-2.0	-143.42	366.19	8.47	-134.95
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006265828	1	43	-2.0	-147.88	339.83	9.82	-138.06
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006265963	0	48	-2.0	-150.59	383.36	9.35	-141.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300006265964	0	51	-2.0	-148.95	398.74	9.97	-138.98
CC1=C(CC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006266022	1	51	-2.0	-138.69	406.62	7.30	-131.39
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006266077	0	38	-2.0	-105.09	319.29	7.08	-98.01
COC1=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006266088	1	41	-2.0	-105.58	327.16	2.65	-102.93
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL300006266162	0	41	-2.0	-115.21	325.80	5.98	-109.23
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL300006266162	1	41	-2.0	-115.26	325.86	5.99	-109.27
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006266192	0	38	-2.0	-106.19	312.68	7.47	-98.72
CCOC1=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006266196	1	45	-2.0	-116.22	365.07	7.98	-108.24
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006266202	0	49	-2.0	-144.79	388.08	8.01	-136.78
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=CO1	REAL300006266217	1	42	-2.0	-112.74	350.94	2.50	-110.24
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006266354	0	41	-2.0	-97.87	334.50	6.08	-91.79
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006266354	1	41	-2.0	-97.85	334.56	6.08	-91.77
COCC1=NC=C(C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(=O)[N-]1	REAL300006266612	1	43	-2.0	-120.64	349.61	3.73	-116.91
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006266654	1	46	-2.0	-121.90	363.52	6.63	-115.27
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006266894	0	38	-2.0	-114.98	322.78	8.93	-106.05
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(OCC(F)F)C=C1	REAL300006269212	1	38	-2.0	-105.61	350.34	6.12	-99.49
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300006269274	0	38	-2.0	-102.41	347.79	4.17	-98.24
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300006269274	1	38	-2.0	-102.38	347.85	4.19	-98.19
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(OCC(F)F)C=C1	REAL300006269338	1	43	-2.0	-117.34	383.37	5.61	-111.73
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(OCC(F)F)C=C1	REAL300006269352	1	37	-2.0	-109.91	339.18	4.20	-105.71
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)NC(=O)[N-]C1=O	REAL300006269633	1	41	-2.0	-103.17	371.89	1.77	-101.40
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300006269697	0	41	-2.0	-111.16	369.29	4.95	-106.21
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300006269697	1	41	-2.0	-111.12	369.35	4.97	-106.15
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(OCC(F)F)C=C1	REAL300006269720	0	38	-2.0	-103.62	360.14	6.60	-97.02
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(OCC(F)F)C=C1	REAL300006269971	0	36	-2.0	-107.30	331.44	4.65	-102.65
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C(=O)[N-]1	REAL300006269990	1	43	-2.0	-116.90	385.12	3.31	-113.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300006271621	1	42	-2.0	-98.18	384.11	1.61	-96.57
COC1=CC=C(CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C(=O)[O-])C=C1	REAL300006271811	0	45	-2.0	-116.76	391.90	4.86	-111.90
COC1=CC=C(CC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C(=O)[O-])C=C1	REAL300006272343	1	51	-2.0	-114.68	416.33	6.36	-108.32
COC1=CC=C(CC(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300006273340	1	38	-2.0	-101.27	337.47	5.87	-95.40
COC1=CC=C(CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1	REAL300006273353	1	41	-2.0	-119.65	367.87	8.39	-111.26
COC1=CC=C(CC(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006273409	0	38	-2.0	-97.17	334.98	3.91	-93.26
COC1=CC=C(CC(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006273409	1	38	-2.0	-97.23	335.04	3.93	-93.30
COC1=CC=C(CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300006273489	0	44	-2.0	-104.07	393.01	3.88	-100.19
COC1=CC=C(CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300006273520	1	43	-2.0	-111.13	370.51	5.36	-105.77
COC1=CC=C(CC(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300006273559	1	37	-2.0	-104.87	326.37	3.97	-100.90
COC1=CC=C(CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300006273671	0	45	-2.0	-129.89	398.51	7.13	-122.76
COC1=CC=C(CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300006273717	1	43	-2.0	-134.73	371.91	7.95	-126.78
COC1=CC=C(CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300006274005	0	38	-2.0	-97.41	353.78	6.34	-91.07
COC1=CC=C(CC(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1	REAL300006274024	1	41	-2.0	-99.04	359.03	1.45	-97.59
COC1=CC=C(CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006274120	0	41	-2.0	-106.13	356.66	4.64	-101.49
COC1=CC=C(CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006274120	1	41	-2.0	-106.10	356.72	4.65	-101.45
COC1=CC=C(CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300006274155	0	38	-2.0	-99.24	347.51	6.29	-92.95
CCOC1=CC(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006274159	1	45	-2.0	-103.64	398.57	7.33	-96.31
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CO1	REAL300006274192	1	42	-2.0	-104.09	383.48	1.54	-102.55
COC1=CC=C(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300006274352	0	41	-2.0	-91.32	367.31	4.44	-86.88
COC1=CC=C(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300006274352	1	41	-2.0	-91.24	367.38	4.43	-86.81
COC1=CC=C(CC(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300006274629	0	36	-2.0	-102.23	318.77	4.33	-97.90
COCC1=NC=C(C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300006274662	1	43	-2.0	-111.46	372.55	2.95	-108.51
COC1=CC=C(CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300006274710	1	46	-2.0	-111.31	386.27	5.90	-105.41
COC1=CC=C(CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1	REAL300006275012	0	38	-2.0	-115.40	361.93	8.42	-106.98
C=CCSCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006276220	0	42	-2.0	-115.50	382.49	5.15	-110.35
C=CCSCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300006276525	0	42	-2.0	-116.52	383.24	5.31	-111.21
C=CCSCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300006276572	1	44	-2.0	-124.74	405.24	10.23	-114.51
C=CCSCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006277004	1	45	-2.0	-97.04	409.68	3.51	-93.53
C=CCSCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300006277005	1	36	-2.0	-95.85	354.22	1.10	-94.75
C=CCSCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006277274	0	39	-2.0	-114.74	361.77	4.42	-110.32
C=CCSCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300006277623	1	43	-2.0	-110.46	395.97	5.51	-104.95
C=CCSCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006277858	0	39	-2.0	-107.26	368.19	4.48	-102.78
C=CCSCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300006277861	1	45	-2.0	-116.37	406.82	5.70	-110.67
C=CCSCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300006277864	0	45	-2.0	-117.20	404.97	6.04	-111.16
C=CCSCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300006277948	1	45	-2.0	-112.10	385.93	5.90	-106.20
C=CCSCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006278987	1	35	-2.0	-117.19	337.25	7.93	-109.26
C=CCSCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006279094	0	38	-2.0	-102.91	362.15	3.50	-99.41
C=CCSCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300006279127	1	37	-2.0	-110.31	340.05	4.90	-105.41
C=CCSCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300006279185	0	48	-2.0	-132.92	422.42	8.48	-124.44
C=CCSCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300006279186	0	48	-2.0	-131.28	422.59	8.41	-122.87
C=CCSCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300006279280	0	42	-2.0	-127.64	389.89	7.58	-120.06
C=CCSCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006279285	0	39	-2.0	-128.41	368.57	6.63	-121.78
C=CCSCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006279318	1	37	-2.0	-133.46	341.73	7.51	-125.95
C=CCSCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300006279479	0	42	-2.0	-135.69	387.15	7.15	-128.54
C=CCSCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300006279480	0	45	-2.0	-134.48	403.66	8.23	-126.25
C=CCSCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300006279554	1	45	-2.0	-113.52	405.43	5.70	-107.82
C=CCSCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006279608	0	32	-2.0	-95.70	322.92	5.96	-89.74
C=CCSCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300006279622	1	35	-2.0	-96.92	329.75	0.98	-95.94
C=CCSCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006279754	0	32	-2.0	-98.20	317.38	5.83	-92.37
C=CCSCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300006279757	1	39	-2.0	-101.37	368.44	6.89	-94.48
C=CCSCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300006279769	0	43	-2.0	-130.94	391.63	5.86	-125.08
C=CCSCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300006279793	1	36	-2.0	-101.34	353.36	1.09	-100.25
C=CCSCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006279950	0	35	-2.0	-90.05	337.13	3.98	-86.07
C=CCSCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006279950	1	35	-2.0	-90.02	337.20	3.99	-86.03
C=CCSCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300006280272	1	37	-2.0	-109.28	342.42	2.50	-106.78
C=CCSCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006280316	1	40	-2.0	-110.95	356.48	5.39	-105.56
C=CCSCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006280618	0	32	-2.0	-113.54	332.22	7.85	-105.69
C=CCSCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300006280915	0	40	-2.0	-114.90	366.16	4.97	-109.93
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300006282048	1	44	-2.0	-123.08	377.81	6.41	-116.67
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300006282346	1	44	-2.0	-124.49	377.86	6.64	-117.85
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300006282391	1	46	-2.0	-135.75	398.81	11.62	-124.13
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006282821	1	47	-2.0	-98.59	402.57	4.96	-93.63
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300006282822	1	38	-2.0	-98.43	347.11	2.47	-95.96
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006283091	0	41	-2.0	-122.73	356.40	5.74	-116.99
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006283441	1	45	-2.0	-124.88	389.55	6.92	-117.96
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006283677	0	41	-2.0	-114.30	362.83	5.80	-108.50
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006283680	1	47	-2.0	-126.79	398.79	7.01	-119.78
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1CC	REAL300006283683	1	47	-2.0	-125.10	399.36	7.43	-117.67
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300006283764	1	47	-2.0	-105.88	379.03	7.29	-98.59
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(OC)C=C1[O-]	REAL300006284270	1	38	-2.0	-137.95	321.53	7.43	-130.52
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006284824	1	34	-2.0	-109.14	301.18	6.74	-102.40
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006284835	1	37	-2.0	-127.89	330.82	9.12	-118.77
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006284942	0	40	-2.0	-106.68	356.41	4.84	-101.84
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006284978	1	39	-2.0	-107.44	334.28	6.14	-101.30
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006285036	0	50	-2.0	-138.47	416.20	9.76	-128.71
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006285037	0	50	-2.0	-135.91	415.93	9.87	-126.04
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006285132	0	44	-2.0	-132.83	377.92	8.94	-123.89
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006285137	0	41	-2.0	-136.20	362.35	7.91	-128.29
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006285175	0	39	-2.0	-137.92	336.34	8.72	-129.20
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006285341	0	44	-2.0	-142.73	380.69	8.49	-134.24
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300006285342	0	47	-2.0	-138.92	389.76	9.76	-129.16
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006285419	1	47	-2.0	-124.69	399.67	7.06	-117.63
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006285479	0	34	-2.0	-103.83	317.18	7.30	-96.53
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300006285596	0	37	-2.0	-117.62	320.13	5.59	-112.03
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300006285596	1	37	-2.0	-117.64	320.18	5.60	-112.04
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006285632	0	34	-2.0	-105.60	310.98	7.23	-98.37
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2CC)=CC(Cl)=C1[O-]	REAL300006285635	1	41	-2.0	-106.80	362.02	8.27	-98.53
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006285645	0	45	-2.0	-135.62	385.22	7.25	-128.37
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300006285669	1	38	-2.0	-114.11	347.99	2.40	-111.71
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300006285761	0	42	-2.0	-119.15	359.39	11.17	-107.98
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300006285761	1	42	-2.0	-119.22	359.34	11.18	-108.04
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006285835	0	37	-2.0	-96.10	330.08	5.34	-90.76
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006285835	1	37	-2.0	-96.08	330.02	5.34	-90.74
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300006286167	1	39	-2.0	-107.13	336.12	3.79	-103.34
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006286215	1	42	-2.0	-107.46	350.03	6.69	-100.77
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006286536	0	34	-2.0	-122.72	324.89	9.16	-113.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300006288130	1	45	-2.0	-92.38	406.37	1.97	-90.41
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006289574	1	41	-2.0	-100.39	362.89	6.64	-93.75
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006289589	1	44	-2.0	-112.13	393.21	9.16	-102.97
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300006289650	0	41	-2.0	-95.55	360.46	4.69	-90.86
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300006289650	1	41	-2.0	-95.57	360.51	4.70	-90.87
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006289740	1	46	-2.0	-115.31	389.26	6.71	-108.60
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300006289766	1	40	-2.0	-101.88	351.73	4.75	-97.13
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006289901	1	46	-2.0	-125.22	393.88	8.35	-116.87
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006290171	0	41	-2.0	-96.89	378.89	7.19	-89.70
COC1=C(C(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300006290190	1	44	-2.0	-105.82	378.28	2.33	-103.49
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300006290280	0	44	-2.0	-99.73	381.82	5.47	-94.26
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300006290280	1	44	-2.0	-99.77	381.88	5.49	-94.28
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006290312	0	41	-2.0	-97.82	372.68	7.12	-90.70
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=CO1	REAL300006290342	1	45	-2.0	-99.25	408.66	2.37	-96.88
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006290473	0	44	-2.0	-88.34	389.28	4.84	-83.50
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006290473	1	44	-2.0	-88.30	389.35	4.84	-83.46
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300006290702	0	39	-2.0	-102.25	343.92	5.17	-97.08
COCC1=NC=C(C(=O)N[C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]1	REAL300006290731	1	46	-2.0	-114.50	391.13	4.37	-110.13
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006290772	1	49	-2.0	-115.50	405.04	7.25	-108.25
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006291038	0	41	-2.0	-108.52	384.15	8.76	-99.76
COC[C@@H](CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300006291788	1	51	-2.0	-112.55	414.64	4.54	-108.01
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300006292133	0	41	-2.0	-108.25	353.57	1.90	-106.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](COC)CC(=O)[O-]	REAL300006292438	0	41	-2.0	-109.29	353.64	2.13	-107.16
COC[C@@H](CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300006292485	1	43	-2.0	-121.41	379.44	7.41	-114.00
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006292668	1	45	-2.0	-100.39	392.72	4.14	-96.25
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006292669	1	45	-2.0	-108.00	396.04	4.57	-103.43
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300006292682	0	41	-2.0	-90.13	377.29	2.76	-87.37
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006292912	0	42	-2.0	-98.70	384.66	3.14	-95.56
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006292931	1	44	-2.0	-91.13	379.38	0.39	-90.74
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](COC)CC(=O)[O-])O1	REAL300006292932	1	35	-2.0	-90.26	324.61	-2.05	-92.31
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300006293167	0	45	-2.0	-117.84	391.78	0.51	-117.33
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006293211	0	38	-2.0	-107.70	332.17	1.23	-106.47
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006293219	0	42	-2.0	-106.11	387.98	3.57	-102.54
COC[C@@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006293572	1	42	-2.0	-103.17	369.48	2.79	-100.38
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006293791	0	38	-2.0	-102.59	341.86	1.76	-100.83
COC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006293798	1	44	-2.0	-111.60	376.28	2.49	-109.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](COC)CC(=O)[O-]	REAL300006293803	0	44	-2.0	-109.78	375.14	2.92	-106.86
COC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300006293866	1	44	-2.0	-99.45	355.75	2.72	-96.73
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006293963	1	45	-2.0	-96.27	392.90	4.13	-92.14
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006294520	0	44	-2.0	-113.17	381.33	3.96	-109.21
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006294696	1	34	-2.0	-109.15	311.59	5.15	-104.00
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006294787	0	37	-2.0	-103.23	336.36	0.73	-102.50
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006294849	1	44	-2.0	-92.68	387.94	2.36	-90.32
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006294864	0	47	-2.0	-127.99	396.10	5.76	-122.23
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006294865	0	47	-2.0	-125.88	396.02	5.77	-120.11
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006294933	0	41	-2.0	-120.23	357.88	4.80	-115.43
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006294937	0	38	-2.0	-118.88	338.96	3.46	-115.42
COC[C@@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006294959	1	36	-2.0	-121.97	312.12	4.33	-117.64
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006294977	0	38	-2.0	-91.41	357.58	2.00	-89.41
COC[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006295019	0	30	-2.0	-93.83	293.69	1.28	-92.55
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006295071	0	41	-2.0	-124.57	357.31	4.10	-120.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](COC)CC(=O)[O-])=N1	REAL300006295072	0	44	-2.0	-126.74	369.85	5.52	-121.22
COC[C@@H](CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006295117	1	44	-2.0	-109.91	376.47	2.48	-107.43
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006295152	0	31	-2.0	-94.93	297.13	3.17	-91.76
COC[C@@H](CC(=O)[O-])NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300006295156	1	34	-2.0	-106.42	295.04	-1.85	-108.27
CCOC1=CC(C(=O)N[C@@H](COC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006295241	1	38	-2.0	-100.24	341.97	4.15	-96.09
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006295245	0	41	-2.0	-125.20	362.45	4.82	-120.38
COC[C@@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006295253	0	42	-2.0	-125.45	365.31	3.14	-122.31
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](COC)CC(=O)[O-])=CO1	REAL300006295271	1	35	-2.0	-97.86	326.89	-1.64	-99.50
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006295391	0	34	-2.0	-86.12	307.51	0.82	-85.30
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006295391	1	34	-2.0	-86.13	307.59	0.82	-85.31
COC[C@@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006295667	1	39	-2.0	-98.93	325.61	2.20	-96.73
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006295888	0	31	-2.0	-105.68	302.38	4.73	-100.95
COC[C@@H](CC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300006296123	0	39	-2.0	-102.33	336.00	1.81	-100.52
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300006297042	1	42	-2.0	-105.75	378.55	3.79	-101.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(COC)=C(C(=O)[O-])S1	REAL300006297291	1	42	-2.0	-106.88	378.63	4.01	-102.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)O1	REAL300006297667	1	36	-2.0	-89.23	349.59	-0.19	-89.42
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300006297873	0	39	-2.0	-105.47	357.16	3.12	-102.35
COCC1=C(C(=O)[O-])SC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300006298176	1	43	-2.0	-109.62	391.37	4.22	-105.40
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=C1	REAL300006298460	1	45	-2.0	-94.42	381.86	4.66	-89.76
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(OC)C=C2[O-])=C1	REAL300006298935	1	36	-2.0	-112.43	324.01	4.79	-107.64
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300006299473	1	32	-2.0	-96.30	302.97	4.05	-92.25
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300006299486	1	35	-2.0	-106.51	333.30	6.48	-100.03
COCC1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300006299532	0	32	-2.0	-93.04	300.45	2.11	-90.93
COCC1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300006299532	1	32	-2.0	-92.97	300.51	2.12	-90.85
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300006299613	0	38	-2.0	-96.25	358.20	2.15	-94.10
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300006299648	1	37	-2.0	-93.83	336.38	3.66	-90.17
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300006299689	1	31	-2.0	-97.27	291.81	2.16	-95.11
COCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300006299804	0	39	-2.0	-114.15	363.95	5.32	-108.83
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300006299850	0	37	-2.0	-115.91	337.11	6.10	-109.81
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300006300137	0	32	-2.0	-91.35	318.98	4.59	-86.76
COCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300006300255	0	35	-2.0	-104.27	321.95	2.89	-101.38
COCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300006300255	1	35	-2.0	-104.26	322.01	2.90	-101.36
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300006300292	0	32	-2.0	-92.85	312.77	4.54	-88.31
CCOC1=CC(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300006300295	1	39	-2.0	-95.00	363.82	5.57	-89.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(COC)=C(C(=O)[O-])S2)=CO1	REAL300006300329	1	36	-2.0	-100.25	348.74	-0.21	-100.46
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300006300419	0	40	-2.0	-101.01	361.22	8.49	-92.52
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300006300419	1	40	-2.0	-101.07	361.17	8.48	-92.59
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300006300494	0	35	-2.0	-86.39	332.57	2.69	-83.70
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300006300494	1	35	-2.0	-86.41	332.51	2.69	-83.72
COCC1=C(C(=O)[O-])SC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300006300779	0	30	-2.0	-85.87	284.02	2.59	-83.28
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(COC)[N-]C2=O)=C1	REAL300006300813	1	37	-2.0	-93.18	338.50	1.27	-91.91
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300006300861	1	40	-2.0	-93.57	352.39	4.15	-89.42
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300006301173	0	32	-2.0	-102.48	327.37	6.52	-95.96
O=C([O-])C1CCC2=NC(NC(=O)C3=N[N-]C4=CC=CC=C4C3=O)=NN2C1	REAL300006302155	0	38	-2.0	-94.48	333.06	8.69	-85.79
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)=C1	REAL300006302352	1	44	-2.0	-96.71	378.55	6.75	-89.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006302612	1	44	-2.0	-97.72	378.62	6.97	-90.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)O1	REAL300006303018	1	38	-2.0	-85.96	349.60	2.78	-83.18
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006303251	0	41	-2.0	-96.46	357.16	6.08	-90.38
CC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C([O-])=C1	REAL300006303284	1	37	-2.0	-104.76	316.02	9.16	-95.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)=CS1	REAL300006303572	1	45	-2.0	-97.62	391.07	7.17	-90.45
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300006303781	0	41	-2.0	-90.36	363.57	6.15	-84.21
CC1=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006303870	1	47	-2.0	-91.94	381.98	7.58	-84.36
COC1=CC=C(C(=O)NC2=NN3CC(C(=O)[O-])CCC3=N2)C([O-])=C1	REAL300006304358	1	38	-2.0	-105.09	324.01	7.82	-97.27
O=C([O-])C1CCC2=NC(NC(=O)C3=CC=C([O-])C(F)=C3)=NN2C1	REAL300006304916	1	34	-2.0	-89.25	302.97	7.02	-82.23
O=C([O-])C1CCC2=NC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=NN2C1	REAL300006304929	1	37	-2.0	-96.64	333.29	9.50	-87.14
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O=C([O-])[C@H]1CC[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300006317068	0	44	-2.0	-115.94	374.41	7.49	-108.45
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C=C1	REAL300006317076	0	45	-2.0	-113.17	375.31	5.39	-107.78
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)=CO1	REAL300006317096	1	38	-2.0	-98.44	337.03	0.61	-97.83
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006317227	0	37	-2.0	-84.64	319.48	3.46	-81.18
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006317227	1	37	-2.0	-84.63	319.55	3.48	-81.15
COCC1=NC=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]1	REAL300006317499	1	39	-2.0	-90.36	324.77	2.00	-88.36
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006317538	1	42	-2.0	-90.77	338.67	4.91	-85.86
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006317799	0	34	-2.0	-99.93	315.66	7.44	-92.49
CC1=C(C(=O)N[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006318060	0	42	-2.0	-94.70	348.43	4.46	-90.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CF)(C(=O)[O-])C2)=C1	REAL300006321419	0	41	-2.0	-126.81	350.79	4.37	-122.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006321730	0	41	-2.0	-113.87	349.83	4.48	-109.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CF)(C(=O)[O-])C2)C=C1	REAL300006321780	1	43	-2.0	-116.04	371.16	9.85	-106.19
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)O1	REAL300006322228	1	44	-2.0	-94.61	373.80	3.18	-91.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)O1	REAL300006322229	1	35	-2.0	-93.14	318.36	0.79	-92.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006322502	0	38	-2.0	-112.04	328.35	3.59	-108.45
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CF)(C(=O)[O-])C2)=CS1	REAL300006322873	1	42	-2.0	-109.47	364.05	5.23	-104.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006323110	0	38	-2.0	-96.54	338.20	3.74	-92.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006323116	0	44	-2.0	-114.55	371.33	5.27	-109.28
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(CF)(C(=O)[O-])C1	REAL300006323969	0	44	-2.0	-133.41	374.89	5.95	-127.46
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006324163	1	34	-2.0	-114.16	304.47	6.45	-107.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C=N1	REAL300006324262	0	37	-2.0	-93.38	325.93	2.74	-90.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CF)(C(=O)[O-])C3)=N2)=C1	REAL300006324347	0	47	-2.0	-127.39	387.22	8.48	-118.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CF)(C(=O)[O-])C3)=N2)C=C1	REAL300006324348	0	47	-2.0	-121.90	386.44	8.30	-113.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CF)(C(=O)[O-])C2)=N1	REAL300006324430	0	41	-2.0	-131.78	353.53	7.51	-124.27
O=C([O-])C1(CF)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006324435	0	38	-2.0	-119.05	332.66	6.45	-112.60
O=C([O-])C1(CF)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006324461	1	36	-2.0	-122.41	305.14	7.60	-114.81
O=C([O-])C1(CF)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006324482	0	38	-2.0	-105.66	348.60	4.08	-101.58
O=C([O-])C1(CF)CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006324531	0	30	-2.0	-84.03	287.48	3.74	-80.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CF)(C(=O)[O-])C3)=N2)=C1	REAL300006324596	0	41	-2.0	-131.00	351.70	7.21	-123.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CF)(C(=O)[O-])C2)=N1	REAL300006324597	0	44	-2.0	-139.17	368.63	8.30	-130.87
O=C([O-])C1(CF)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006324706	0	31	-2.0	-104.58	288.38	5.26	-99.32
COC1=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006324715	1	34	-2.0	-92.49	291.44	0.78	-91.71
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300006324820	0	31	-2.0	-91.52	281.90	5.08	-86.44
CCOC1=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006324824	1	38	-2.0	-105.02	330.08	6.07	-98.95
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CF)(C(=O)[O-])C3)=N2)C=C1	REAL300006324836	0	42	-2.0	-121.65	355.72	5.67	-115.98
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CF)(C(=O)[O-])C2)=CO1	REAL300006324857	1	35	-2.0	-110.29	316.69	0.58	-109.71
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006324995	0	34	-2.0	-95.44	301.97	4.25	-91.19
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006324995	1	34	-2.0	-95.37	302.04	4.25	-91.12
COCC1=NC=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(=O)[N-]1	REAL300006325278	1	36	-2.0	-108.51	316.24	1.79	-106.72
O=C([O-])C1(CF)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006325582	0	31	-2.0	-119.22	299.11	6.54	-112.68
CC1=C(C(=O)N2CCC(CF)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006325845	1	39	-2.0	-134.79	343.31	4.40	-130.39
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C=C1	REAL300006326082	1	43	-2.0	-96.98	374.95	7.93	-89.05
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326089	1	43	-2.0	-122.55	366.35	7.67	-114.88
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=CC=C1	REAL300006326091	1	40	-2.0	-110.04	353.56	7.11	-102.93
O=C([O-])C1CCCC(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300006326092	1	43	-2.0	-112.36	348.96	6.49	-105.87
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326095	1	42	-2.0	-100.06	338.05	5.87	-94.19
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300006326098	1	43	-2.0	-97.94	354.69	6.66	-91.28
O=C([O-])C1CCC(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300006326099	1	43	-2.0	-98.46	356.00	6.68	-91.78
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C=C1	REAL300006326100	1	40	-2.0	-102.45	353.56	7.12	-95.33
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326101	1	36	-2.0	-106.22	330.70	3.12	-103.10
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300006326104	1	40	-2.0	-108.91	336.37	6.03	-102.88
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCCCO4)S3)(C1)C2	REAL300006326109	1	38	-2.0	-100.88	332.43	6.00	-94.88
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1	REAL300006326110	1	37	-2.0	-119.78	316.35	5.45	-114.33
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326111	1	46	-2.0	-104.76	365.35	7.13	-97.63
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCO4)S3)(CC1)C2	REAL300006326112	1	44	-2.0	-104.22	362.69	6.81	-97.41
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCO4)S3)(CC1)CC2	REAL300006326113	1	47	-2.0	-97.39	374.55	7.32	-90.07
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326114	1	42	-2.0	-100.06	338.05	5.87	-94.19
CC(CC(=O)[O-])CC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326115	1	39	-2.0	-104.20	328.30	5.50	-98.70
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCC1	REAL300006326119	1	40	-2.0	-121.79	332.21	6.26	-115.53
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326122	1	37	-2.0	-104.86	335.63	4.60	-100.26
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2(CCC2)C1	REAL300006326124	1	44	-2.0	-122.93	360.70	7.16	-115.77
O=C([O-])CSCCC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326126	1	37	-2.0	-95.97	338.73	5.64	-90.33
O=C([O-])COCC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326128	1	34	-2.0	-110.96	307.83	4.25	-106.71
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)O[C@H]1C(=O)[O-]	REAL300006326130	1	41	-2.0	-111.39	351.38	5.90	-105.49
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326131	1	42	-2.0	-108.35	348.85	5.98	-102.37
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326136	1	40	-2.0	-118.07	361.65	2.13	-115.94
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300006326138	1	40	-2.0	-108.91	336.37	6.03	-102.88
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326142	1	37	-2.0	-119.74	334.96	4.62	-115.12
O=C(CCCN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326143	1	43	-2.0	-116.85	378.57	5.98	-110.87
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326144	1	37	-2.0	-127.89	317.08	5.30	-122.59
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)O1	REAL300006326145	1	44	-2.0	-108.91	372.84	6.35	-102.56
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326146	1	44	-2.0	-100.45	371.60	5.24	-95.21
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326147	1	37	-2.0	-127.89	317.08	5.30	-122.59
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326149	1	45	-2.0	-130.76	360.38	7.49	-123.27
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326150	1	39	-2.0	-118.59	324.18	5.23	-113.36
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326151	1	43	-2.0	-124.22	343.25	7.13	-117.09
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326152	1	45	-2.0	-98.08	368.08	4.48	-93.60
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1C1=CC=CC=C1	REAL300006326153	1	44	-2.0	-120.26	372.31	8.52	-111.74
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C2=CC=CC=C12	REAL300006326155	1	44	-2.0	-113.31	386.90	8.57	-104.74
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300006326156	1	41	-2.0	-104.67	351.27	6.80	-97.87
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300006326157	1	37	-2.0	-110.25	320.61	5.44	-104.81
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326158	1	43	-2.0	-133.31	360.77	7.17	-126.14
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300006326160	1	40	-2.0	-104.61	338.01	5.86	-98.75
CCCC(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326164	1	39	-2.0	-119.29	330.44	5.70	-113.59
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300006326167	1	44	-2.0	-98.16	369.53	7.32	-90.84
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC=CC1	REAL300006326170	1	38	-2.0	-121.88	326.14	5.96	-115.92
O=C([O-])CC1(CC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300006326173	1	40	-2.0	-111.03	341.48	6.15	-104.88
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300006326174	1	41	-2.0	-99.50	362.97	6.96	-92.54
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326176	1	34	-2.0	-120.66	306.14	4.10	-116.56
C[C@]1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C[C@H]1C(=O)[O-]	REAL300006326177	1	37	-2.0	-129.31	324.93	5.48	-123.83
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326183	1	42	-2.0	-124.17	362.46	5.91	-118.26
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCCCO4)S3)(C1)OC2	REAL300006326184	1	39	-2.0	-101.27	339.41	3.97	-97.30
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326186	1	37	-2.0	-118.03	317.92	5.95	-112.08
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2(CCC2)C1	REAL300006326187	1	44	-2.0	-122.93	360.70	7.16	-115.77
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326194	1	38	-2.0	-121.67	331.00	6.02	-115.65
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326196	1	42	-2.0	-137.24	349.23	4.62	-132.62
CC(C)[C@]1(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C[C@H]1C(=O)[O-]	REAL300006326198	1	43	-2.0	-131.89	358.81	6.54	-125.35
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326199	1	43	-2.0	-103.19	370.25	7.59	-95.60
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326200	1	37	-2.0	-106.23	345.10	6.26	-99.97
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C=C1F	REAL300006326201	1	40	-2.0	-103.11	358.10	7.16	-95.95
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300006326202	1	40	-2.0	-127.20	335.54	5.98	-121.22
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCO4)S3)(CC1)CC2	REAL300006326204	1	47	-2.0	-97.39	374.55	7.32	-90.07
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CCOC1=CC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC(Cl)=C1[O-]	REAL300006343093	1	45	-2.0	-100.87	395.10	8.52	-92.35
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CO1	REAL300006343126	1	42	-2.0	-103.37	379.96	2.75	-100.62
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COCC1=NC=C(C(=O)NCC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006343605	1	43	-2.0	-101.56	368.83	4.16	-97.40
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CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300006347011	0	44	-2.0	-99.09	366.85	4.62	-94.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006347323	0	44	-2.0	-100.10	366.91	4.84	-95.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300006347373	1	46	-2.0	-108.05	388.75	9.74	-98.31
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300006347825	1	47	-2.0	-91.60	392.81	3.02	-88.58
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300006347826	1	38	-2.0	-91.56	337.89	0.64	-90.92
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300006348057	0	48	-2.0	-104.38	401.03	2.83	-101.55
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006348103	0	41	-2.0	-98.45	344.92	3.93	-94.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CS1	REAL300006348477	1	45	-2.0	-98.29	379.63	5.04	-93.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006348712	0	41	-2.0	-92.84	351.32	4.00	-88.84
CC1=C(CC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006348717	1	47	-2.0	-102.64	389.03	5.17	-97.47
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006348721	0	47	-2.0	-100.51	388.40	5.63	-94.88
CC1=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006348792	1	47	-2.0	-97.90	369.66	5.44	-92.46
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300006349542	0	47	-2.0	-103.18	390.81	6.18	-97.00
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006349737	1	37	-2.0	-98.89	321.05	7.39	-91.50
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300006349836	0	40	-2.0	-94.94	345.96	2.96	-91.98
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006349867	1	39	-2.0	-96.53	323.51	4.43	-92.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300006349921	0	50	-2.0	-112.07	405.50	7.99	-104.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300006349922	0	50	-2.0	-111.11	406.03	8.01	-103.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300006349998	0	44	-2.0	-107.02	368.14	7.08	-99.94
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006350003	0	41	-2.0	-110.14	351.70	6.14	-104.00
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006350027	1	39	-2.0	-110.69	325.40	7.02	-103.67
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006350047	0	41	-2.0	-85.08	367.19	4.25	-80.83
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006350096	0	33	-2.0	-88.47	306.43	3.97	-84.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300006350159	0	44	-2.0	-114.81	370.05	6.73	-108.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300006350160	0	47	-2.0	-113.24	386.49	7.82	-105.42
CC1=C(CC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006350220	1	47	-2.0	-101.07	389.22	5.16	-95.91
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006350263	0	34	-2.0	-88.66	306.73	5.42	-83.24
COC1=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006350271	1	37	-2.0	-91.06	312.92	0.48	-90.58
CCOC1=CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006350378	1	41	-2.0	-92.98	351.58	6.40	-86.58
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006350382	0	44	-2.0	-116.17	375.74	7.53	-108.64
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300006350390	0	45	-2.0	-111.15	375.31	5.39	-105.76
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CO1	REAL300006350410	1	38	-2.0	-93.38	336.49	0.59	-92.79
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006350541	0	37	-2.0	-85.44	320.81	3.51	-81.93
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006350541	1	37	-2.0	-85.42	320.88	3.52	-81.90
COCC1=NC=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300006350813	1	39	-2.0	-96.16	326.09	2.03	-94.13
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006350852	1	42	-2.0	-97.14	340.00	4.93	-92.21
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006351113	0	34	-2.0	-95.41	315.13	7.43	-87.98
CC1=C(C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006351374	0	42	-2.0	-101.55	349.97	4.51	-97.04
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006353970	1	38	-2.0	-110.58	337.26	6.58	-104.00
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCC1=N[N-]N=N1	REAL300006354021	0	38	-2.0	-108.50	345.36	4.54	-103.96
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCC1=NN=N[N-]1	REAL300006354021	1	38	-2.0	-108.47	345.42	4.56	-103.91
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CN=CC([O-])=C1	REAL300006354098	1	37	-2.0	-116.50	336.75	4.60	-111.90
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006354172	1	43	-2.0	-146.90	374.50	8.86	-138.04
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006354367	0	38	-2.0	-108.19	363.92	7.04	-101.15
COC1=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006354380	1	41	-2.0	-107.42	358.69	2.40	-105.02
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300006354438	0	41	-2.0	-119.36	366.85	5.31	-114.05
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300006354438	1	41	-2.0	-119.38	366.91	5.33	-114.05
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006354461	0	38	-2.0	-108.28	346.82	7.13	-101.15
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006354566	0	41	-2.0	-101.18	377.45	5.11	-96.07
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006354566	1	41	-2.0	-101.27	377.52	5.12	-96.15
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=C[N-]N=CC1=O	REAL300006354713	0	36	-2.0	-111.28	328.96	5.02	-106.26
COCC1=NC=C(C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C(=O)[N-]1	REAL300006354729	1	43	-2.0	-125.77	376.12	4.83	-120.94
COC1=CC=C2NC=C(CC(NC(=O)C3=CC=C([O-])C(F)=C3)C(=O)[O-])C2=C1	REAL300006356395	1	42	-2.0	-109.27	365.19	5.85	-103.42
COC1=CC=C2NC=C(CC(NC(=O)CCC3=N[N-]N=N3)C(=O)[O-])C2=C1	REAL300006356437	0	42	-2.0	-107.86	369.17	3.78	-104.08
COC1=CC=C2NC=C(CC(NC(=O)CCC3=NN=N[N-]3)C(=O)[O-])C2=C1	REAL300006356437	1	42	-2.0	-107.81	369.23	3.80	-104.01
COC1=CC=C2NC=C(CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C(=O)[O-])C2=C1	REAL300006356492	1	47	-2.0	-128.46	398.50	6.44	-122.02
COC1=CC=C2NC=C(CC(NC(=O)C3=CN=CC([O-])=C3)C(=O)[O-])C2=C1	REAL300006356504	1	41	-2.0	-115.95	360.56	3.84	-112.11
COC1=CC=C2NC=C(CC(NC(=O)CCCC3=N[N-]N=N3)C(=O)[O-])C2=C1	REAL300006356771	0	45	-2.0	-118.40	390.43	4.62	-113.78
COC1=CC=C2NC=C(CC(NC(=O)CCCC3=NN=N[N-]3)C(=O)[O-])C2=C1	REAL300006356771	1	45	-2.0	-118.41	390.48	4.63	-113.78
COC1=CC=C2NC=C(CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)C(=O)[O-])C2=C1	REAL300006356789	0	42	-2.0	-106.57	374.98	6.34	-100.23
COC1=CC=C2NC=C(CC(NC(=O)C3=C[N-]N=CC3=O)C(=O)[O-])C2=C1	REAL300006356989	0	40	-2.0	-113.36	342.86	4.31	-109.05
CCC(C(=O)[O-])N(CC)C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300006358262	1	53	-2.0	-100.51	406.09	7.75	-92.76
CCC(C(=O)[O-])N(CC)C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300006358773	1	45	-2.0	-120.76	367.77	10.67	-110.09
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006358914	1	47	-2.0	-101.47	387.26	7.50	-93.97
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006358915	1	47	-2.0	-109.17	383.71	7.43	-101.74
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300006358925	0	43	-2.0	-85.85	366.86	5.68	-80.17
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006359104	0	44	-2.0	-101.10	377.54	6.69	-94.41
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006359121	1	46	-2.0	-92.90	370.13	4.45	-88.45
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300006359122	1	37	-2.0	-92.67	316.11	1.89	-90.78
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006359343	0	44	-2.0	-103.03	380.60	6.51	-96.52
CCC(C(=O)[O-])N(CC)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006359589	1	44	-2.0	-121.49	363.06	6.95	-114.54
CCC(C(=O)[O-])N(CC)C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006359758	1	46	-2.0	-110.20	371.74	6.35	-103.85
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006359878	1	47	-2.0	-96.17	384.48	7.35	-88.82
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006360398	1	36	-2.0	-117.05	303.09	6.69	-110.36
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006360465	0	39	-2.0	-98.07	323.46	3.41	-94.66
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006360510	1	46	-2.0	-92.43	379.36	5.58	-86.85
CCC(C(=O)[O-])N(CC)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006360524	0	49	-2.0	-123.44	385.03	9.38	-114.06
CCC(C(=O)[O-])N(CC)C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006360569	0	43	-2.0	-121.25	351.38	8.33	-112.92
CCC(C(=O)[O-])N(CC)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006360587	1	38	-2.0	-126.12	303.32	9.16	-116.96
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006360603	0	40	-2.0	-86.71	348.13	5.04	-81.67
CCC(C(=O)[O-])N(CC)C(=O)C1=CN=C(I)C([O-])=C1	REAL300006360634	0	32	-2.0	-92.51	287.20	4.64	-87.87
CCC(C(=O)[O-])N(CC)C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006360665	0	43	-2.0	-129.35	348.75	8.21	-121.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)C(CC)C(=O)[O-])=N1	REAL300006360666	0	46	-2.0	-126.68	363.79	9.14	-117.54
CCC(C(=O)[O-])N(CC)C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006360693	1	46	-2.0	-107.43	371.13	6.30	-101.13
CCC(C(=O)[O-])N(CC)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006360719	0	33	-2.0	-93.00	281.52	5.89	-87.11
CCOC1=CC(C(=O)N(CC)C(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006360777	1	40	-2.0	-98.28	326.95	7.00	-91.28
CCC(C(=O)[O-])N(CC)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006360780	0	43	-2.0	-126.07	360.47	8.35	-117.72
CCC(C(=O)[O-])N(CC)C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006360784	0	44	-2.0	-123.30	354.90	6.86	-116.44
CCC(C(=O)[O-])N(CC)C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300006360794	1	37	-2.0	-97.42	312.58	1.41	-96.01
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006360887	0	36	-2.0	-87.17	298.87	5.68	-81.49
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006360887	1	36	-2.0	-87.12	298.94	5.68	-81.44
CCC(C(=O)[O-])N(CC)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006361083	1	41	-2.0	-103.89	327.31	5.38	-98.51
CCC(C(=O)[O-])N(CC)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006361236	0	33	-2.0	-100.70	303.71	6.78	-93.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](CC3=CC=CC=C3)[C@H](C(=O)[O-])C2)O1	REAL300006363923	1	45	-2.0	-101.37	391.83	4.50	-96.87
CC1=C(C(=O)N2C[C@@H](CC3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006364546	1	54	-2.0	-136.21	437.16	8.91	-127.30
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1CC1=CC=CC=C1	REAL300006365446	1	41	-2.0	-103.44	346.60	8.35	-95.09
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1CC1=CC=CC=C1	REAL300006365460	1	44	-2.0	-105.00	380.99	10.19	-94.81
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CC1=CC=CC=C1	REAL300006365521	0	41	-2.0	-92.07	348.66	6.85	-85.22
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300006365521	1	41	-2.0	-92.07	348.71	6.87	-85.20
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1CC1=CC=CC=C1	REAL300006365615	1	46	-2.0	-113.34	390.39	7.94	-105.40
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1CC1=CC=CC=C1	REAL300006365642	1	40	-2.0	-110.27	335.41	6.36	-103.91
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1CC1=CC=CC=C1	REAL300006365783	1	46	-2.0	-118.59	379.38	11.29	-107.30
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1CC1=CC=CC=C1	REAL300006366057	0	41	-2.0	-101.52	362.43	8.86	-92.66
COC1=C(C(=O)N2C[C@@H](CC3=CC=CC=C3)[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006366076	1	44	-2.0	-99.54	368.14	4.52	-95.02
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1CC1=CC=CC=C1	REAL300006366167	0	44	-2.0	-92.21	370.15	7.63	-84.58
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300006366167	1	44	-2.0	-92.20	370.21	7.65	-84.55
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1CC1=CC=CC=C1	REAL300006366199	0	41	-2.0	-99.94	356.40	8.84	-91.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](CC3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CO1	REAL300006366229	1	45	-2.0	-91.07	389.33	4.14	-86.93
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300006366370	0	44	-2.0	-90.07	375.12	7.76	-82.31
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300006366370	1	44	-2.0	-90.02	375.19	7.76	-82.26
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1CC1=CC=CC=C1	REAL300006366615	0	39	-2.0	-109.01	338.56	7.00	-102.01
COCC1=NC=C(C(=O)N2C[C@@H](CC3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300006366647	1	46	-2.0	-111.24	392.49	5.53	-105.71
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1CC1=CC=CC=C1	REAL300006366688	1	49	-2.0	-123.51	406.34	8.55	-114.96
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1CC1=CC=CC=C1	REAL300006366962	0	41	-2.0	-101.96	374.93	10.23	-91.73
COC1(C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C(=O)[O-])CCC1	REAL300006368529	1	47	-2.0	-125.58	394.37	7.96	-117.62
COC1(C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(=O)[O-])CCC1	REAL300006368886	1	48	-2.0	-101.05	400.66	2.08	-98.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2(OC)CCC2)O1	REAL300006368887	1	39	-2.0	-100.03	345.21	-0.32	-100.35
COC1(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])CCC1	REAL300006369374	1	46	-2.0	-109.60	385.17	3.28	-106.32
COC1(C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C(=O)[O-])CCC1	REAL300006369570	1	48	-2.0	-115.43	396.68	3.51	-111.92
COC1(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])CCC1	REAL300006370447	1	38	-2.0	-123.08	328.42	5.78	-117.30
COC1(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])CCC1	REAL300006370533	0	41	-2.0	-109.11	353.33	1.36	-107.75
COC1(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])CCC1	REAL300006370555	1	40	-2.0	-114.43	328.41	2.87	-111.56
COC1(C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C(=O)[O-])CCC1	REAL300006370607	0	51	-2.0	-139.00	413.15	6.40	-132.60
COC1(C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C(=O)[O-])CCC1	REAL300006370608	0	51	-2.0	-132.62	410.56	6.48	-126.14
COC1(C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])CCC1	REAL300006370670	0	45	-2.0	-133.75	380.37	5.51	-128.24
COC1(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])CCC1	REAL300006370675	0	42	-2.0	-134.32	359.30	4.55	-129.77
COC1(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])CCC1	REAL300006370700	1	40	-2.0	-139.68	332.47	5.41	-134.27
COC1(C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])CCC1	REAL300006370830	0	45	-2.0	-142.02	377.91	5.78	-136.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300006370831	0	48	-2.0	-139.69	386.78	6.26	-133.43
COC1(C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C(=O)[O-])CCC1	REAL300006370881	1	48	-2.0	-131.56	396.59	3.57	-127.99
COC1(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])CCC1	REAL300006370926	0	35	-2.0	-101.89	314.10	3.81	-98.08
COC1=C(C(=O)NC(C(=O)[O-])C2(OC)CCC2)NC(=O)[N-]C1=O	REAL300006370933	1	38	-2.0	-102.46	319.36	-1.15	-103.61
COC1(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])CCC1	REAL300006371027	0	35	-2.0	-98.54	305.60	3.82	-94.72
CCOC1=CC(C(=O)NC(C(=O)[O-])C2(OC)CCC2)=CC(Cl)=C1[O-]	REAL300006371030	1	42	-2.0	-107.07	358.94	4.78	-102.29
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3(OC)CCC3)=N2)C=C1	REAL300006371038	0	46	-2.0	-132.19	379.85	3.86	-128.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2(OC)CCC2)=CO1	REAL300006371052	1	39	-2.0	-107.67	344.35	-0.34	-108.01
COC1(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])CCC1	REAL300006371179	0	38	-2.0	-95.72	327.87	1.91	-93.81
COC1(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])CCC1	REAL300006371179	1	38	-2.0	-95.70	327.94	1.91	-93.79
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2(OC)CCC2)C(=O)[N-]1	REAL300006371421	1	40	-2.0	-116.11	332.81	0.43	-115.68
COC1(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])CCC1	REAL300006371458	1	43	-2.0	-117.54	347.42	3.28	-114.26
COC1(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])CCC1	REAL300006371689	0	35	-2.0	-119.41	322.42	6.49	-112.92
CCC(C)C1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300006372814	1	41	-2.0	-92.79	355.55	8.10	-84.69
CCC(C)C1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300006372817	1	43	-2.0	-91.59	388.20	3.01	-88.58
CCC(C)C1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300006372822	1	41	-2.0	-116.06	346.95	7.84	-108.22
CCC(C)C1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300006372824	1	38	-2.0	-104.29	334.16	7.28	-97.01
CCC(C)C1=CSC([N-]C(=O)C2CCCC(C(=O)[O-])C2)=N1	REAL300006372825	1	41	-2.0	-105.08	329.56	6.67	-98.41
CCC(C)C1=CSC([N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300006372830	1	41	-2.0	-92.82	335.28	6.83	-85.99
CCC(C)C1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300006372831	1	41	-2.0	-93.42	336.60	6.85	-86.57
CCC(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300006372832	1	38	-2.0	-96.90	334.15	7.29	-89.61
CCC(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300006372833	1	34	-2.0	-99.99	311.30	3.29	-96.70
CCC(C)C1=CSC([N-]C(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300006372842	1	44	-2.0	-100.22	345.94	7.31	-92.91
CCC(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300006372843	1	42	-2.0	-97.41	343.30	6.99	-90.42
CCC(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300006372844	1	45	-2.0	-92.47	355.04	7.50	-84.97
CCC(C)C1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300006372847	1	48	-2.0	-105.98	388.38	9.51	-96.47
CCC(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300006372850	1	35	-2.0	-98.72	316.21	4.77	-93.95
CCC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006372852	1	42	-2.0	-118.44	341.32	7.33	-111.11
CCC(C)C1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300006372854	1	44	-2.0	-107.24	377.77	7.20	-100.04
CCC(C)C1=CSC([N-]C(=O)CCSCC(=O)[O-])=N1	REAL300006372855	1	35	-2.0	-90.94	319.32	5.80	-85.14
CCC(C)C1=CSC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300006372858	1	39	-2.0	-104.14	331.73	6.03	-98.11
CCC(C)C1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300006372863	1	38	-2.0	-111.58	342.27	2.26	-109.32
CCC(C)C1=CSC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300006372868	1	35	-2.0	-112.44	315.56	4.79	-107.65
CCC(C)C1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300006372869	1	41	-2.0	-110.53	359.17	6.15	-104.38
CCC(C)C1=CSC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300006372870	1	42	-2.0	-102.05	353.32	6.48	-95.57
CCC(C)C1=CSC([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300006372871	1	42	-2.0	-94.86	352.20	5.42	-89.44
CCC(C)C1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300006372873	1	43	-2.0	-127.98	334.00	7.88	-120.10
CCC(C)C1=CSC([N-]C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300006372874	1	41	-2.0	-116.66	323.87	7.25	-109.41
CCC(C)C1=CSC([N-]C(=O)CN2CCCC(C(=O)[O-])C2)=N1	REAL300006372875	1	43	-2.0	-93.17	349.37	4.67	-88.50
CCC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300006372876	1	42	-2.0	-117.23	352.90	8.69	-108.54
CCC(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300006372878	1	42	-2.0	-106.86	367.50	8.75	-98.11
CCC(C)C1=CSC([N-]C(=O)C2CC3(CC3C(=O)[O-])C2)=N1	REAL300006372879	1	39	-2.0	-100.43	329.86	6.93	-93.50
CCC(C)C1=CSC([N-]C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)=N1	REAL300006372880	1	41	-2.0	-123.20	342.83	7.58	-115.62
CCC(C)C1=CSC([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300006372886	1	42	-2.0	-93.06	350.44	7.48	-85.58
CCC(C)C1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300006372891	1	39	-2.0	-93.62	343.56	7.13	-86.49
CCC(C)C1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300006372898	1	40	-2.0	-117.40	343.09	6.07	-111.33
CCC(C)C1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300006372899	1	37	-2.0	-95.64	319.83	4.15	-91.49
CCC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006372901	1	42	-2.0	-118.44	341.32	7.33	-111.11
CCC(C)C1=CSC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300006372909	1	40	-2.0	-130.17	329.50	4.96	-125.21
CCC(C)C1=CSC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300006372911	1	41	-2.0	-125.94	340.15	6.66	-119.28
CCC(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300006372912	1	41	-2.0	-97.67	350.85	7.76	-89.91
CCC(C)C1=CSC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300006372913	1	35	-2.0	-100.43	325.70	6.43	-94.00
CCC(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300006372914	1	38	-2.0	-97.71	338.70	7.32	-90.39
CCC(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300006372916	1	45	-2.0	-92.47	355.04	7.50	-84.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=C1	REAL300006373553	0	43	-2.0	-95.42	370.91	2.53	-92.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006373863	0	43	-2.0	-96.26	370.99	2.75	-93.51
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=C1	REAL300006373911	1	45	-2.0	-101.12	393.35	7.68	-93.44
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)O1	REAL300006374352	1	46	-2.0	-90.30	396.73	1.00	-89.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)O1	REAL300006374353	1	37	-2.0	-89.72	341.97	-1.44	-91.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006374625	0	40	-2.0	-95.00	349.53	1.85	-93.15
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)=CS1	REAL300006374983	1	44	-2.0	-95.51	383.73	2.96	-92.55
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006375223	0	40	-2.0	-89.80	355.93	1.92	-87.88
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006375226	1	46	-2.0	-101.10	394.56	3.16	-97.94
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)CO2	REAL300006375229	0	46	-2.0	-96.77	392.49	3.54	-93.23
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006375310	1	46	-2.0	-94.39	373.70	3.38	-91.01
O=C([O-])C12CC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)OC2	REAL300006376351	1	36	-2.0	-94.71	325.66	5.34	-89.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C=N1	REAL300006376458	0	39	-2.0	-92.90	350.57	0.90	-92.00
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)OC2	REAL300006376491	1	38	-2.0	-93.15	328.13	2.35	-90.80
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=N2)=C1	REAL300006376550	0	49	-2.0	-107.95	410.17	5.93	-102.02
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=N2)C=C1	REAL300006376551	0	49	-2.0	-106.60	410.10	5.93	-100.67
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=N1	REAL300006376641	0	43	-2.0	-102.75	372.23	5.01	-97.74
O=C([O-])C12CC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(C1)OC2	REAL300006376646	0	40	-2.0	-104.25	356.32	4.08	-100.17
O=C([O-])C12CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)OC2	REAL300006376677	1	38	-2.0	-105.45	329.47	4.96	-100.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=N2)=C1	REAL300006376832	0	43	-2.0	-110.82	374.74	4.69	-106.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=N1	REAL300006376833	0	46	-2.0	-108.70	391.17	5.75	-102.95
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006376903	1	46	-2.0	-99.78	393.83	3.12	-96.66
O=C([O-])C12CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)OC2	REAL300006376954	0	33	-2.0	-86.62	311.34	3.34	-83.28
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)NC(=O)[N-]C1=O	REAL300006376966	1	36	-2.0	-89.76	317.30	-1.58	-91.34
O=C([O-])C12CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(C1)OC2	REAL300006377094	0	33	-2.0	-86.88	305.22	3.31	-83.57
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=CC(Cl)=C1[O-]	REAL300006377097	1	40	-2.0	-90.78	356.18	4.32	-86.46
COC1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)CO4)=N2)C=C1	REAL300006377109	0	44	-2.0	-106.01	379.39	3.32	-102.69
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)=CO1	REAL300006377132	1	37	-2.0	-91.22	341.19	-1.45	-92.67
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC2	REAL300006377288	0	36	-2.0	-83.49	324.87	1.44	-82.05
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC2	REAL300006377288	1	36	-2.0	-83.44	324.94	1.45	-81.99
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(=O)[N-]1	REAL300006377609	1	38	-2.0	-91.93	330.23	-0.06	-91.99
O=C([O-])C12CC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)OC2	REAL300006377653	1	41	-2.0	-92.77	344.14	2.84	-89.93
O=C([O-])C12CC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)OC2	REAL300006377952	0	33	-2.0	-91.43	319.73	5.37	-86.06
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)CO3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006378255	0	41	-2.0	-97.56	353.93	2.47	-95.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)O1	REAL300006379708	1	41	-2.0	-96.32	358.40	2.52	-93.80
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CCC(C(F)F)CC1	REAL300006381119	1	37	-2.0	-104.54	304.94	5.99	-98.55
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC(C(F)F)CC1	REAL300006381131	1	40	-2.0	-125.25	341.31	8.77	-116.48
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300006381172	0	37	-2.0	-101.04	308.44	4.73	-96.31
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300006381172	1	37	-2.0	-101.06	308.50	4.75	-96.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=N1	REAL300006381235	0	43	-2.0	-105.30	367.00	4.84	-100.46
O=C([O-])C1(NC(=O)C2=CN=CC([O-])=C2)CCC(C(F)F)CC1	REAL300006381289	1	36	-2.0	-113.86	293.46	4.09	-109.77
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC(C(F)F)CC1	REAL300006381371	0	44	-2.0	-136.27	365.92	7.31	-128.96
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC(C(F)F)CC1	REAL300006381403	1	42	-2.0	-134.01	339.57	7.74	-126.27
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC(C(F)F)CC1	REAL300006381640	0	37	-2.0	-101.67	326.96	7.26	-94.41
COC1=C(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)NC(=O)[N-]C1=O	REAL300006381653	1	40	-2.0	-102.46	332.93	1.85	-100.61
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300006381729	0	40	-2.0	-111.31	330.72	5.55	-105.76
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300006381729	1	40	-2.0	-111.30	330.78	5.57	-105.73
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCC(C(F)F)CC1	REAL300006381760	0	37	-2.0	-102.47	314.75	6.50	-95.97
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=CC(Cl)=C1[O-]	REAL300006381764	1	44	-2.0	-107.10	371.83	8.23	-98.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=CO1	REAL300006381785	1	41	-2.0	-108.44	357.55	2.49	-105.95
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC(C(F)F)CC1	REAL300006381921	0	40	-2.0	-92.36	341.31	5.38	-86.98
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC(C(F)F)CC1	REAL300006381921	1	40	-2.0	-92.34	341.37	5.38	-86.96
O=C([O-])C1(NC(=O)C2=C[N-]N=CC2=O)CCC(C(F)F)CC1	REAL300006382142	0	35	-2.0	-100.19	292.83	5.28	-94.91
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C(=O)[N-]1	REAL300006382165	1	42	-2.0	-114.69	345.82	3.89	-110.80
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC(C(F)F)CC1	REAL300006382436	0	37	-2.0	-119.97	336.17	8.84	-111.13
O=C([O-])C1(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CCC2=CC=CC=C2C1	REAL300006383260	0	42	-2.0	-128.24	347.70	9.17	-119.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)O1	REAL300006383900	1	42	-2.0	-100.15	363.92	3.61	-96.54
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CCC2=CC=CC=C2C1	REAL300006385301	1	38	-2.0	-107.31	317.26	7.85	-99.46
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC2=CC=CC=C2C1	REAL300006385313	1	41	-2.0	-132.25	347.61	9.91	-122.34
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL300006385353	0	38	-2.0	-104.07	314.74	5.87	-98.20
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL300006385353	1	38	-2.0	-104.04	314.80	5.88	-98.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=N1	REAL300006385416	0	44	-2.0	-110.15	372.50	5.95	-104.20
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC2=CC=CC=C2C1	REAL300006385438	1	43	-2.0	-117.31	350.35	7.40	-109.91
O=C([O-])C1(NC(=O)C2=CN=CC([O-])=C2)CCC2=CC=CC=C2C1	REAL300006385471	1	37	-2.0	-114.71	306.10	5.97	-108.74
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC2=CC=CC=C2C1	REAL300006385555	0	45	-2.0	-142.21	378.31	9.15	-133.06
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC2=CC=CC=C2C1	REAL300006385586	1	43	-2.0	-146.83	351.49	9.54	-137.29
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC2=CC=CC=C2C1	REAL300006385820	0	38	-2.0	-105.45	333.29	8.40	-97.05
COC1=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)NC(=O)[N-]C1=O	REAL300006385832	1	41	-2.0	-104.70	339.25	3.00	-101.70
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL300006385909	0	41	-2.0	-114.44	336.28	6.66	-107.78
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL300006385909	1	41	-2.0	-114.48	336.34	6.67	-107.81
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCC2=CC=CC=C2C1	REAL300006385940	0	38	-2.0	-107.86	327.06	8.33	-99.53
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=CC(Cl)=C1[O-]	REAL300006385944	1	45	-2.0	-110.00	378.13	9.37	-100.63
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=CO1	REAL300006385965	1	42	-2.0	-112.12	363.09	3.60	-108.52
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2=CC=CC=C2C1	REAL300006386102	0	41	-2.0	-96.21	346.88	6.46	-89.75
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2=CC=CC=C2C1	REAL300006386102	1	41	-2.0	-96.23	346.95	6.47	-89.76
O=C([O-])C1(NC(=O)C2=C[N-]N=CC2=O)CCC2=CC=CC=C2C1	REAL300006386325	0	36	-2.0	-107.31	298.38	6.37	-100.94
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C(=O)[N-]1	REAL300006386348	1	43	-2.0	-115.80	352.26	4.91	-110.89
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC2=CC=CC=C2C1	REAL300006386390	1	46	-2.0	-117.29	366.10	7.93	-109.36
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC2=CC=CC=C2C1	REAL300006386620	0	38	-2.0	-127.08	341.69	9.95	-117.13
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006387766	0	51	-2.0	-107.08	401.79	6.64	-100.44
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)CC1	REAL300006388010	0	51	-2.0	-109.80	405.60	6.85	-102.95
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)CC1	REAL300006388398	1	45	-2.0	-92.23	370.01	3.11	-89.12
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006388621	0	48	-2.0	-107.85	383.38	5.95	-101.90
C=CCCC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CC1	REAL300006388936	1	52	-2.0	-102.00	417.63	7.59	-94.41
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006389135	0	48	-2.0	-99.65	386.79	6.04	-93.61
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CC1	REAL300006389220	1	54	-2.0	-113.50	414.76	7.28	-106.22
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300006390228	1	41	-2.0	-96.62	325.72	7.02	-89.60
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006390241	1	44	-2.0	-107.24	356.50	9.21	-98.03
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300006390282	0	41	-2.0	-91.01	324.47	5.46	-85.55
C=CCCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300006390282	1	41	-2.0	-90.96	324.53	5.47	-85.49
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300006390369	0	47	-2.0	-96.98	380.93	5.00	-91.98
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006390404	1	46	-2.0	-96.00	360.82	6.42	-89.58
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300006390445	1	40	-2.0	-98.53	316.16	5.08	-93.45
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006390599	1	46	-2.0	-115.35	358.19	9.98	-105.37
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])CC1	REAL300006390759	0	54	-2.0	-112.68	424.36	10.03	-102.65
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006390891	0	41	-2.0	-91.71	341.72	7.56	-84.15
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300006391003	0	44	-2.0	-97.34	345.96	6.25	-91.09
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300006391003	1	44	-2.0	-97.37	346.02	6.26	-91.11
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006391040	0	41	-2.0	-93.17	335.51	7.50	-85.67
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)CC1	REAL300006391043	1	48	-2.0	-96.08	386.57	8.53	-87.55
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])CC1	REAL300006391051	0	52	-2.0	-113.99	407.98	8.11	-105.88
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)CC1	REAL300006391075	1	45	-2.0	-93.66	370.57	2.83	-90.83
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006391239	0	44	-2.0	-87.23	353.66	6.49	-80.74
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006391239	1	44	-2.0	-87.26	353.73	6.50	-80.76
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300006391529	0	39	-2.0	-87.22	307.94	5.49	-81.73
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(COC)[N-]C2=O)CC1	REAL300006391562	1	46	-2.0	-95.15	362.91	4.01	-91.14
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006391612	1	49	-2.0	-98.96	382.47	7.03	-91.93
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006391921	0	41	-2.0	-101.28	349.77	9.21	-92.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300006393663	1	47	-2.0	-101.47	408.58	3.71	-97.76
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CC(C)(C)C1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300006395354	0	43	-2.0	-101.37	378.19	8.45	-92.92
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CC(C)(C)C1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006395437	0	46	-2.0	-108.24	380.94	6.79	-101.45
CC(C)(C)C1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006395437	1	46	-2.0	-108.25	381.00	6.81	-101.44
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C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CO1	REAL300006395485	1	47	-2.0	-105.65	408.00	3.63	-102.02
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300006395602	0	46	-2.0	-95.11	391.77	6.50	-88.61
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300006395602	1	46	-2.0	-95.13	391.84	6.52	-88.61
CC(C)(C)C1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300006395792	0	41	-2.0	-107.56	342.64	6.47	-101.09
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(=O)[N-]1	REAL300006395814	1	48	-2.0	-118.07	396.97	5.10	-112.97
CC(C)(C)C1=CC=C(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300006395850	1	51	-2.0	-119.59	411.06	7.92	-111.67
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)O1	REAL300006397460	1	44	-2.0	-101.22	392.60	3.32	-97.90
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CC(C)C1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006398924	0	40	-2.0	-100.26	343.46	5.62	-94.64
CC(C)C1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006398924	1	40	-2.0	-100.24	343.52	5.63	-94.61
CC(C)C1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300006398987	0	46	-2.0	-108.36	400.84	5.65	-102.71
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CC(C)C1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300006399041	1	39	-2.0	-107.89	334.45	5.65	-102.24
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CC(C)C1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006399481	1	43	-2.0	-108.04	364.61	6.39	-101.65
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CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC(Cl)=C1[O-]	REAL300006399516	1	47	-2.0	-106.61	407.07	9.02	-97.59
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CO1	REAL300006399537	1	44	-2.0	-105.56	392.02	3.23	-102.33
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300006399673	0	43	-2.0	-94.97	375.79	6.11	-88.86
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300006399673	1	43	-2.0	-94.96	375.86	6.13	-88.83
CC(C)C1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300006399894	0	38	-2.0	-107.51	327.04	6.11	-101.40
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CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)=C1	REAL300006401571	1	42	-2.0	-96.49	371.26	4.75	-91.74
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)O1	REAL300006402271	1	36	-2.0	-86.45	342.30	0.76	-85.69
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CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)=CS1	REAL300006402855	1	43	-2.0	-98.41	384.06	5.18	-93.23
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CCOC1=CC(C(=O)NC2=CC=C3NC(C(=O)[O-])=CC3=C2)=CC(Cl)=C1[O-]	REAL300006405037	1	39	-2.0	-90.03	356.57	6.53	-83.50
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1	REAL300006423539	1	41	-2.0	-97.88	353.09	3.80	-94.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1	REAL300006423540	1	32	-2.0	-97.03	299.48	1.27	-95.76
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CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CS1	REAL300006424021	1	39	-2.0	-116.36	346.35	5.13	-111.23
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300006424944	0	34	-2.0	-106.07	307.90	2.83	-103.24
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300006425004	0	44	-2.0	-136.30	367.63	8.89	-127.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300006425005	0	44	-2.0	-135.01	367.59	8.88	-126.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300006425051	0	38	-2.0	-131.00	323.82	7.70	-123.30
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300006425156	0	38	-2.0	-139.90	332.15	7.61	-132.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300006425157	0	41	-2.0	-138.54	346.29	8.55	-129.99
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006425212	0	28	-2.0	-98.85	269.61	5.03	-93.82
COC1=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006425215	1	31	-2.0	-101.21	276.26	0.59	-100.62
CCOC1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006425275	1	35	-2.0	-104.12	313.56	6.32	-97.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006425278	0	38	-2.0	-134.44	341.90	7.94	-126.50
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300006425283	0	39	-2.0	-134.70	336.88	6.26	-128.44
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CO1	REAL300006425293	1	32	-2.0	-105.11	299.00	0.38	-104.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006425387	0	31	-2.0	-92.22	282.01	4.57	-87.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006425387	1	31	-2.0	-92.23	282.07	4.57	-87.66
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006425766	0	28	-2.0	-114.00	278.79	7.04	-106.96
CC1=C(CCC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006428276	1	50	-2.0	-126.76	397.59	7.83	-118.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300006428826	1	42	-2.0	-126.32	359.79	10.68	-115.64
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006428969	1	44	-2.0	-119.14	375.46	7.36	-111.78
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006428970	1	44	-2.0	-123.09	376.32	7.43	-115.66
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])O1	REAL300006429186	1	43	-2.0	-121.36	361.39	4.57	-116.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])O1	REAL300006429187	1	34	-2.0	-117.46	307.79	1.80	-115.66
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C3C=CC(C3)C2C(=O)[O-])=CS1	REAL300006429683	1	41	-2.0	-107.93	350.17	6.00	-101.93
CC1=C(CC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006429874	1	43	-2.0	-127.18	360.12	6.16	-121.02
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006430006	1	44	-2.0	-107.50	376.50	7.48	-100.02
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006430600	1	33	-2.0	-120.14	293.71	7.42	-112.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C=N1	REAL300006430677	0	36	-2.0	-116.12	317.28	3.51	-112.61
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006430695	1	35	-2.0	-131.39	299.74	4.72	-126.67
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006430729	1	43	-2.0	-101.88	369.83	5.59	-96.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)=C1	REAL300006430744	0	46	-2.0	-138.29	371.48	9.30	-128.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)C=C1	REAL300006430745	0	46	-2.0	-138.78	373.52	9.25	-129.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300006430796	0	40	-2.0	-131.89	340.63	7.98	-123.91
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006430800	0	37	-2.0	-128.40	316.74	7.43	-120.97
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006430817	1	35	-2.0	-131.14	293.76	8.90	-122.24
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006430834	0	37	-2.0	-102.15	337.87	4.86	-97.29
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006430873	0	29	-2.0	-109.74	276.27	4.64	-105.10
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)=C1	REAL300006430918	0	40	-2.0	-138.79	335.12	8.01	-130.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300006430919	0	43	-2.0	-143.65	353.99	8.68	-134.97
CC1=C(CC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006430958	1	43	-2.0	-110.78	361.69	6.26	-104.52
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006430987	0	30	-2.0	-107.86	276.33	5.93	-101.93
COC1=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006430992	1	33	-2.0	-110.88	288.98	0.47	-110.41
CCOC1=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006431065	1	37	-2.0	-114.26	321.19	6.90	-107.36
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006431068	0	40	-2.0	-152.17	350.15	8.27	-143.90
COC1=CC=C(N2C=C([O-])C(C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)C=C1	REAL300006431073	0	41	-2.0	-133.34	340.92	6.59	-126.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2C3C=CC(C3)C2C(=O)[O-])=CO1	REAL300006431084	1	34	-2.0	-101.14	301.99	1.32	-99.82
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006431184	0	33	-2.0	-99.84	289.23	5.34	-94.50
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006431184	1	33	-2.0	-99.80	289.30	5.36	-94.44
COCC1=NC=C(C(=O)N2C3C=CC(C3)C2C(=O)[O-])C(=O)[N-]1	REAL300006431384	1	35	-2.0	-126.68	303.01	2.50	-124.18
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006431413	1	38	-2.0	-131.69	315.60	5.27	-126.42
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006431599	0	30	-2.0	-118.00	287.29	7.33	-110.67
CC1=C(CCC(=O)N2CCC(C)(C)C2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006432883	1	54	-2.0	-124.06	415.07	8.25	-115.81
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300006433433	1	46	-2.0	-124.72	379.65	11.20	-113.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])O1	REAL300006433794	1	47	-2.0	-102.28	382.62	4.36	-97.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])O1	REAL300006433795	1	38	-2.0	-100.78	327.17	1.95	-98.83
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C)(C)C2C(=O)[O-])=CS1	REAL300006434294	1	45	-2.0	-122.42	370.01	6.48	-115.94
CC1=C(CC(=O)N2CCC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006434486	1	47	-2.0	-127.11	380.01	6.67	-120.44
CC1(C)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300006435260	1	37	-2.0	-117.57	305.14	7.65	-109.92
CC1(C)CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1C(=O)[O-]	REAL300006435336	0	40	-2.0	-110.68	335.22	3.56	-107.12
CC1(C)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1C(=O)[O-]	REAL300006435354	1	39	-2.0	-130.51	306.69	5.38	-125.13
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C)(C)C3C(=O)[O-])=N2)=C1	REAL300006435402	0	50	-2.0	-145.79	395.28	9.59	-136.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C)C3C(=O)[O-])=N2)C=C1	REAL300006435403	0	50	-2.0	-144.77	395.32	9.62	-135.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300006435455	0	44	-2.0	-140.66	362.33	8.84	-131.82
CC1(C)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1C(=O)[O-]	REAL300006435460	0	41	-2.0	-142.59	341.48	7.74	-134.85
CC1(C)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1C(=O)[O-]	REAL300006435478	1	39	-2.0	-147.26	314.27	8.59	-138.67
CC1(C)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1C(=O)[O-]	REAL300006435496	0	41	-2.0	-97.59	356.47	4.90	-92.69
CC1(C)CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1C(=O)[O-]	REAL300006435536	0	33	-2.0	-108.04	298.33	4.42	-103.62
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C)(C)C3C(=O)[O-])=N2)=C1	REAL300006435584	0	44	-2.0	-150.08	359.83	8.33	-141.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300006435585	0	47	-2.0	-148.21	362.25	8.90	-139.31
CC1=C(CC(=O)N2CCC(C)(C)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006435627	1	47	-2.0	-124.93	380.20	6.67	-118.26
CC1(C)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1C(=O)[O-]	REAL300006435662	0	34	-2.0	-105.81	296.04	6.07	-99.74
COC1=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006435668	1	37	-2.0	-106.16	302.11	1.73	-104.43
CCOC1=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006435746	1	41	-2.0	-111.39	340.88	7.05	-104.34
CC1(C)CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1C(=O)[O-]	REAL300006435749	0	44	-2.0	-149.78	367.87	9.09	-140.69
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C)C3C(=O)[O-])=N2)C=C1	REAL300006435754	0	45	-2.0	-144.33	364.61	6.99	-137.34
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C)(C)C2C(=O)[O-])=CO1	REAL300006435765	1	38	-2.0	-113.90	324.20	1.51	-112.39
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300006435871	0	37	-2.0	-97.81	311.70	5.11	-92.70
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300006435871	1	37	-2.0	-97.83	311.76	5.11	-92.72
COCC1=NC=C(C(=O)N2CCC(C)(C)C2C(=O)[O-])C(=O)[N-]1	REAL300006436082	1	39	-2.0	-127.56	308.55	3.03	-124.53
CC1(C)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1C(=O)[O-]	REAL300006436116	1	42	-2.0	-135.46	339.28	5.52	-129.94
CC1(C)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1C(=O)[O-]	REAL300006436311	0	34	-2.0	-131.81	306.17	7.77	-124.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)O1	REAL300006437752	1	45	-2.0	-99.21	356.37	2.99	-96.22
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)=CS1	REAL300006438187	1	52	-2.0	-106.97	400.38	7.35	-99.62
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]1CCCCC2	REAL300006439255	1	41	-2.0	-97.96	305.41	7.08	-90.88
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])[C@H]1CCCCC2	REAL300006439266	1	44	-2.0	-106.31	342.80	8.89	-97.42
O=C([O-])[C@]12CCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CCCCC2	REAL300006439300	0	41	-2.0	-92.92	306.42	5.59	-87.33
O=C([O-])[C@]12CCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CCCCC2	REAL300006439300	1	41	-2.0	-92.91	306.48	5.60	-87.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)C=N1	REAL300006439369	0	47	-2.0	-101.32	360.20	5.12	-96.20
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]1CCCCC2	REAL300006439394	1	46	-2.0	-122.26	351.38	6.25	-116.01
O=C([O-])[C@]12CCN(C(=O)C3=CN=CC([O-])=C3)[C@H]1CCCCC2	REAL300006439429	1	40	-2.0	-91.84	294.18	5.20	-86.64
O=C([O-])[C@]12CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])[C@H]1CCCCC2	REAL300006439512	0	48	-2.0	-118.95	366.88	8.98	-109.97
O=C([O-])[C@]12CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@H]1CCCCC2	REAL300006439543	1	46	-2.0	-128.32	343.33	9.79	-118.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)=N1	REAL300006439680	0	54	-2.0	-133.02	405.06	10.56	-122.46
O=C([O-])[C@]12CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)[C@H]1CCCCC2	REAL300006439790	0	41	-2.0	-103.66	325.36	7.12	-96.54
COC1=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)NC(=O)[N-]C1=O	REAL300006439802	1	44	-2.0	-98.73	330.71	2.82	-95.91
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCCC2	REAL300006439880	0	44	-2.0	-108.93	332.74	5.87	-103.06
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCCC2	REAL300006439880	1	44	-2.0	-108.94	332.80	5.88	-103.06
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]1CCCCC2	REAL300006439912	0	41	-2.0	-94.80	315.20	7.55	-87.25
CCOC1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)=CC(Cl)=C1[O-]	REAL300006439915	1	48	-2.0	-101.27	370.40	8.31	-92.96
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCCC[C@H]34)=N2)C=C1	REAL300006439921	0	52	-2.0	-129.04	393.61	8.15	-120.89
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)=CO1	REAL300006439937	1	45	-2.0	-95.18	347.33	2.73	-92.45
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCCC2	REAL300006440078	0	44	-2.0	-92.14	339.17	6.48	-85.66
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCCC2	REAL300006440078	1	44	-2.0	-92.16	339.24	6.48	-85.68
O=C([O-])[C@]12CCN(C(=O)C3=C[N-]N=CC3=O)[C@H]1CCCCC2	REAL300006440310	0	39	-2.0	-108.41	299.20	5.32	-103.09
COCC1=NC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCCC[C@H]23)C(=O)[N-]1	REAL300006440333	1	46	-2.0	-119.96	353.22	3.90	-116.06
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@H]1CCCCC2	REAL300006440376	1	49	-2.0	-122.52	367.13	6.80	-115.72
O=C([O-])[C@]12CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@H]1CCCCC2	REAL300006440617	0	41	-2.0	-104.14	336.87	8.96	-95.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)O1	REAL300006441974	1	46	-2.0	-89.68	380.95	1.43	-88.25
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C([O-])C(F)=C1)CCOCC2	REAL300006443289	1	42	-2.0	-114.53	328.76	6.46	-108.07
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCOCC2	REAL300006443301	1	45	-2.0	-113.29	362.52	7.57	-105.72
O=C([O-])CC1CC2(CN1C(=O)CCC1=N[N-]N=N1)CCOCC2	REAL300006443340	0	42	-2.0	-93.18	334.20	3.74	-89.44
O=C([O-])CC1CC2(CN1C(=O)CCC1=NN=N[N-]1)CCOCC2	REAL300006443340	1	42	-2.0	-93.20	334.26	3.75	-89.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C=N1	REAL300006443396	0	48	-2.0	-117.13	383.54	4.52	-112.61
O=C([O-])CC1CC2(CN1C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCOCC2	REAL300006443417	1	47	-2.0	-100.21	365.56	4.61	-95.60
O=C([O-])CC1CC2(CN1C(=O)C1=CN=CC([O-])=C1)CCOCC2	REAL300006443443	1	41	-2.0	-99.23	320.51	3.23	-96.00
O=C([O-])CC1CC2(CN1C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCOCC2	REAL300006443547	1	47	-2.0	-126.35	366.84	8.23	-118.12
O=C([O-])CC1CC2(CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCOCC2	REAL300006443777	0	42	-2.0	-92.75	347.80	5.74	-87.01
COC1=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)NC(=O)[N-]C1=O	REAL300006443790	1	45	-2.0	-112.30	351.88	1.76	-110.54
O=C([O-])CC1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCOCC2	REAL300006443861	0	45	-2.0	-104.87	356.18	4.49	-100.38
O=C([O-])CC1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCOCC2	REAL300006443861	1	45	-2.0	-104.83	356.23	4.50	-100.33
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C([O-])C(Cl)=C1)CCOCC2	REAL300006443890	0	42	-2.0	-112.88	338.55	6.96	-105.92
CCOC1=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=CC(Cl)=C1[O-]	REAL300006443893	1	49	-2.0	-117.60	389.21	8.00	-109.60
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)=CO1	REAL300006443914	1	46	-2.0	-119.64	372.87	2.29	-117.35
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCOCC2	REAL300006444039	0	45	-2.0	-86.89	362.27	4.76	-82.13
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCOCC2	REAL300006444039	1	45	-2.0	-86.84	362.34	4.76	-82.08
O=C([O-])CC1CC2(CN1C(=O)C1=C[N-]N=CC1=O)CCOCC2	REAL300006444242	0	40	-2.0	-93.07	315.56	3.80	-89.27
COCC1=NC=C(C(=O)N2CC3(CC2CC(=O)[O-])CCOCC3)C(=O)[N-]1	REAL300006444264	1	47	-2.0	-129.53	372.51	3.72	-125.81
O=C([O-])CC1CC2(CN1C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCOCC2	REAL300006444302	1	50	-2.0	-100.27	380.81	5.14	-95.13
O=C([O-])CC1CC2(CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCOCC2	REAL300006444518	0	42	-2.0	-136.85	353.19	8.43	-128.42
O=C([O-])C1=CC=C(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2=C1CCCC2	REAL300006445673	0	42	-2.0	-102.54	346.94	9.26	-93.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)O1	REAL300006446313	1	42	-2.0	-89.58	363.15	3.40	-86.18
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C([O-])=C1	REAL300006447279	1	42	-2.0	-114.57	337.57	8.37	-106.20
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C2=C1CCCC2	REAL300006447714	1	38	-2.0	-95.13	316.56	7.63	-87.50
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=C1CCCC2	REAL300006447726	1	41	-2.0	-108.73	346.87	10.06	-98.67
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=C1CCCC2	REAL300006447766	0	38	-2.0	-94.75	312.99	5.64	-89.11
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=C1CCCC2	REAL300006447766	1	38	-2.0	-94.78	313.05	5.66	-89.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C=N1	REAL300006447829	0	44	-2.0	-96.96	371.75	5.72	-91.24
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=C1CCCC2	REAL300006447851	1	43	-2.0	-93.77	349.09	7.12	-86.65
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C2=C1CCCC2	REAL300006447884	1	37	-2.0	-99.05	305.36	5.73	-93.32
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2=C1CCCC2	REAL300006447968	0	45	-2.0	-115.12	377.54	8.90	-106.22
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=C1CCCC2	REAL300006447999	0	43	-2.0	-117.23	350.67	9.68	-107.55
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=C1CCCC2	REAL300006448233	0	38	-2.0	-93.23	332.83	8.17	-85.06
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=C1CCCC2	REAL300006448322	0	41	-2.0	-105.72	335.81	6.46	-99.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=C1CCCC2	REAL300006448322	1	41	-2.0	-105.74	335.87	6.47	-99.27
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C2=C1CCCC2	REAL300006448353	0	38	-2.0	-92.34	326.36	8.12	-84.22
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=CC(Cl)=C1[O-]	REAL300006448357	1	45	-2.0	-96.35	377.36	9.16	-87.19
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)=CO1	REAL300006448378	1	42	-2.0	-101.86	362.63	3.36	-98.50
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=C1CCCC2	REAL300006448515	0	41	-2.0	-87.58	346.13	6.27	-81.31
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=C1CCCC2	REAL300006448515	1	41	-2.0	-87.61	346.06	6.27	-81.34
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C2=C1CCCC2	REAL300006448738	0	36	-2.0	-85.99	297.58	6.17	-79.82
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=C2CCCC3)C(=O)[N-]1	REAL300006448761	1	43	-2.0	-93.49	350.95	4.79	-88.70
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=C1CCCC2	REAL300006448803	1	46	-2.0	-93.78	364.84	7.67	-86.11
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=C1CCCC2	REAL300006449033	0	38	-2.0	-104.14	340.93	10.09	-94.05
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])O1	REAL300006450676	1	51	-2.0	-104.29	403.46	6.33	-97.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])O1	REAL300006450677	1	42	-2.0	-103.16	349.84	3.79	-99.37
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=CS1	REAL300006451147	1	49	-2.0	-132.81	394.46	7.98	-124.83
CC1=C(CC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006451336	1	51	-2.0	-137.29	404.76	8.40	-128.89
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006452236	1	38	-2.0	-112.06	296.66	7.50	-104.56
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006452246	1	41	-2.0	-123.25	344.14	9.26	-113.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=N1	REAL300006452330	0	44	-2.0	-115.07	352.23	5.52	-109.55
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006452354	1	43	-2.0	-124.08	340.28	7.17	-116.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])=N2)=C1	REAL300006452404	0	54	-2.0	-154.08	416.85	11.38	-142.70
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])=N2)C=C1	REAL300006452405	0	54	-2.0	-151.96	416.13	11.18	-140.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300006452472	0	48	-2.0	-139.76	381.58	9.66	-130.10
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006452477	0	45	-2.0	-151.72	362.88	9.53	-142.19
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006452507	1	43	-2.0	-151.95	335.51	9.87	-142.08
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])=N2)=C1	REAL300006452642	0	48	-2.0	-157.78	380.67	9.91	-147.87
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300006452643	0	51	-2.0	-148.36	404.05	10.48	-137.88
CC1=C(CC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006452701	1	51	-2.0	-135.44	404.95	8.39	-127.05
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006452756	0	38	-2.0	-109.99	310.22	7.99	-102.00
COC1=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006452767	1	41	-2.0	-107.64	334.07	2.06	-105.58
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300006452841	0	41	-2.0	-119.60	322.98	6.63	-112.97
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300006452841	1	41	-2.0	-119.63	323.04	6.65	-112.98
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006452871	0	38	-2.0	-110.48	304.02	7.92	-102.56
CCOC1=CC(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006452875	1	45	-2.0	-114.85	354.99	8.96	-105.89
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CCC3C(=O)[O-])=N2)C=C1	REAL300006452881	0	49	-2.0	-151.20	385.38	8.56	-142.64
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=CO1	REAL300006452896	1	42	-2.0	-113.21	341.78	3.31	-109.90
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006453033	0	41	-2.0	-99.01	329.50	7.09	-91.92
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006453033	1	41	-2.0	-98.97	329.56	7.09	-91.88
COCC1=NC=C(C(=O)N2CC3(CCC3)CCC2C(=O)[O-])C(=O)[N-]1	REAL300006453291	1	43	-2.0	-125.98	348.87	4.84	-121.14
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006453333	1	46	-2.0	-124.21	356.03	7.71	-116.50
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006453573	0	38	-2.0	-119.92	338.20	9.29	-110.63
CCOC1=CC=C(C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C(=O)[O-])C=C1	REAL300006455095	1	42	-2.0	-99.55	383.99	1.54	-98.01
CCOC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300006456483	1	38	-2.0	-102.65	337.35	5.79	-96.86
CCOC1=CC=C(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1	REAL300006456495	1	41	-2.0	-121.39	367.46	8.38	-113.01
CCOC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006456536	0	38	-2.0	-99.05	334.78	3.85	-95.20
CCOC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006456536	1	38	-2.0	-99.04	334.84	3.87	-95.17
CCOC1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300006456598	0	44	-2.0	-106.71	391.95	3.94	-102.77
CCOC1=CC=C(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300006456620	1	43	-2.0	-115.36	370.12	5.36	-110.00
CCOC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300006456652	1	37	-2.0	-106.47	325.96	3.96	-102.51
CCOC1=CC=C(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300006456734	0	45	-2.0	-132.44	398.34	7.06	-125.38
CCOC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300006456765	1	43	-2.0	-138.08	371.47	7.94	-130.14
CCOC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300006457002	0	38	-2.0	-99.35	353.11	6.41	-92.94
CCOC1=CC=C(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1	REAL300006457015	1	41	-2.0	-100.15	359.48	1.41	-98.74
CCOC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300006457090	0	41	-2.0	-107.06	355.68	4.68	-102.38
CCOC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300006457090	1	41	-2.0	-107.03	355.73	4.69	-102.34
CCOC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300006457120	0	38	-2.0	-100.54	346.91	6.35	-94.19
CCOC1=CC=C(C(NC(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)C(=O)[O-])C=C1	REAL300006457124	1	45	-2.0	-104.90	398.20	7.32	-97.58
CCOC1=CC=C(C(NC(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C(=O)[O-])C=C1	REAL300006457145	1	42	-2.0	-104.87	382.51	1.57	-103.30
CCOC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300006457279	0	41	-2.0	-93.54	366.87	4.42	-89.12
CCOC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300006457279	1	41	-2.0	-93.52	366.94	4.43	-89.09
CCOC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300006457498	0	36	-2.0	-104.93	318.43	4.34	-100.59
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CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006465591	1	41	-2.0	-96.97	358.05	5.47	-91.50
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COCC1=NC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(=O)[N-]1	REAL300006476785	1	39	-2.0	-90.59	345.66	3.13	-87.46
O=C([O-])CC1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300006476833	1	42	-2.0	-91.27	359.57	6.02	-85.25
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COC1=CC=C(C(=O)NC2=CC(Br)=C(C(=O)[O-])C(OC)=C2)C([O-])=C1	REAL300006479053	1	36	-2.0	-116.21	327.27	6.41	-109.80
COC1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC(Br)=C1C(=O)[O-]	REAL300006479274	1	32	-2.0	-96.11	305.91	5.66	-90.45
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Br)=C1C(=O)[O-]	REAL300006479330	0	32	-2.0	-95.36	303.66	3.71	-91.65
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Br)=C1C(=O)[O-]	REAL300006479330	1	32	-2.0	-95.34	303.72	3.73	-91.61
COC1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC(Br)=C1C(=O)[O-]	REAL300006479386	1	31	-2.0	-99.65	295.06	3.76	-95.89
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(Br)=C1C(=O)[O-]	REAL300006479629	0	35	-2.0	-106.26	325.16	4.49	-101.77
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(Br)=C1C(=O)[O-]	REAL300006479629	1	35	-2.0	-106.29	325.22	4.51	-101.78
COC1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC(Br)=C1C(=O)[O-]	REAL300006479823	0	30	-2.0	-86.04	287.29	4.19	-81.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])=C1	REAL300006480795	0	47	-2.0	-115.48	400.76	6.53	-108.95
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006481065	0	47	-2.0	-116.49	400.84	6.75	-109.74
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])O1	REAL300006481481	1	41	-2.0	-100.27	371.82	2.55	-97.72
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006481718	0	44	-2.0	-114.75	379.37	5.85	-108.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=CC=C2CCC(=O)[O-])=CS1	REAL300006482053	1	48	-2.0	-110.50	413.56	6.97	-103.53
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=CC=C1CCC(=O)[O-]	REAL300006482269	0	44	-2.0	-107.90	385.83	5.92	-101.98
CC1=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006482357	1	50	-2.0	-110.54	403.41	7.35	-103.19
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300006483416	1	37	-2.0	-102.84	325.24	6.79	-96.05
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006483429	1	40	-2.0	-116.61	355.52	9.33	-107.28
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C=N1	REAL300006483559	0	43	-2.0	-106.01	380.42	4.88	-101.13
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006483595	1	42	-2.0	-109.51	358.23	6.29	-103.22
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CN=CC([O-])=C1	REAL300006483639	1	36	-2.0	-106.44	314.08	4.91	-101.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])=N1	REAL300006483751	0	47	-2.0	-126.11	407.53	9.03	-117.08
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006483756	0	44	-2.0	-127.59	386.22	8.07	-119.52
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006483802	1	42	-2.0	-130.22	359.32	8.96	-121.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CCC(=O)[O-])=N2)=C1	REAL300006483969	0	47	-2.0	-134.97	404.51	8.66	-126.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])=N1	REAL300006483970	0	50	-2.0	-133.37	421.05	9.74	-123.63
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COC1=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])NC(=O)[N-]C1=O	REAL300006484124	1	40	-2.0	-102.01	347.33	2.44	-99.57
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O=C([O-])CCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300006484228	1	40	-2.0	-106.09	344.19	5.66	-100.43
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006484268	0	37	-2.0	-100.17	335.03	7.29	-92.88
CCOC1=CC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006484272	1	44	-2.0	-104.70	386.03	8.31	-96.39
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CCC(=O)[O-])=N2)C=C1	REAL300006484281	0	48	-2.0	-129.51	409.29	7.30	-122.21
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])=CO1	REAL300006484305	1	41	-2.0	-105.85	371.01	2.53	-103.32
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006484473	0	40	-2.0	-94.06	354.72	5.44	-88.62
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006484473	1	40	-2.0	-94.04	354.79	5.44	-88.60
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=C[N-]N=CC1=O	REAL300006484772	0	35	-2.0	-99.71	306.24	5.33	-94.38
COCC1=NC=C(C(=O)NCC2=CC=CC=C2CCC(=O)[O-])C(=O)[N-]1	REAL300006484808	1	42	-2.0	-108.67	360.07	3.94	-104.73
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006484858	1	45	-2.0	-109.55	373.99	6.84	-102.71
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006485186	0	37	-2.0	-112.53	349.58	9.37	-103.16
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006486616	0	51	-2.0	-103.82	400.35	4.34	-99.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CCOC)(C(=O)[O-])CC1	REAL300006486865	0	51	-2.0	-106.89	404.96	4.60	-102.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)O1	REAL300006487241	1	45	-2.0	-91.62	369.37	0.86	-90.76
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006487447	0	48	-2.0	-104.43	381.94	3.64	-100.79
COCCC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CC1	REAL300006487750	1	52	-2.0	-100.58	416.96	5.33	-95.25
COCCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)CC1	REAL300006488034	1	54	-2.0	-111.22	414.29	5.02	-106.20
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300006489047	1	41	-2.0	-94.36	324.74	4.75	-89.61
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006489060	1	44	-2.0	-103.56	355.07	6.92	-96.64
COCCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300006489106	0	41	-2.0	-89.49	323.83	3.20	-86.29
COCCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300006489106	1	41	-2.0	-89.48	323.89	3.21	-86.27
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300006489187	0	47	-2.0	-95.69	379.94	2.75	-92.94
COCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006489222	1	46	-2.0	-94.85	357.00	4.08	-90.77
COCCC1(C(=O)[O-])CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300006489263	1	40	-2.0	-95.02	313.57	2.78	-92.24
COCCC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006489378	0	48	-2.0	-112.70	384.89	6.61	-106.09
COCCC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006489424	1	46	-2.0	-112.69	356.74	7.67	-105.02
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006489711	0	41	-2.0	-91.92	341.66	5.29	-86.63
COCCC1(C(=O)[O-])CCN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)CC1	REAL300006489729	1	44	-2.0	-93.26	353.79	-0.75	-94.01
COCCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300006489829	0	44	-2.0	-96.07	345.32	3.99	-92.08
COCCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300006489829	1	44	-2.0	-96.08	345.38	4.00	-92.08
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006489866	0	41	-2.0	-90.87	334.09	5.20	-85.67
CCOC1=CC(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006489869	1	48	-2.0	-94.20	385.57	6.27	-87.93
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CCOC)(C(=O)[O-])CC2)=CO1	REAL300006489903	1	45	-2.0	-93.00	369.94	0.58	-92.42
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006490068	0	44	-2.0	-86.25	354.15	4.17	-82.08
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006490068	1	44	-2.0	-86.27	354.22	4.19	-82.08
COCCC1(C(=O)[O-])CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300006490353	0	39	-2.0	-86.22	306.50	3.19	-83.03
COCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(COC)[N-]C2=O)CC1	REAL300006490387	1	46	-2.0	-93.89	359.10	1.68	-92.21
COCCC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006490435	1	49	-2.0	-97.81	381.83	4.77	-93.04
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006490747	0	41	-2.0	-99.51	349.14	6.96	-92.55
COCCC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)CC1	REAL300006491047	0	49	-2.0	-111.91	392.48	4.21	-107.70
CC1=C(CCC(=O)NC(CCC(C)C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300006491587	0	56	-2.0	-105.85	443.59	7.52	-98.33
CC1=C(CCC(=O)NC(CCC(C)C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006491587	1	56	-2.0	-105.85	443.59	7.52	-98.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CCC(C)C)C(=O)[O-])C=C1	REAL300006492138	1	48	-2.0	-127.29	407.22	10.45	-116.84
CC(C)CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006492500	1	49	-2.0	-97.50	411.81	3.74	-93.76
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC(C)C)C(=O)[O-])O1	REAL300006492501	1	40	-2.0	-96.27	357.05	1.31	-94.96
CC(C)CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300006492999	1	47	-2.0	-111.01	398.79	5.71	-105.30
CC1=C(CC(=O)NC(CCC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006493191	1	49	-2.0	-115.34	408.81	5.94	-109.40
CC(C)CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006493980	1	39	-2.0	-117.72	339.91	8.12	-109.60
CC(C)CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006494057	0	42	-2.0	-103.35	364.81	3.69	-99.66
CC(C)CCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300006494075	1	41	-2.0	-110.44	342.71	5.09	-105.35
CC(C)CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300006494123	0	52	-2.0	-132.64	424.42	8.72	-123.92
CC(C)CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300006494124	0	52	-2.0	-131.12	424.94	8.74	-122.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300006494177	0	46	-2.0	-127.20	392.71	7.76	-119.44
CC(C)CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006494182	0	43	-2.0	-128.30	371.40	6.82	-121.48
CC(C)CCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006494202	1	41	-2.0	-133.44	343.72	7.73	-125.71
CC(C)CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006494220	0	43	-2.0	-96.08	386.04	4.96	-91.12
CC(C)CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006494260	0	35	-2.0	-99.22	326.11	4.64	-94.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CCC(C)C)C(=O)[O-])=N2)=C1	REAL300006494310	0	46	-2.0	-135.55	389.49	7.47	-128.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300006494311	0	49	-2.0	-134.32	406.25	8.47	-125.85
CC1=C(CC(=O)NC(CCC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006494353	1	49	-2.0	-113.86	408.92	5.84	-108.02
CC(C)CCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006494390	0	36	-2.0	-96.38	326.42	6.11	-90.27
COC1=C(C(=O)NC(CCC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006494396	1	39	-2.0	-98.56	332.55	1.16	-97.40
CCOC1=CC(C(=O)NC(CCC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006494473	1	43	-2.0	-101.82	371.26	7.09	-94.73
CC(C)CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006494476	0	46	-2.0	-136.59	394.88	8.19	-128.40
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CCC(C)C)C(=O)[O-])=N2)C=C1	REAL300006494481	0	47	-2.0	-130.74	394.22	6.12	-124.62
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC(C)C)C(=O)[O-])=CO1	REAL300006494492	1	40	-2.0	-102.45	356.18	1.29	-101.16
CC(C)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006494597	0	39	-2.0	-90.10	339.12	4.21	-85.89
CC(C)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006494597	1	39	-2.0	-90.11	339.19	4.22	-85.89
COCC1=NC=C(C(=O)NC(CCC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300006494813	1	41	-2.0	-109.17	345.24	2.69	-106.48
CC(C)CCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006494849	1	44	-2.0	-110.91	359.30	5.58	-105.33
CC(C)CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006495044	0	36	-2.0	-113.70	334.81	8.10	-105.60
CC1=C(CCC(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006496439	1	49	-2.0	-101.38	400.61	5.84	-95.54
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300006496785	0	39	-2.0	-103.97	341.65	3.60	-100.37
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300006497089	0	39	-2.0	-105.09	341.73	3.83	-101.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300006497135	1	41	-2.0	-111.58	363.74	8.75	-102.83
O=C([O-])C12CC(NC(=O)C3=CC=C([N-]S(=O)(=O)C4=CC=CC=C4)C=C3)(C1)C2	REAL300006497317	1	43	-2.0	-97.29	380.81	5.83	-91.46
O=C([O-])C12CC(NC(=O)C3=CC=CC([N-]S(=O)(=O)C4=CC=CC=C4)=C3)(C1)C2	REAL300006497318	1	43	-2.0	-104.06	380.99	5.81	-98.25
CC1=CC(C(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006497331	0	39	-2.0	-83.16	362.23	4.00	-79.16
O=C([O-])C12CC(NC(=O)C3=CC=C([N-]S(=O)(=O)C4=CC=CS4)C=C3)(C1)C2	REAL300006497559	0	40	-2.0	-95.83	372.74	4.83	-91.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC23CC(C(=O)[O-])(C2)C3)O1	REAL300006497578	1	42	-2.0	-88.29	367.47	2.07	-86.22
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC23CC(C(=O)[O-])(C2)C3)O1	REAL300006497579	1	33	-2.0	-87.69	312.70	-0.37	-88.06
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300006497816	0	43	-2.0	-111.29	376.34	1.83	-109.46
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300006497861	0	36	-2.0	-103.60	320.26	2.93	-100.67
O=C([O-])C12CC(NC(=O)C3=CC=CC([N-]S(=O)(=O)C4=CC=CS4)=C3)(C1)C2	REAL300006497869	0	40	-2.0	-102.46	372.93	4.82	-97.64
CC(C)C(=O)[N-]C1=NC(CC(=O)NC23CC(C(=O)[O-])(C2)C3)=CS1	REAL300006498212	1	40	-2.0	-106.71	354.44	4.04	-102.67
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300006498417	0	36	-2.0	-96.78	326.67	2.99	-93.79
CC1=C(CC(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006498424	1	42	-2.0	-110.35	364.39	4.20	-106.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300006498429	0	42	-2.0	-105.52	363.22	4.62	-100.90
CC1=C(C(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006498487	1	42	-2.0	-92.94	344.14	4.45	-88.49
O=C([O-])C12CC(NC(=O)C3=CC=C(S(=O)(=O)[N-]C4=CC=CC=C4)C=C3)(C1)C2	REAL300006498587	1	43	-2.0	-95.61	380.98	5.81	-89.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300006499112	0	42	-2.0	-109.12	366.14	5.20	-103.92
O=C([O-])C12CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)C2	REAL300006499271	1	32	-2.0	-105.57	296.40	6.40	-99.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300006499356	0	35	-2.0	-94.50	321.31	1.96	-92.54
O=C([O-])C12CC(NC(=O)C3=CC=C(S(=O)(=O)[N-]C4=CC=NC=C4)C=C3)(C1)C2	REAL300006499417	1	42	-2.0	-92.10	376.02	4.03	-88.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)=C1	REAL300006499432	0	45	-2.0	-115.45	380.90	7.01	-108.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300006499433	0	45	-2.0	-114.57	380.65	7.03	-107.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300006499500	0	39	-2.0	-111.75	348.42	6.12	-105.63
O=C([O-])C12CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(C1)C2	REAL300006499504	0	36	-2.0	-113.08	327.06	5.16	-107.92
O=C([O-])C12CC(NC(=O)C3=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C3)(C1)C2	REAL300006499540	0	36	-2.0	-89.40	342.53	3.24	-86.16
O=C([O-])C12CC(NC(=O)C3=CN=C(I)C([O-])=C3)(C1)C2	REAL300006499576	0	28	-2.0	-91.65	281.77	2.99	-88.66
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)=C1	REAL300006499625	0	39	-2.0	-119.16	345.40	5.75	-113.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300006499626	0	42	-2.0	-116.69	354.73	6.91	-109.78
CC1=C(CC(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006499665	1	42	-2.0	-109.05	364.57	4.19	-104.86
CCOC1=CC(C(=O)NC23CC(C(=O)[O-])(C2)C3)=CC(Cl)=C1[O-]	REAL300006499768	1	36	-2.0	-93.53	326.92	5.41	-88.12
O=C([O-])C12CC(NC(=O)C3=NN(C4=CC=CC=C4C(F)(F)F)C=C3[O-])(C1)C2	REAL300006499772	0	39	-2.0	-118.10	350.55	6.52	-111.58
COC1=CC=C(N2C=C([O-])C(C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300006499779	0	40	-2.0	-114.42	350.13	4.40	-110.02
C[N-]S(=O)(=O)C1=CC(C(=O)NC23CC(C(=O)[O-])(C2)C3)=CO1	REAL300006499796	1	33	-2.0	-98.05	311.84	-0.39	-98.44
O=C([O-])C12CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)C2	REAL300006499913	0	32	-2.0	-84.47	295.43	2.53	-81.94
O=C([O-])C12CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)C2	REAL300006499913	1	32	-2.0	-84.45	295.50	2.54	-81.91
O=C([O-])C12CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)C2	REAL300006500163	1	37	-2.0	-92.11	314.71	3.99	-88.12
O=C([O-])C12CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300006500360	0	29	-2.0	-101.19	290.47	6.43	-94.76
CC1=C(C(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006500574	0	37	-2.0	-96.07	324.36	3.52	-92.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=C1	REAL300006501380	0	47	-2.0	-103.94	386.27	5.20	-98.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006501690	0	47	-2.0	-104.94	386.35	5.42	-99.52
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C=C1	REAL300006501738	1	49	-2.0	-115.05	408.31	10.34	-104.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)O1	REAL300006502179	1	50	-2.0	-90.13	411.88	3.66	-86.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)O1	REAL300006502180	1	41	-2.0	-89.46	357.11	1.22	-88.24
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006502452	0	44	-2.0	-103.53	364.88	4.52	-99.01
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=CS1	REAL300006502810	1	48	-2.0	-106.38	399.02	5.63	-100.75
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006503050	0	44	-2.0	-96.93	371.29	4.58	-92.35
CC1=C(CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006503053	1	50	-2.0	-112.84	409.89	5.83	-107.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	REAL300006503056	0	50	-2.0	-105.44	407.84	6.20	-99.24
CC1=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006503137	1	50	-2.0	-95.40	388.90	6.01	-89.39
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006504178	1	40	-2.0	-105.03	341.01	7.98	-97.05
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006504285	0	43	-2.0	-95.52	365.71	3.56	-91.96
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006504318	1	42	-2.0	-94.63	343.43	5.00	-89.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=N2)=C1	REAL300006504377	0	53	-2.0	-116.10	425.48	8.59	-107.51
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300006504378	0	53	-2.0	-114.36	425.04	8.60	-105.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=N1	REAL300006504468	0	47	-2.0	-111.92	392.94	7.69	-104.23
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006504473	0	44	-2.0	-113.45	371.63	6.74	-106.71
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006504504	1	42	-2.0	-114.95	344.78	7.59	-107.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=N2)=C1	REAL300006504659	0	47	-2.0	-119.67	389.97	7.32	-112.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=N1	REAL300006504660	0	50	-2.0	-117.16	399.49	8.46	-108.70
CC1=C(CC(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006504730	1	50	-2.0	-111.64	409.16	5.78	-105.86
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006504781	0	37	-2.0	-90.72	326.67	6.00	-84.72
COC1=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)NC(=O)[N-]C1=O	REAL300006504793	1	40	-2.0	-92.85	332.65	1.07	-91.78
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006504921	0	37	-2.0	-91.82	320.28	5.94	-85.88
CCOC1=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=CC(Cl)=C1[O-]	REAL300006504924	1	44	-2.0	-94.90	371.51	6.99	-87.91
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300006504936	0	48	-2.0	-114.32	394.33	5.98	-108.34
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)=CO1	REAL300006504959	1	41	-2.0	-97.97	356.38	1.19	-96.78
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006505115	0	40	-2.0	-85.90	340.19	4.10	-81.80
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006505115	1	40	-2.0	-85.84	340.26	4.10	-81.74
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(=O)[N-]1	REAL300006505436	1	42	-2.0	-93.99	345.65	2.58	-91.41
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006505480	1	45	-2.0	-94.28	359.29	5.56	-88.72
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006505779	0	37	-2.0	-100.71	335.09	8.01	-92.70
CC1=C(C(=O)N[C@H]2C[C@@H](CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006506082	0	45	-2.0	-98.44	369.13	5.09	-93.35
CCC(CCC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300006507574	1	53	-2.0	-97.29	417.88	6.61	-90.68
CCC(CCC(=O)[O-])NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300006507920	0	43	-2.0	-98.62	360.03	4.44	-94.18
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300006508230	0	43	-2.0	-99.51	360.11	4.66	-94.85
CCC(CCC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300006508276	1	45	-2.0	-99.57	382.11	9.57	-90.00
CCC(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006508458	1	47	-2.0	-99.41	399.20	6.66	-92.75
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006508459	1	47	-2.0	-100.59	399.37	6.66	-93.93
CCC(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300006508472	0	43	-2.0	-83.80	380.62	4.84	-78.96
CCC(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006508703	0	44	-2.0	-97.07	391.12	5.66	-91.41
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006508722	1	46	-2.0	-94.01	385.85	2.91	-91.10
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300006508723	1	37	-2.0	-92.92	331.08	0.46	-92.46
CCC(CCC(=O)[O-])NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300006508960	0	47	-2.0	-104.69	394.71	2.66	-102.03
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006509004	0	40	-2.0	-98.12	338.64	3.77	-94.35
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006509011	0	44	-2.0	-98.94	391.31	5.67	-93.27
CCC(CCC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006509360	1	44	-2.0	-98.82	372.85	4.87	-93.95
CCC(CCC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006509575	0	40	-2.0	-93.08	345.05	3.82	-89.26
CCC(CCC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006509582	1	46	-2.0	-107.47	383.70	5.06	-102.41
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC)CCC(=O)[O-]	REAL300006509587	0	46	-2.0	-100.06	381.64	5.45	-94.61
CCC(CCC(=O)[O-])NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300006509650	1	46	-2.0	-100.87	362.82	5.30	-95.57
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006509748	1	47	-2.0	-94.04	399.36	6.65	-87.39
CCC(CCC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006510300	0	46	-2.0	-102.71	384.53	6.03	-96.68
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006510469	1	36	-2.0	-98.29	314.74	7.12	-91.17
CCC(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006510558	0	39	-2.0	-96.54	339.69	2.80	-93.74
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006510620	1	46	-2.0	-90.22	394.40	4.87	-85.35
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006510635	0	49	-2.0	-113.65	399.29	7.81	-105.84
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006510636	0	49	-2.0	-111.88	399.22	7.81	-104.07
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006510704	0	43	-2.0	-108.56	366.76	6.91	-101.65
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006510708	0	40	-2.0	-109.11	345.44	5.96	-103.15
CCC(CCC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006510730	1	38	-2.0	-110.32	318.59	6.75	-103.57
CCC(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006510748	0	40	-2.0	-84.78	360.91	4.08	-80.70
CCC(CCC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006510788	0	32	-2.0	-88.98	300.15	3.80	-85.18
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006510838	0	43	-2.0	-116.01	363.78	6.54	-109.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)CCC(=O)[O-])=N1	REAL300006510839	0	46	-2.0	-113.81	380.29	7.62	-106.19
CCC(CCC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006510884	1	46	-2.0	-106.18	382.97	5.01	-101.17
CCC(CCC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006510918	0	33	-2.0	-89.36	300.46	5.27	-84.09
CCOC1=CC(C(=O)NC(CC)CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006511004	1	40	-2.0	-93.95	345.30	6.24	-87.71
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006511008	0	43	-2.0	-117.32	368.92	7.33	-109.99
CCC(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006511015	0	44	-2.0	-111.79	368.51	5.19	-106.60
CCC(CCC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300006511032	1	37	-2.0	-92.83	330.22	0.44	-92.39
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006511153	0	36	-2.0	-85.67	314.00	3.33	-82.34
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006511153	1	36	-2.0	-85.66	314.06	3.34	-82.32
CCC(CCC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006511418	1	41	-2.0	-98.85	333.67	4.73	-94.12
CCC(CCC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006511634	0	33	-2.0	-95.15	308.85	7.16	-87.99
CCC(CCC(=O)[O-])NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300006511866	0	41	-2.0	-102.94	342.80	4.36	-98.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCCC(C(=O)[O-])CC2)=C1	REAL300006513598	0	47	-2.0	-102.62	376.14	4.99	-97.63
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006513908	0	47	-2.0	-101.48	375.62	5.16	-96.32
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCCC(C(=O)[O-])CC2)C=C1	REAL300006513956	1	49	-2.0	-109.78	398.46	10.10	-99.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)O1	REAL300006514397	1	50	-2.0	-89.77	401.86	3.41	-86.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)O1	REAL300006514398	1	41	-2.0	-89.23	347.09	0.96	-88.27
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006514670	0	44	-2.0	-100.05	354.15	4.26	-95.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCCC(C(=O)[O-])CC2)=CS1	REAL300006515028	1	48	-2.0	-109.11	389.59	5.46	-103.65
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006515268	0	44	-2.0	-98.65	361.79	4.41	-94.24
CC1=C(CC(=O)NC2CCCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006515271	1	50	-2.0	-105.87	398.24	5.52	-100.35
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCC(C(=O)[O-])CC1	REAL300006515274	0	50	-2.0	-101.93	397.12	5.95	-95.98
CC1=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006515355	1	50	-2.0	-91.30	378.35	5.78	-85.52
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006516396	1	40	-2.0	-107.77	331.52	7.81	-99.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C=N1	REAL300006516503	0	43	-2.0	-95.73	355.76	3.33	-92.40
O=C([O-])C1CCCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006516536	1	42	-2.0	-92.07	333.53	4.75	-87.32
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCCC(C(=O)[O-])CC3)=N2)=C1	REAL300006516595	0	53	-2.0	-116.06	415.38	8.36	-107.70
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCCC(C(=O)[O-])CC3)=N2)C=C1	REAL300006516596	0	53	-2.0	-115.21	415.30	8.37	-106.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCCC(C(=O)[O-])CC2)=N1	REAL300006516686	0	47	-2.0	-112.48	382.84	7.47	-105.01
O=C([O-])C1CCCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006516691	0	44	-2.0	-113.84	361.52	6.51	-107.33
O=C([O-])C1CCCC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006516722	1	42	-2.0	-114.59	334.60	7.36	-107.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCCC(C(=O)[O-])CC3)=N2)=C1	REAL300006516877	0	47	-2.0	-119.94	379.86	7.09	-112.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCCC(C(=O)[O-])CC2)=N1	REAL300006516878	0	50	-2.0	-117.85	396.38	8.18	-109.67
CC1=C(CC(=O)NC2CCCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006516948	1	50	-2.0	-104.51	398.43	5.51	-99.00
O=C([O-])C1CCCC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006516999	0	37	-2.0	-91.91	316.53	5.79	-86.12
COC1=C(C(=O)NC2CCCC(C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006517011	1	40	-2.0	-93.01	322.45	0.85	-92.16
O=C([O-])C1CCCC(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006517139	0	37	-2.0	-88.49	309.79	5.70	-82.79
CCOC1=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006517142	1	44	-2.0	-95.10	361.32	6.75	-88.35
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCCC(C(=O)[O-])CC3)=N2)C=C1	REAL300006517154	0	48	-2.0	-116.55	385.25	5.79	-110.76
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCCC(C(=O)[O-])CC2)=CO1	REAL300006517177	1	41	-2.0	-99.48	346.29	0.96	-98.52
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006517333	0	40	-2.0	-85.88	330.07	3.85	-82.03
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006517333	1	40	-2.0	-85.86	330.14	3.87	-81.99
COCC1=NC=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C(=O)[N-]1	REAL300006517654	1	42	-2.0	-91.60	335.39	2.40	-89.20
O=C([O-])C1CCCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006517698	1	45	-2.0	-92.10	349.30	5.30	-86.80
O=C([O-])C1CCCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006517997	0	37	-2.0	-101.53	324.86	7.78	-93.75
CC1=C(C(=O)NC2CCCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006518300	0	45	-2.0	-94.44	358.58	4.84	-89.60
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCCC2	REAL300006518938	0	42	-2.0	-105.47	334.74	8.60	-96.87
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006519731	1	51	-2.0	-113.75	407.79	4.88	-108.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)O1	REAL300006519732	1	42	-2.0	-112.37	352.33	2.48	-109.89
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=CS1	REAL300006520202	1	49	-2.0	-95.41	394.67	6.81	-88.60
CC1=C(CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006520391	1	51	-2.0	-111.58	407.12	7.02	-104.56
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCCC2	REAL300006521291	1	38	-2.0	-93.32	305.60	6.26	-87.06
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCCC2	REAL300006521301	1	41	-2.0	-97.64	334.44	8.69	-88.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C=N1	REAL300006521385	0	44	-2.0	-106.90	359.85	4.29	-102.61
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCCC2	REAL300006521409	1	43	-2.0	-105.95	346.57	5.79	-100.16
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=N2)=C1	REAL300006521459	0	54	-2.0	-136.00	420.52	10.03	-125.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=N2)C=C1	REAL300006521460	0	54	-2.0	-133.28	420.45	10.05	-123.23
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=N1	REAL300006521527	0	48	-2.0	-128.78	386.24	9.00	-119.78
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCCC2	REAL300006521532	0	45	-2.0	-128.87	366.67	8.19	-120.68
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCCC2	REAL300006521562	1	43	-2.0	-136.34	339.44	9.32	-127.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=N2)=C1	REAL300006521697	0	48	-2.0	-137.66	385.00	8.77	-128.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=N1	REAL300006521698	0	51	-2.0	-137.10	401.85	9.83	-127.27
CC1=C(CC(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006521756	1	51	-2.0	-109.34	407.21	7.01	-102.33
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCCC2	REAL300006521811	0	38	-2.0	-90.75	321.62	6.81	-83.94
COC1=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)NC(=O)[N-]C1=O	REAL300006521822	1	41	-2.0	-107.77	328.68	2.29	-105.48
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL300006521896	0	41	-2.0	-90.22	325.23	5.47	-84.75
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL300006521896	1	41	-2.0	-90.21	325.29	5.48	-84.73
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCCC2	REAL300006521926	0	38	-2.0	-90.81	315.40	6.75	-84.06
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=CC(Cl)=C1[O-]	REAL300006521930	1	45	-2.0	-96.75	366.47	7.78	-88.97
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(CCCC4)C3)=N2)C=C1	REAL300006521936	0	49	-2.0	-132.66	389.74	7.42	-125.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)=CO1	REAL300006521951	1	42	-2.0	-98.11	348.48	2.06	-96.05
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300006522088	0	41	-2.0	-84.65	333.91	5.75	-78.90
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300006522088	1	41	-2.0	-84.65	333.97	5.78	-78.87
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C3(CCCC3)C2)C(=O)[N-]1	REAL300006522346	1	43	-2.0	-107.02	340.07	3.35	-103.67
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCCC2	REAL300006522388	1	46	-2.0	-105.66	362.42	6.34	-99.32
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCC2	REAL300006522628	0	38	-2.0	-95.72	328.96	8.68	-87.04
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300006523962	1	47	-2.0	-128.92	392.76	11.31	-117.61
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])O1	REAL300006524323	1	48	-2.0	-120.42	393.38	5.13	-115.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])O1	REAL300006524324	1	39	-2.0	-117.62	337.93	2.71	-114.91
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCC3)CC2C(=O)[O-])=CS1	REAL300006524822	1	46	-2.0	-105.05	385.22	6.74	-98.31
CC1=C(CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006525016	1	48	-2.0	-115.03	391.69	6.75	-108.28
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006525886	1	38	-2.0	-125.47	327.21	8.04	-117.43
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C=N1	REAL300006525970	0	41	-2.0	-117.28	350.50	4.22	-113.06
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006525991	1	40	-2.0	-131.49	324.15	6.48	-125.01
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)=C1	REAL300006526042	0	51	-2.0	-143.31	403.80	9.84	-133.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)C=C1	REAL300006526043	0	51	-2.0	-138.89	403.86	9.86	-129.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300006526105	0	45	-2.0	-135.19	371.69	8.55	-126.64
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006526110	0	42	-2.0	-132.70	350.71	8.02	-124.68
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006526134	1	40	-2.0	-134.66	324.78	9.45	-125.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)=C1	REAL300006526258	0	45	-2.0	-143.13	368.42	8.59	-134.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300006526259	0	48	-2.0	-142.51	386.70	9.72	-132.79
CC1=C(CC(=O)N2CC3(CCC3)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006526309	1	48	-2.0	-113.69	395.34	6.88	-106.81
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006526352	0	35	-2.0	-106.69	310.49	6.59	-100.10
COC1=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006526359	1	38	-2.0	-112.97	319.17	0.84	-112.13
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006526449	0	35	-2.0	-108.35	302.79	6.49	-101.86
CCOC1=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006526452	1	42	-2.0	-114.68	356.25	7.66	-107.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)C=C1	REAL300006526460	0	46	-2.0	-137.89	373.81	7.25	-130.64
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCC3)CC2C(=O)[O-])=CO1	REAL300006526474	1	39	-2.0	-108.49	338.81	2.02	-106.47
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006526602	0	38	-2.0	-101.00	320.24	5.93	-95.07
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006526602	1	38	-2.0	-100.98	320.31	5.93	-95.05
COCC1=NC=C(C(=O)N2CC3(CCC3)CC2C(=O)[O-])C(=O)[N-]1	REAL300006526848	1	40	-2.0	-131.56	335.19	3.84	-127.72
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006526885	1	43	-2.0	-134.90	349.16	6.72	-128.18
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006527111	0	35	-2.0	-120.56	320.43	8.02	-112.54
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300006529210	0	45	-2.0	-117.09	378.99	3.30	-113.79
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006529519	0	45	-2.0	-118.11	379.31	3.47	-114.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300006529566	1	47	-2.0	-114.94	402.75	8.42	-106.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006530002	1	48	-2.0	-97.09	405.49	1.73	-95.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])O1	REAL300006530003	1	39	-2.0	-95.70	350.04	-0.67	-96.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006530276	0	42	-2.0	-116.33	357.60	2.62	-113.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCOC2)C(=O)[O-])=CS1	REAL300006530627	1	46	-2.0	-117.70	391.78	3.72	-113.98
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006530865	0	42	-2.0	-107.13	362.12	2.33	-104.80
CC1=C(CC(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006530868	1	48	-2.0	-114.13	403.20	3.96	-110.17
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300006530871	0	48	-2.0	-118.76	400.81	4.25	-114.51
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006530952	1	48	-2.0	-110.24	383.31	4.11	-106.13
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006531985	1	38	-2.0	-119.02	333.74	6.09	-112.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C=N1	REAL300006532093	0	41	-2.0	-103.94	358.65	1.65	-102.29
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006532127	1	40	-2.0	-110.39	336.52	3.04	-107.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)=C1	REAL300006532186	0	51	-2.0	-132.48	419.97	6.75	-125.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C=C1	REAL300006532187	0	51	-2.0	-131.59	418.18	6.69	-124.90
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300006532278	0	45	-2.0	-127.58	380.28	5.76	-121.82
O=C([O-])C(CC1CCOC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006532283	0	42	-2.0	-128.76	365.88	4.95	-123.81
O=C([O-])C(CC1CCOC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006532315	1	40	-2.0	-131.48	338.11	5.75	-125.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)=C1	REAL300006532474	0	45	-2.0	-136.15	382.98	5.36	-130.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300006532475	0	48	-2.0	-134.87	399.25	6.49	-128.38
CC1=C(CC(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006532546	1	48	-2.0	-112.63	403.22	3.85	-108.78
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006532598	0	35	-2.0	-97.06	316.20	4.61	-92.45
COC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006532611	1	38	-2.0	-97.49	326.64	-0.82	-98.31
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006532740	0	35	-2.0	-97.36	314.29	4.10	-93.26
CCOC1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006532743	1	42	-2.0	-102.08	361.05	5.58	-96.50
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C=C1	REAL300006532755	0	46	-2.0	-131.15	387.47	4.07	-127.08
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCOC2)C(=O)[O-])=CO1	REAL300006532778	1	39	-2.0	-101.28	344.81	-1.05	-102.33
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006532934	0	38	-2.0	-90.32	331.06	1.85	-88.47
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006532934	1	38	-2.0	-90.26	331.13	1.86	-88.40
COCC1=NC=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]1	REAL300006533251	1	40	-2.0	-108.91	338.38	0.70	-108.21
O=C([O-])C(CC1CCOC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006533295	1	43	-2.0	-109.49	352.15	3.61	-105.88
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006533597	0	35	-2.0	-113.14	325.92	5.76	-107.38
CC1=C(C(=O)NC(CC2CCOC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006533896	0	43	-2.0	-112.92	357.62	2.84	-110.08
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006535144	1	34	-2.0	-99.47	328.69	7.16	-92.31
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300006535201	0	34	-2.0	-95.98	326.78	5.23	-90.75
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300006535201	1	34	-2.0	-95.95	326.84	5.24	-90.71
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300006535258	1	33	-2.0	-103.57	318.18	5.27	-98.30
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300006535513	0	37	-2.0	-105.60	348.28	6.01	-99.59
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300006535513	1	37	-2.0	-105.60	348.34	6.02	-99.58
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006535529	0	34	-2.0	-97.44	339.31	7.62	-89.82
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300006535720	0	32	-2.0	-100.85	310.57	5.66	-95.19
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C1	REAL300006537781	1	44	-2.0	-133.15	391.66	11.19	-121.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300006538133	1	45	-2.0	-96.44	391.50	4.74	-91.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])O1	REAL300006538134	1	36	-2.0	-95.28	336.06	2.35	-92.93
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300006538616	1	43	-2.0	-116.99	381.89	6.47	-110.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300006538811	1	45	-2.0	-121.46	391.64	6.91	-114.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006539695	1	35	-2.0	-129.45	322.15	7.93	-121.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300006539780	0	38	-2.0	-117.78	340.44	3.29	-114.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006539802	1	37	-2.0	-118.86	326.79	4.75	-114.11
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C1	REAL300006539852	0	48	-2.0	-138.80	405.39	9.79	-129.01
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300006539853	0	48	-2.0	-137.65	404.19	9.93	-127.72
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300006539916	0	42	-2.0	-133.95	353.32	8.51	-125.44
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006539921	0	39	-2.0	-135.10	350.38	8.08	-127.02
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006539947	1	37	-2.0	-139.83	323.34	8.82	-131.01
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300006540079	0	42	-2.0	-142.88	368.74	8.66	-134.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300006540080	0	45	-2.0	-141.01	385.75	9.74	-131.27
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300006540133	1	45	-2.0	-119.23	390.92	6.86	-112.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006540180	0	32	-2.0	-99.05	304.66	6.76	-92.29
COC1=C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006540188	1	35	-2.0	-100.14	313.76	1.71	-98.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300006540286	0	32	-2.0	-103.97	294.95	5.78	-98.19
CCOC1=CC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006540289	1	39	-2.0	-110.62	349.70	6.80	-103.82
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H](SC)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300006540297	0	43	-2.0	-137.14	373.48	7.31	-129.83
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=CO1	REAL300006540312	1	36	-2.0	-106.95	334.33	1.73	-105.22
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006540439	0	35	-2.0	-91.88	318.60	5.63	-86.25
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006540439	1	35	-2.0	-91.91	318.67	5.65	-86.26
COCC1=NC=C(C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300006540686	1	37	-2.0	-116.82	328.62	2.41	-114.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006540724	1	40	-2.0	-126.40	347.86	6.30	-120.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006540955	0	32	-2.0	-113.47	314.24	7.02	-106.45
CC1=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)N(C)N=C1C(=O)[O-]	REAL300006543937	1	43	-2.0	-106.62	380.41	9.05	-97.57
CC1=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)N(C)N=C1C(=O)[O-]	REAL300006544298	1	44	-2.0	-91.88	380.08	2.41	-89.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)O1	REAL300006544299	1	35	-2.0	-91.58	325.32	-0.02	-91.60
CC1=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)N(C)N=C1C(=O)[O-]	REAL300006544797	1	42	-2.0	-107.65	371.02	4.35	-103.30
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)N(C)N=C1C(=O)[O-]	REAL300006544991	1	44	-2.0	-112.04	380.92	4.50	-107.54
COC1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C([O-])=C1	REAL300006545434	1	35	-2.0	-108.24	299.74	4.85	-103.39
CC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006545861	1	34	-2.0	-100.17	309.02	6.54	-93.63
CC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)N(C)N=C1C(=O)[O-]	REAL300006545945	0	37	-2.0	-97.84	340.75	2.27	-95.57
CC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)N(C)N=C1C(=O)[O-]	REAL300006545966	1	36	-2.0	-94.71	315.05	3.69	-91.02
CC1=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006546017	0	47	-2.0	-113.12	397.43	7.31	-105.81
CC1=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006546018	0	47	-2.0	-112.00	397.34	7.31	-104.69
CC1=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006546080	0	41	-2.0	-109.25	360.08	6.39	-102.86
CC1=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006546085	0	38	-2.0	-110.64	343.56	5.46	-105.18
CC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)N(C)N=C1C(=O)[O-]	REAL300006546109	0	36	-2.0	-109.20	312.83	6.17	-103.03
CC1=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006546233	0	41	-2.0	-116.32	361.92	6.04	-110.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)=N1	REAL300006546234	0	44	-2.0	-113.89	371.17	7.20	-106.69
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)N(C)N=C1C(=O)[O-]	REAL300006546284	1	44	-2.0	-111.04	381.10	4.49	-106.55
CC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)N(C)N=C1C(=O)[O-]	REAL300006546327	0	31	-2.0	-92.95	301.51	4.73	-88.22
CC1=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)N(C)N=C1C(=O)[O-]	REAL300006546424	0	31	-2.0	-93.05	292.40	4.66	-88.39
CCOC1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)=CC(Cl)=C1[O-]	REAL300006546427	1	38	-2.0	-96.46	346.35	5.71	-90.75
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C)C(C(=O)[O-])=NN3C)=N2)C=C1	REAL300006546435	0	42	-2.0	-112.24	366.64	4.69	-107.55
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)=CO1	REAL300006546449	1	35	-2.0	-100.61	331.27	-0.10	-100.71
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C)N=C1C(=O)[O-]	REAL300006546577	0	34	-2.0	-87.95	308.29	2.85	-85.10
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N(C)N=C1C(=O)[O-]	REAL300006546577	1	34	-2.0	-88.00	308.22	2.84	-85.16
COCC1=NC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2C)C(=O)[N-]1	REAL300006546823	1	36	-2.0	-94.15	316.89	1.35	-92.80
CC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)N(C)N=C1C(=O)[O-]	REAL300006546860	1	39	-2.0	-94.77	330.80	4.24	-90.53
CC1=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N(C)N=C1C(=O)[O-]	REAL300006547086	0	31	-2.0	-96.61	303.10	6.57	-90.04
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300006548749	0	42	-2.0	-121.12	358.98	6.15	-114.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])O1	REAL300006549498	1	42	-2.0	-104.31	375.23	0.16	-104.15
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NN2CCCCC2=C1C(=O)[O-]	REAL300006549688	0	45	-2.0	-117.12	382.79	3.47	-113.65
CC1=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006550220	1	51	-2.0	-120.38	406.86	4.96	-115.42
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300006551217	1	38	-2.0	-105.40	328.59	4.39	-101.01
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006551230	1	41	-2.0	-117.76	358.95	6.95	-110.81
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCC1=N[N-]N=N1	REAL300006551286	0	38	-2.0	-101.10	326.06	2.47	-98.63
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCC1=NN=N[N-]1	REAL300006551286	1	38	-2.0	-101.10	326.12	2.48	-98.62
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C=N1	REAL300006551366	0	44	-2.0	-110.03	383.84	2.49	-107.54
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006551397	1	43	-2.0	-118.93	361.40	3.96	-114.97
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CN=CC([O-])=C1	REAL300006551436	1	37	-2.0	-106.67	317.45	2.53	-104.14
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006551548	0	45	-2.0	-129.89	389.59	5.68	-124.21
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006551594	1	43	-2.0	-134.66	362.75	6.56	-128.10
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006551882	0	38	-2.0	-101.70	344.61	4.96	-96.74
COC1=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006551901	1	41	-2.0	-103.15	350.79	0.03	-103.12
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300006551997	0	41	-2.0	-106.59	347.56	3.25	-103.34
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300006551997	1	41	-2.0	-106.58	347.62	3.26	-103.32
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006552032	0	38	-2.0	-102.72	338.39	4.89	-97.83
CCOC1=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006552036	1	45	-2.0	-107.15	389.45	5.93	-101.22
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])=CO1	REAL300006552069	1	42	-2.0	-104.52	374.37	0.14	-104.38
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006552229	0	41	-2.0	-97.14	358.15	3.04	-94.10
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006552229	1	41	-2.0	-97.11	358.21	3.04	-94.07
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=C[N-]N=CC1=O	REAL300006552506	0	36	-2.0	-107.17	309.66	2.94	-104.23
COCC1=NC=C(C(=O)NCC2=NN3CCCCC3=C2C(=O)[O-])C(=O)[N-]1	REAL300006552539	1	43	-2.0	-117.24	363.49	1.55	-115.69
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006552587	1	46	-2.0	-118.69	377.41	4.45	-114.24
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006552889	0	38	-2.0	-114.73	353.00	6.98	-107.75
CO[C@@]1(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])C1	REAL300006554102	0	45	-2.0	-99.41	379.87	2.89	-96.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300006554411	0	45	-2.0	-99.42	381.60	3.05	-96.37
CO[C@@]1(CNC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300006554458	1	47	-2.0	-109.00	403.68	7.92	-101.08
CO[C@@]1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@@H](C(=O)[O-])C1	REAL300006554894	1	48	-2.0	-93.38	404.17	1.40	-91.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)O1	REAL300006554895	1	39	-2.0	-91.55	352.56	-1.16	-92.71
CO[C@@]1(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])C1	REAL300006555168	0	42	-2.0	-98.66	359.73	2.08	-96.58
CO[C@@]1(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C[C@@H](C(=O)[O-])C1	REAL300006555519	1	46	-2.0	-99.40	392.31	3.27	-96.13
CO[C@@]1(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])C1	REAL300006555757	0	42	-2.0	-92.64	366.50	2.22	-90.42
CO[C@@]1(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006555760	1	48	-2.0	-103.12	404.61	3.38	-99.74
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300006555763	0	48	-2.0	-100.88	401.45	3.91	-96.97
CO[C@@]1(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006555844	1	48	-2.0	-96.97	384.27	3.55	-93.42
CO[C@@]1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006556877	1	38	-2.0	-98.18	336.22	5.63	-92.55
CO[C@@]1(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@@H](C(=O)[O-])C1	REAL300006556985	0	41	-2.0	-94.95	361.14	1.18	-93.77
CO[C@@]1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006557019	1	40	-2.0	-94.33	339.03	2.69	-91.64
CO[C@@]1(CNC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006557078	0	51	-2.0	-112.43	418.21	6.26	-106.17
CO[C@@]1(CNC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006557079	0	51	-2.0	-110.61	420.14	6.14	-104.47
CO[C@@]1(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006557170	0	45	-2.0	-106.22	382.73	5.29	-100.93
CO[C@@]1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006557175	0	42	-2.0	-110.65	364.41	4.41	-106.24
CO[C@@]1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H](C(=O)[O-])C1	REAL300006557207	1	40	-2.0	-109.22	340.04	5.25	-103.97
CO[C@@]1(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006557366	0	45	-2.0	-115.42	384.63	4.98	-110.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)=N1	REAL300006557367	0	48	-2.0	-112.55	400.09	6.02	-106.53
CO[C@@]1(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006557438	1	48	-2.0	-101.57	403.88	3.32	-98.25
CO[C@@]1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300006557490	0	35	-2.0	-90.03	320.30	3.71	-86.32
COC1=C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006557503	1	38	-2.0	-92.85	327.28	-1.37	-94.22
CO[C@@]1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300006557632	0	35	-2.0	-89.35	315.60	3.51	-85.84
CCOC1=CC(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006557635	1	42	-2.0	-93.00	366.75	4.61	-88.39
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@]3(OC)C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300006557647	0	46	-2.0	-110.69	389.53	3.54	-107.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CO1	REAL300006557670	1	39	-2.0	-94.46	349.20	-1.14	-95.60
CO[C@@]1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])C1	REAL300006557826	0	38	-2.0	-86.22	334.92	1.64	-84.58
CO[C@@]1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])C1	REAL300006557826	1	38	-2.0	-86.20	334.98	1.65	-84.55
COCC1=NC=C(C(=O)NC[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300006558143	1	40	-2.0	-93.67	340.88	0.34	-93.33
CO[C@@]1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006558187	1	43	-2.0	-101.51	355.42	4.26	-97.25
CO[C@@]1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H](C(=O)[O-])C1	REAL300006558489	0	35	-2.0	-95.74	330.19	5.61	-90.13
CO[C@@]1(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C[C@@H](C(=O)[O-])C1	REAL300006558788	0	43	-2.0	-100.58	364.38	2.71	-97.87
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=C1	REAL300006559677	0	46	-2.0	-95.29	388.23	3.16	-92.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006559966	0	46	-2.0	-96.18	388.30	3.38	-92.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)O1	REAL300006560410	1	40	-2.0	-88.95	359.28	-0.81	-89.76
CC1OC2(CNC(=O)C3=CC=CC=C3[N-]S(C)(=O)=O)CC1(C(=O)[O-])C2	REAL300006560665	0	43	-2.0	-94.89	366.84	2.48	-92.41
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=CS1	REAL300006561002	1	47	-2.0	-95.23	399.09	3.53	-91.70
CC1OC2(CNC(=O)C3=CC(F)=CC=C3[N-]S(C)(=O)=O)CC1(C(=O)[O-])C2	REAL300006561226	0	43	-2.0	-89.68	373.24	2.54	-87.14
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006561228	1	49	-2.0	-100.97	409.93	3.73	-97.24
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(C1)C(C)O2	REAL300006561231	0	49	-2.0	-96.69	409.80	4.17	-92.52
CC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006561312	1	49	-2.0	-94.19	389.69	3.92	-90.27
CC1OC2(CNC(=O)C3=CC=C([O-])C(F)=C3)CC1(C(=O)[O-])C2	REAL300006562357	1	36	-2.0	-89.28	310.70	3.35	-85.93
CC1OC2(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC1(C(=O)[O-])C2	REAL300006562369	1	39	-2.0	-94.63	342.97	5.96	-88.67
CC1OC2(CNC(=O)C3=CC=C([N-]S(C)(=O)=O)N=C3)CC1(C(=O)[O-])C2	REAL300006562477	0	42	-2.0	-92.55	365.93	1.45	-91.10
CC1OC2(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)CC1(C(=O)[O-])C2	REAL300006562513	1	41	-2.0	-92.06	345.69	2.92	-89.14
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)=N2)=C1	REAL300006562570	0	52	-2.0	-107.73	427.48	6.56	-101.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)=N2)C=C1	REAL300006562571	0	52	-2.0	-106.38	427.41	6.56	-99.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=N1	REAL300006562665	0	46	-2.0	-102.62	389.54	5.63	-96.99
CC1OC2(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC1(C(=O)[O-])C2	REAL300006562670	0	43	-2.0	-104.16	373.63	4.71	-99.45
CC1OC2(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC1(C(=O)[O-])C2	REAL300006562711	1	41	-2.0	-105.33	346.78	5.59	-99.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)=N2)=C1	REAL300006562874	0	46	-2.0	-110.43	391.97	5.29	-105.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=N1	REAL300006562875	0	49	-2.0	-108.53	408.46	6.37	-102.16
CC1=C(CC(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006562952	1	49	-2.0	-99.64	409.19	3.67	-95.97
CC1OC2(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300006563014	0	36	-2.0	-86.15	326.70	3.91	-82.24
COC1=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)NC(=O)[N-]C1=O	REAL300006563031	1	39	-2.0	-89.42	334.79	-0.95	-90.37
CC1OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300006563130	0	39	-2.0	-91.22	329.64	2.21	-89.01
CC1OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300006563130	1	39	-2.0	-91.24	329.70	2.22	-89.02
CC1OC2(CNC(=O)C3=CC=C([O-])C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300006563167	0	36	-2.0	-85.95	320.49	3.84	-82.11
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=CC(Cl)=C1[O-]	REAL300006563171	1	43	-2.0	-90.35	371.54	4.89	-85.46
COC1=CC=C(N2C=C([O-])C(C(=O)NCC34CC(C(=O)[O-])(C3)C(C)O4)=N2)C=C1	REAL300006563181	0	47	-2.0	-105.86	396.70	3.94	-101.92
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)=CO1	REAL300006563205	1	40	-2.0	-90.50	356.47	-0.90	-91.40
CC1OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1(C(=O)[O-])C2	REAL300006563368	0	39	-2.0	-83.08	340.24	2.01	-81.07
CC1OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1(C(=O)[O-])C2	REAL300006563368	1	39	-2.0	-83.03	340.30	2.01	-81.02
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(C2)C(C)O3)C(=O)[N-]1	REAL300006563701	1	41	-2.0	-91.27	347.53	0.57	-90.70
CC1OC2(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC1(C(=O)[O-])C2	REAL300006563749	1	44	-2.0	-92.17	361.45	3.46	-88.71
CC1OC2(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC1(C(=O)[O-])C2	REAL300006564068	0	36	-2.0	-91.32	337.04	6.00	-85.32
CC1=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006565628	1	48	-2.0	-113.03	397.66	5.78	-107.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=C1	REAL300006565988	1	38	-2.0	-117.41	339.82	3.58	-113.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006566301	1	38	-2.0	-118.79	339.89	3.81	-114.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=NN2C)C=C1	REAL300006566350	1	40	-2.0	-126.39	362.28	8.74	-117.65
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006566800	1	41	-2.0	-96.12	366.31	2.04	-94.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)O1	REAL300006566801	1	32	-2.0	-95.75	310.86	-0.38	-96.13
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=C1	REAL300006567034	0	42	-2.0	-124.87	374.22	1.82	-123.05
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006567079	0	35	-2.0	-117.34	318.43	2.91	-114.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=NN2C)=CS1	REAL300006567454	1	39	-2.0	-122.84	352.66	4.03	-118.81
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006567688	0	35	-2.0	-109.51	324.84	2.97	-106.54
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006567694	1	41	-2.0	-124.48	362.58	4.17	-120.31
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1C	REAL300006567699	1	41	-2.0	-119.31	361.39	4.60	-114.71
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006567769	1	41	-2.0	-100.00	343.25	4.41	-95.59
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006568498	0	41	-2.0	-123.10	364.31	5.17	-117.93
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006568690	1	31	-2.0	-119.84	294.56	6.27	-113.57
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006568788	0	34	-2.0	-104.34	319.48	1.94	-102.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006568818	1	33	-2.0	-99.48	297.31	3.35	-96.13
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)=C1	REAL300006568873	0	44	-2.0	-127.12	379.07	6.97	-120.15
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)C=C1	REAL300006568874	0	44	-2.0	-126.42	379.00	6.97	-119.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=N1	REAL300006568948	0	38	-2.0	-123.86	341.13	6.05	-117.81
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006568952	0	35	-2.0	-125.49	325.22	5.12	-120.37
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006568976	0	33	-2.0	-127.82	298.38	5.89	-121.93
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006568995	0	35	-2.0	-102.35	340.70	3.25	-99.10
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006569044	0	27	-2.0	-103.54	279.94	2.96	-100.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)=C1	REAL300006569106	0	38	-2.0	-131.24	343.56	5.70	-125.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2C)=N1	REAL300006569107	0	41	-2.0	-129.09	353.09	6.84	-122.25
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006569164	1	41	-2.0	-123.17	362.77	4.16	-119.01
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006569204	0	28	-2.0	-100.54	280.24	4.40	-96.14
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C)=CC(Cl)=C1[O-]	REAL300006569316	1	35	-2.0	-104.04	325.08	5.38	-98.66
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006569320	0	38	-2.0	-129.00	348.71	6.48	-122.52
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3C)=N2)C=C1	REAL300006569328	0	39	-2.0	-126.44	348.29	4.35	-122.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2C)=CO1	REAL300006569349	1	32	-2.0	-111.45	310.01	-0.41	-111.86
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300006569419	0	36	-2.0	-110.74	322.44	8.27	-102.47
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300006569419	1	36	-2.0	-110.68	322.49	8.28	-102.40
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006569475	0	31	-2.0	-94.27	293.84	2.49	-91.78
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006569475	1	31	-2.0	-94.30	293.77	2.48	-91.82
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]1	REAL300006569741	1	33	-2.0	-99.32	299.15	1.01	-98.31
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006569778	1	36	-2.0	-99.42	313.06	3.90	-95.52
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006570034	0	28	-2.0	-114.91	288.64	6.31	-108.60
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006570291	0	36	-2.0	-103.15	323.05	3.49	-99.66
CC1=C(CCC(=O)NC2(C(=O)[O-])CC(O)C2)C(=O)NC(N2CCOCC2)=N1	REAL300006570724	0	49	-2.0	-121.87	394.68	3.09	-118.78
CC1=C(CCC(=O)NC2(C(=O)[O-])CC(O)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006570724	1	49	-2.0	-121.87	394.68	3.09	-118.78
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300006571253	1	41	-2.0	-131.77	358.69	5.70	-126.07
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC(O)C1	REAL300006571399	1	43	-2.0	-112.41	377.15	2.87	-109.54
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC(O)C1	REAL300006571400	1	43	-2.0	-116.85	375.49	2.77	-114.08
CC1=CC(C(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006571411	0	39	-2.0	-93.27	356.75	0.96	-92.31
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC(O)C1	REAL300006571594	0	40	-2.0	-110.81	369.10	1.87	-108.94
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(O)C2)O1	REAL300006571612	1	42	-2.0	-96.91	360.93	-0.88	-97.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC(O)C2)O1	REAL300006571613	1	33	-2.0	-95.76	307.34	-3.41	-99.17
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC(O)C1	REAL300006571838	0	40	-2.0	-114.95	367.43	1.77	-113.18
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC(O)C2)=CS1	REAL300006572090	1	40	-2.0	-120.90	349.05	0.94	-119.96
CC1=C(CC(=O)NC2(C(=O)[O-])CC(O)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006572266	1	42	-2.0	-131.03	359.02	1.13	-129.90
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC(O)C1	REAL300006572396	1	43	-2.0	-107.31	377.33	2.84	-104.47
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC(O)C1	REAL300006572930	1	32	-2.0	-129.27	292.77	2.99	-126.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC(O)C2)C=N1	REAL300006572998	0	35	-2.0	-109.38	316.60	-0.74	-110.12
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC(O)C1	REAL300006573044	1	42	-2.0	-103.56	372.37	1.07	-102.49
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(O)C3)=N2)=C1	REAL300006573058	0	45	-2.0	-143.68	375.91	4.35	-139.33
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC(O)C3)=N2)C=C1	REAL300006573059	0	45	-2.0	-142.34	375.84	4.35	-137.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC(O)C2)=N1	REAL300006573105	0	39	-2.0	-138.70	343.39	3.46	-135.24
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC(O)C1	REAL300006573109	0	36	-2.0	-139.76	322.05	2.50	-137.26
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC(O)C1	REAL300006573125	1	34	-2.0	-138.01	294.83	2.50	-135.51
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC(O)C1	REAL300006573141	0	36	-2.0	-100.71	337.03	0.20	-100.51
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CC(O)C1	REAL300006573173	0	28	-2.0	-103.98	276.27	-0.06	-104.04
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CC1=C(CC(=O)NC2(C(=O)[O-])CC(O)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006573235	1	42	-2.0	-129.71	359.20	1.12	-128.59
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CCOC1=CC(C(=O)NC2(C(=O)[O-])CC(O)C2)=CC(Cl)=C1[O-]	REAL300006573322	1	36	-2.0	-108.55	323.26	2.44	-106.11
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC(O)C1	REAL300006573325	0	39	-2.0	-147.10	345.54	3.86	-143.24
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C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC(O)C2)=CO1	REAL300006573339	1	33	-2.0	-112.37	308.18	-3.32	-115.69
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O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(O)C1	REAL300006573434	1	32	-2.0	-91.34	290.30	-0.55	-91.89
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300006575215	1	41	-2.0	-109.81	378.00	3.03	-106.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300006575393	0	44	-2.0	-119.91	385.57	6.34	-113.57
CC1=C(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006575880	1	50	-2.0	-119.62	409.65	7.82	-111.80
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O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=CC=C2C=C1	REAL300006576826	1	40	-2.0	-121.03	361.71	9.82	-111.21
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300006576954	0	43	-2.0	-114.39	386.62	5.35	-109.04
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O=C([O-])C1=CC2=C(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=CC=C2C=C1	REAL300006577433	0	37	-2.0	-107.29	347.38	7.83	-99.46
COC1=C(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)NC(=O)[N-]C1=O	REAL300006577452	1	40	-2.0	-109.63	353.53	2.90	-106.73
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300006577544	0	40	-2.0	-111.00	350.33	6.12	-104.88
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300006577544	1	40	-2.0	-111.01	350.38	6.14	-104.87
O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C([O-])C(Cl)=C3)C=CC=C2C=C1	REAL300006577577	0	37	-2.0	-107.61	341.18	7.77	-99.84
CCOC1=CC(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1[O-]	REAL300006577580	1	44	-2.0	-112.34	392.23	8.81	-103.53
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CO1	REAL300006577611	1	41	-2.0	-111.93	377.14	3.02	-108.91
O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=CC=C2C=C1	REAL300006577759	0	40	-2.0	-102.06	360.91	5.91	-96.15
O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=CC=C2C=C1	REAL300006577759	1	40	-2.0	-102.00	360.98	5.92	-96.08
O=C([O-])C1=CC2=C(CNC(=O)C3=C[N-]N=CC3=O)C=CC=C2C=C1	REAL300006578011	0	35	-2.0	-107.73	312.43	5.81	-101.92
COCC1=NC=C(C(=O)NCC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]1	REAL300006578042	1	42	-2.0	-117.22	366.27	4.43	-112.79
O=C([O-])C1=CC2=C(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=CC=C2C=C1	REAL300006578084	1	45	-2.0	-118.39	380.18	7.32	-111.07
O=C([O-])C1=CC2=C(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=CC=C2C=C1	REAL300006578367	0	37	-2.0	-117.33	355.77	9.86	-107.47
O=C([O-])C1=CN=C2CC(CNC(=O)C3=N[N-]C4=CC=CC=C4C3=O)CCN12	REAL300006579266	0	42	-2.0	-96.31	359.17	7.02	-89.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)O1	REAL300006580015	1	42	-2.0	-94.23	375.44	1.02	-93.21
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CCN2C(C(=O)[O-])=CN=C2C1	REAL300006580205	0	45	-2.0	-99.04	382.98	4.34	-94.70
CC1=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006580737	1	51	-2.0	-93.47	407.16	5.84	-87.63
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C([O-])C(F)=C3)CCN12	REAL300006581734	1	38	-2.0	-96.23	328.79	5.27	-90.96
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CCN12	REAL300006581747	1	41	-2.0	-98.57	359.13	7.82	-90.75
O=C([O-])C1=CN=C2CC(CNC(=O)CCC3=N[N-]N=N3)CCN12	REAL300006581803	0	38	-2.0	-91.54	326.23	3.34	-88.20
O=C([O-])C1=CN=C2CC(CNC(=O)CCC3=NN=N[N-]3)CCN12	REAL300006581803	1	38	-2.0	-91.52	326.29	3.35	-88.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C=N1	REAL300006581883	0	44	-2.0	-97.30	384.02	3.37	-93.93
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)CCN12	REAL300006581914	1	43	-2.0	-92.52	361.84	4.77	-87.75
O=C([O-])C1=CN=C2CC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CCN12	REAL300006582065	0	45	-2.0	-106.65	389.77	6.55	-100.10
O=C([O-])C1=CN=C2CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCN12	REAL300006582111	1	43	-2.0	-106.00	362.92	7.43	-98.57
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCN12	REAL300006582399	0	38	-2.0	-92.39	344.80	5.82	-86.57
COC1=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)NC(=O)[N-]C1=O	REAL300006582418	1	41	-2.0	-95.92	350.95	0.91	-95.01
O=C([O-])C1=CN=C2CC(CNC(=O)CCCC3=N[N-]N=N3)CCN12	REAL300006582514	0	41	-2.0	-97.34	347.73	4.12	-93.22
O=C([O-])C1=CN=C2CC(CNC(=O)CCCC3=NN=N[N-]3)CCN12	REAL300006582514	1	41	-2.0	-97.34	347.79	4.13	-93.21
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)CCN12	REAL300006582549	0	38	-2.0	-92.28	338.58	5.76	-86.52
CCOC1=CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)=CC(Cl)=C1[O-]	REAL300006582553	1	45	-2.0	-96.03	389.64	6.80	-89.23
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)=CO1	REAL300006582586	1	42	-2.0	-97.83	374.56	1.01	-96.82
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCN12	REAL300006582746	0	41	-2.0	-88.71	358.35	3.91	-84.80
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN12	REAL300006582746	1	41	-2.0	-88.73	358.41	3.91	-84.82
O=C([O-])C1=CN=C2CC(CNC(=O)C3=C[N-]N=CC3=O)CCN12	REAL300006583023	0	36	-2.0	-84.17	309.86	3.82	-80.35
COCC1=NC=C(C(=O)NCC2CCN3C(C(=O)[O-])=CN=C3C2)C(=O)[N-]1	REAL300006583056	1	43	-2.0	-91.86	363.68	2.42	-89.44
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCN12	REAL300006583104	1	46	-2.0	-92.46	377.59	5.32	-87.14
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCN12	REAL300006583406	0	38	-2.0	-94.85	353.21	7.85	-87.00
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300006584540	0	43	-2.0	-102.27	389.40	3.51	-98.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(C)=C(C(=O)[O-])S1	REAL300006584789	0	43	-2.0	-103.36	389.47	3.73	-99.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300006585169	1	37	-2.0	-88.11	360.44	-0.47	-88.58
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=N1	REAL300006585382	0	40	-2.0	-101.97	368.00	2.83	-99.14
CC1=C(C(=O)[O-])SC(CCNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=N1	REAL300006585692	1	44	-2.0	-104.03	402.18	3.93	-100.10
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=N1	REAL300006585977	1	46	-2.0	-89.32	392.09	4.32	-85.00
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C([O-])C(F)=C2)=N1	REAL300006586995	1	33	-2.0	-92.88	313.81	3.75	-89.13
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300006587008	1	36	-2.0	-103.07	344.15	6.31	-96.76
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300006587054	0	33	-2.0	-90.52	311.26	1.83	-88.69
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300006587054	1	33	-2.0	-90.50	311.32	1.84	-88.66
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=N1	REAL300006587136	0	39	-2.0	-94.04	369.05	1.86	-92.18
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300006587171	1	38	-2.0	-88.70	346.87	3.26	-85.44
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN=CC([O-])=C2)=N1	REAL300006587213	1	32	-2.0	-96.27	302.65	1.88	-94.39
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300006587327	0	40	-2.0	-110.16	374.80	5.05	-105.11
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300006587373	1	38	-2.0	-110.13	347.95	5.93	-104.20
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300006587663	0	33	-2.0	-90.97	329.82	4.31	-86.66
COC1=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300006587681	1	36	-2.0	-92.89	335.97	-0.60	-93.49
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL300006587780	0	36	-2.0	-99.76	332.76	2.61	-97.15
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300006587780	1	36	-2.0	-99.80	332.82	2.62	-97.18
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300006587817	0	33	-2.0	-89.71	323.61	4.25	-85.46
CCOC1=CC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300006587820	1	40	-2.0	-93.88	374.66	5.28	-88.60
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)=CO1	REAL300006587853	1	37	-2.0	-98.71	359.58	-0.50	-99.21
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300006588019	0	36	-2.0	-85.03	343.36	2.40	-82.63
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300006588019	1	36	-2.0	-84.96	343.42	2.41	-82.55
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C[N-]N=CC2=O)=N1	REAL300006588306	0	31	-2.0	-81.42	294.87	2.31	-79.11
COCC1=NC=C(C(=O)NCCC2=NC(C)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300006588340	1	38	-2.0	-88.37	348.71	0.91	-87.46
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300006588389	1	41	-2.0	-88.68	362.62	3.81	-84.87
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300006588704	0	33	-2.0	-98.55	338.21	6.34	-92.21
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=N1	REAL300006589005	0	41	-2.0	-92.59	372.32	3.41	-89.18
CC1=C(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)NC(N2CCOCC2)=N1	REAL300006589563	0	54	-2.0	-99.79	419.90	6.65	-93.14
CC1=C(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006589563	1	54	-2.0	-99.79	419.90	6.65	-93.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006589916	0	44	-2.0	-98.09	363.69	4.48	-93.61
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006590228	0	44	-2.0	-99.07	363.77	4.71	-94.36
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300006590278	1	46	-2.0	-107.56	386.09	9.63	-97.93
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300006590730	1	47	-2.0	-90.95	386.81	3.01	-87.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300006590731	1	38	-2.0	-90.60	333.19	0.47	-90.13
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300006590962	0	48	-2.0	-103.85	397.08	2.66	-101.19
CC1(C)[C@H](NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@@H]1C(=O)[O-]	REAL300006591008	0	41	-2.0	-97.44	340.73	3.78	-93.66
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CS1	REAL300006591382	1	45	-2.0	-97.33	376.44	4.91	-92.42
CC1(C)[C@H](NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@@H]1C(=O)[O-]	REAL300006591617	0	41	-2.0	-92.06	347.09	3.84	-88.22
CC1=C(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006591622	1	47	-2.0	-101.89	387.31	5.11	-96.78
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300006591626	0	47	-2.0	-99.52	385.27	5.49	-94.03
CC1=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006591697	1	47	-2.0	-98.12	366.64	5.32	-92.80
CC1(C)[C@H](NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C[C@@H]1C(=O)[O-]	REAL300006592447	0	47	-2.0	-102.24	386.57	6.04	-96.20
CC1(C)[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H]1C(=O)[O-]	REAL300006592642	1	37	-2.0	-97.60	316.86	7.25	-90.35
CC1(C)[C@H](NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@@H]1C(=O)[O-]	REAL300006592741	0	40	-2.0	-94.50	343.25	2.85	-91.65
CC1(C)[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1C(=O)[O-]	REAL300006592772	1	39	-2.0	-96.91	319.35	4.26	-92.65
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=N2)=C1	REAL300006592826	0	50	-2.0	-111.55	401.27	7.86	-103.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=N2)C=C1	REAL300006592827	0	50	-2.0	-109.98	401.46	7.85	-102.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300006592903	0	44	-2.0	-106.67	369.00	6.95	-99.72
CC1(C)[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H]1C(=O)[O-]	REAL300006592908	0	41	-2.0	-109.76	347.68	6.00	-103.76
CC1(C)[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1C(=O)[O-]	REAL300006592932	1	39	-2.0	-109.61	320.66	6.86	-102.75
CC1(C)[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300006592952	0	41	-2.0	-84.02	364.50	4.14	-79.88
CC1(C)[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)C[C@@H]1C(=O)[O-]	REAL300006593001	0	33	-2.0	-87.38	303.74	3.87	-83.51
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=N2)=C1	REAL300006593064	0	44	-2.0	-114.14	366.02	6.59	-107.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300006593065	0	47	-2.0	-112.70	382.25	7.68	-105.02
CC1=C(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006593125	1	47	-2.0	-100.35	386.58	5.06	-95.29
CC1(C)[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300006593168	0	34	-2.0	-87.71	304.05	5.31	-82.40
COC1=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)NC(=O)[N-]C1=O	REAL300006593176	1	37	-2.0	-89.98	308.52	0.33	-89.65
CCOC1=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC(Cl)=C1[O-]	REAL300006593283	1	41	-2.0	-92.06	348.89	6.29	-85.77
CC1(C)[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@@H]1C(=O)[O-]	REAL300006593287	0	44	-2.0	-115.45	371.17	7.37	-108.08
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=N2)C=C1	REAL300006593295	0	45	-2.0	-110.14	370.75	5.23	-104.91
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CO1	REAL300006593315	1	38	-2.0	-92.14	333.89	0.48	-91.66
CC1(C)[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C(=O)[O-]	REAL300006593446	0	37	-2.0	-84.20	316.10	3.35	-80.85
CC1(C)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C(=O)[O-]	REAL300006593446	1	37	-2.0	-84.16	316.17	3.36	-80.80
COCC1=NC=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]1	REAL300006593718	1	39	-2.0	-95.48	321.45	1.86	-93.62
CC1(C)[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H]1C(=O)[O-]	REAL300006593757	1	42	-2.0	-96.44	335.21	4.82	-91.62
CC1(C)[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H]1C(=O)[O-]	REAL300006594018	0	34	-2.0	-94.31	310.94	7.28	-87.03
CC1=C(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006594279	0	42	-2.0	-101.06	346.50	4.39	-96.67
CC1=C(CCC(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300006594734	0	51	-2.0	-106.33	406.79	5.96	-100.37
CC1=C(CCC(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006594734	1	51	-2.0	-106.33	406.79	5.96	-100.37
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300006595082	0	41	-2.0	-111.53	348.90	3.77	-107.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006595392	0	41	-2.0	-112.75	348.98	3.99	-108.76
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300006595438	1	43	-2.0	-117.51	371.01	8.91	-108.60
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300006595620	1	45	-2.0	-102.16	388.11	6.00	-96.16
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300006595621	1	45	-2.0	-110.27	388.29	5.98	-104.29
CC1=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006595634	0	41	-2.0	-87.93	369.54	4.18	-83.75
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300006595866	0	42	-2.0	-106.44	380.04	5.00	-101.44
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300006595884	1	44	-2.0	-91.55	375.41	2.20	-89.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300006595885	1	35	-2.0	-92.40	320.99	-0.18	-92.58
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300006596125	0	45	-2.0	-104.89	380.48	2.57	-102.32
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300006596171	0	38	-2.0	-111.17	327.51	3.09	-108.08
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300006596179	0	42	-2.0	-108.72	380.22	4.99	-103.73
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC(C)(C(=O)[O-])C2)=CS1	REAL300006596531	1	42	-2.0	-113.98	361.73	4.20	-109.78
CC1(C(=O)[O-])CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300006596739	0	38	-2.0	-93.85	330.65	3.71	-90.14
CC1=C(CC(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006596746	1	44	-2.0	-118.97	372.60	4.40	-114.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300006596751	0	44	-2.0	-113.28	370.48	4.78	-108.50
CC1=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006596813	1	44	-2.0	-97.87	351.60	4.60	-93.27
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300006596912	1	45	-2.0	-99.86	388.27	5.97	-93.89
CC1(C(=O)[O-])CC(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300006597461	0	44	-2.0	-106.09	370.94	6.04	-100.05
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006597630	1	34	-2.0	-114.27	303.66	6.55	-107.72
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300006597717	0	37	-2.0	-99.12	328.61	2.13	-96.99
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300006597778	1	44	-2.0	-90.55	380.01	4.74	-85.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC(C)(C(=O)[O-])C3)=N2)=C1	REAL300006597793	0	47	-2.0	-123.67	388.17	7.18	-116.49
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300006597794	0	47	-2.0	-122.82	388.09	7.18	-115.64
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC(C)(C(=O)[O-])C2)=N1	REAL300006597863	0	41	-2.0	-120.08	355.63	6.28	-113.80
CC1(C(=O)[O-])CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006597867	0	38	-2.0	-121.31	334.31	5.33	-115.98
CC1(C(=O)[O-])CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006597888	1	36	-2.0	-123.91	307.47	6.18	-117.73
CC1(C(=O)[O-])CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006597906	0	38	-2.0	-95.38	349.83	3.43	-91.95
CC1(C(=O)[O-])CC(NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006597944	0	30	-2.0	-97.53	289.07	3.15	-94.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC(C)(C(=O)[O-])C3)=N2)=C1	REAL300006597993	0	41	-2.0	-127.55	352.65	5.91	-121.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC(C)(C(=O)[O-])C2)=N1	REAL300006597994	0	44	-2.0	-125.72	369.16	6.99	-118.73
CC1=C(CC(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006598035	1	44	-2.0	-117.47	371.87	4.34	-113.13
CC1(C(=O)[O-])CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006598067	0	31	-2.0	-95.31	289.38	4.60	-90.71
CCOC1=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006598151	1	38	-2.0	-98.61	334.22	5.57	-93.04
CC1(C(=O)[O-])CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006598155	0	41	-2.0	-125.85	357.80	6.70	-119.15
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300006598162	0	42	-2.0	-122.83	357.38	4.56	-118.27
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC(C)(C(=O)[O-])C2)=CO1	REAL300006598179	1	35	-2.0	-103.61	319.14	-0.22	-103.83
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006598299	0	34	-2.0	-88.10	302.87	2.67	-85.43
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006598299	1	34	-2.0	-88.08	302.94	2.67	-85.41
CC1(C(=O)[O-])CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006598559	1	39	-2.0	-97.36	322.19	4.09	-93.27
CC1(C(=O)[O-])CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006598762	0	31	-2.0	-95.12	298.75	6.63	-88.49
CC1=C(C(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006598985	0	39	-2.0	-101.00	331.83	3.67	-97.33
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CC=C([O-])C(F)=C3)=C2)=C1	REAL300006601010	1	41	-2.0	-97.11	362.80	8.60	-88.51
O=C([O-])C1=CC(C2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300006601076	0	41	-2.0	-93.25	360.25	6.66	-86.59
O=C([O-])C1=CC(C2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300006601076	1	41	-2.0	-93.31	360.31	6.67	-86.64
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)=C1	REAL300006601143	1	46	-2.0	-94.65	395.61	8.15	-86.50
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CN=CC([O-])=C3)=C2)=C1	REAL300006601158	1	40	-2.0	-97.43	351.64	6.72	-90.71
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=C2)=C1	REAL300006601252	1	46	-2.0	-107.99	396.94	10.75	-97.24
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=C2)=C1	REAL300006601450	0	41	-2.0	-94.21	378.81	9.14	-85.07
COC1=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)NC(=O)[N-]C1=O	REAL300006601468	1	44	-2.0	-97.72	384.95	4.24	-93.48
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300006601535	0	44	-2.0	-98.73	381.75	7.44	-91.29
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300006601535	1	44	-2.0	-98.75	381.81	7.46	-91.29
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)=C2)=C1	REAL300006601560	0	41	-2.0	-93.46	372.60	9.08	-84.38
O=C([O-])C1=CC=CC(C2=CC=CC(CNC(=O)C3=C[N-]N=CC3=O)=C2)=C1	REAL300006601829	0	39	-2.0	-86.19	343.86	7.13	-79.06
COCC1=NC=C(C(=O)NCC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(=O)[N-]1	REAL300006601849	1	46	-2.0	-93.64	397.70	5.73	-87.91
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)=C1	REAL300006602995	0	49	-2.0	-105.36	400.63	4.23	-101.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006603243	0	49	-2.0	-105.77	400.71	4.45	-101.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)O1	REAL300006603627	1	43	-2.0	-103.85	371.69	0.25	-103.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006603843	0	46	-2.0	-104.41	379.25	3.56	-100.85
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC23CCOCC3)=CS1	REAL300006604155	1	50	-2.0	-98.25	413.44	4.67	-93.58
CC1=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006604439	1	52	-2.0	-120.30	403.60	5.04	-115.26
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(F)=C2)CC12CCOCC2	REAL300006605465	1	39	-2.0	-99.04	325.05	4.49	-94.55
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCOCC2	REAL300006605478	1	42	-2.0	-102.70	354.26	6.91	-95.79
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605520	0	39	-2.0	-92.14	324.85	2.54	-89.60
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006605520	1	39	-2.0	-92.13	324.91	2.55	-89.58
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C=N1	REAL300006605603	0	45	-2.0	-106.00	380.29	2.58	-103.42
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCOCC2	REAL300006605638	1	44	-2.0	-117.85	358.10	4.00	-113.85
O=C([O-])C1(CNC(=O)C2=CN=CC([O-])=C2)CC12CCOCC2	REAL300006605680	1	38	-2.0	-96.55	313.90	2.61	-93.94
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCOCC2	REAL300006605793	0	46	-2.0	-117.77	384.89	5.67	-112.10
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCOCC2	REAL300006605839	1	44	-2.0	-121.42	361.54	6.65	-114.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)=N1	REAL300006605998	0	52	-2.0	-124.83	419.74	7.33	-117.50
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300006606130	0	39	-2.0	-93.68	341.07	5.06	-88.62
COC1=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)NC(=O)[N-]C1=O	REAL300006606148	1	42	-2.0	-96.72	345.90	0.00	-96.72
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006606247	0	42	-2.0	-93.23	344.00	3.35	-89.88
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300006606247	1	42	-2.0	-93.24	344.06	3.36	-89.88
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300006606285	0	39	-2.0	-95.73	334.85	4.97	-90.76
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)=CC(Cl)=C1[O-]	REAL300006606288	1	46	-2.0	-100.20	385.91	6.03	-94.17
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)=CO1	REAL300006606320	1	43	-2.0	-92.66	370.83	0.24	-92.42
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300006606486	0	42	-2.0	-91.99	354.60	3.13	-88.86
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300006606486	1	42	-2.0	-92.01	354.66	3.14	-88.87
O=C([O-])C1(CNC(=O)C2=C[N-]N=CC2=O)CC12CCOCC2	REAL300006606774	0	37	-2.0	-100.16	308.03	3.00	-97.16
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CC23CCOCC3)C(=O)[N-]1	REAL300006606809	1	44	-2.0	-115.86	359.94	1.64	-114.22
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCOCC2	REAL300006606858	1	47	-2.0	-118.01	373.85	4.55	-113.46
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300006607178	0	39	-2.0	-101.11	348.33	6.95	-94.16
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=C1	REAL300006608398	0	49	-2.0	-105.15	395.27	5.11	-100.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006608707	0	49	-2.0	-105.68	394.95	5.33	-100.35
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300006608754	1	51	-2.0	-114.19	413.65	10.43	-103.76
CC(C)(C)CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006609190	1	52	-2.0	-100.66	421.76	3.52	-97.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])O1	REAL300006609191	1	43	-2.0	-98.54	363.36	1.28	-97.26
CC(C)(C)CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006609464	0	46	-2.0	-105.15	372.15	4.56	-100.59
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC(C)(C)C)C(=O)[O-])=CS1	REAL300006609815	1	50	-2.0	-102.97	408.07	5.53	-97.44
CC(C)(C)CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006610053	0	46	-2.0	-99.11	381.10	4.49	-94.62
CC1=C(CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006610056	1	52	-2.0	-105.90	415.95	5.89	-100.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(C)(C)C)C(=O)[O-]	REAL300006610059	0	52	-2.0	-106.25	416.45	6.11	-100.14
CC1=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006610140	1	52	-2.0	-114.30	397.75	5.91	-108.39
CC(C)(C)CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006611173	1	42	-2.0	-104.92	347.06	8.06	-96.86
CC(C)(C)CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006611281	0	45	-2.0	-102.77	373.19	3.58	-99.19
CC(C)(C)CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300006611315	1	44	-2.0	-112.10	349.16	5.03	-107.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N2)=C1	REAL300006611374	0	55	-2.0	-124.40	436.34	8.56	-115.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N2)C=C1	REAL300006611375	0	55	-2.0	-121.22	434.44	8.50	-112.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N1	REAL300006611466	0	49	-2.0	-117.35	402.07	7.62	-109.73
CC(C)(C)CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006611471	0	46	-2.0	-117.54	382.49	6.70	-110.84
CC(C)(C)CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006611503	1	44	-2.0	-122.07	353.44	7.52	-114.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N2)=C1	REAL300006611662	0	49	-2.0	-125.00	399.00	7.24	-117.76
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N1	REAL300006611663	0	52	-2.0	-123.69	415.96	8.30	-115.39
CC1=C(CC(=O)NCC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006611734	1	52	-2.0	-103.99	415.23	5.84	-98.15
CC(C)(C)CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006611786	0	39	-2.0	-92.94	335.67	5.92	-87.02
COC1=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006611799	1	42	-2.0	-95.25	341.49	0.98	-94.27
CC(C)(C)CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006611928	0	39	-2.0	-93.28	331.30	5.89	-87.39
CCOC1=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006611931	1	46	-2.0	-98.18	377.57	7.05	-91.13
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=N2)C=C1	REAL300006611943	0	50	-2.0	-121.45	405.56	5.94	-115.51
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC(C)(C)C)C(=O)[O-])=CO1	REAL300006611966	1	43	-2.0	-93.53	365.46	1.10	-92.43
CC(C)(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006612122	0	42	-2.0	-89.71	350.05	4.00	-85.71
CC(C)(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006612122	1	42	-2.0	-89.70	350.12	4.01	-85.69
COCC1=NC=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]1	REAL300006612439	1	44	-2.0	-110.71	354.09	2.50	-108.21
CC(C)(C)CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006612483	1	47	-2.0	-112.94	368.18	5.41	-107.53
CC(C)(C)CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006612785	0	39	-2.0	-102.32	341.12	8.10	-94.22
CC1=C(C(=O)NCC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006613084	0	47	-2.0	-117.04	377.86	5.00	-112.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300006614498	1	42	-2.0	-111.90	376.60	2.84	-109.06
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300006614690	0	45	-2.0	-103.65	380.57	6.03	-97.62
CC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006615242	1	51	-2.0	-118.19	405.97	7.55	-110.64
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300006616243	1	38	-2.0	-104.04	330.00	7.09	-96.95
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006616256	1	41	-2.0	-106.69	360.40	9.62	-97.07
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300006616310	0	38	-2.0	-99.69	327.54	5.15	-94.54
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300006616310	1	38	-2.0	-99.72	327.60	5.16	-94.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300006616391	0	44	-2.0	-112.41	385.25	5.19	-107.22
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006616422	1	43	-2.0	-119.38	362.33	6.65	-112.73
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CN=CC([O-])=C2)C1	REAL300006616462	1	37	-2.0	-103.49	318.87	5.19	-98.30
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006616577	0	45	-2.0	-114.90	387.27	8.21	-106.69
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006616623	1	43	-2.0	-118.09	360.54	9.12	-108.97
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006616910	0	38	-2.0	-101.49	346.03	7.65	-93.84
COC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006616928	1	41	-2.0	-101.55	348.10	2.58	-98.97
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL300006617026	0	41	-2.0	-96.56	345.43	5.81	-90.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL300006617026	1	41	-2.0	-96.58	345.49	5.82	-90.76
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300006617062	0	38	-2.0	-101.27	339.78	7.57	-93.70
CCOC1=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006617066	1	45	-2.0	-107.25	390.95	8.62	-98.63
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CO1	REAL300006617099	1	42	-2.0	-101.27	375.77	2.83	-98.44
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006617262	0	41	-2.0	-95.28	355.91	5.61	-89.67
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006617262	1	41	-2.0	-95.24	355.98	5.61	-89.63
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300006617544	0	36	-2.0	-106.73	311.04	5.65	-101.08
COCC1=NC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(=O)[N-]1	REAL300006617578	1	43	-2.0	-117.10	364.43	4.24	-112.86
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006617626	1	46	-2.0	-115.00	374.92	6.90	-108.10
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006617931	0	38	-2.0	-104.73	354.43	9.65	-95.08
O=C([O-])C1(CNC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC2CCC1C2	REAL300006619248	0	42	-2.0	-115.30	338.60	7.55	-107.75
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300006619466	0	48	-2.0	-108.42	383.90	5.54	-102.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006619765	0	48	-2.0	-109.03	383.87	5.77	-103.26
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)O1	REAL300006620223	1	51	-2.0	-105.33	409.60	4.00	-101.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)O1	REAL300006620224	1	42	-2.0	-103.85	354.83	1.56	-102.29
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006620485	0	45	-2.0	-107.67	362.41	4.87	-102.80
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC3CCC2C3)=CS1	REAL300006620825	1	49	-2.0	-105.77	396.71	5.96	-99.81
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006621055	0	45	-2.0	-102.65	368.92	4.93	-97.72
CC1=C(CC(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006621057	1	51	-2.0	-118.13	407.55	6.16	-111.97
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006621060	0	51	-2.0	-109.54	405.37	6.56	-102.98
CC1=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006621143	1	51	-2.0	-120.74	386.71	6.36	-114.38
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(F)=C2)CC2CCC1C2	REAL300006622201	1	38	-2.0	-100.63	308.22	5.80	-94.83
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2CCC1C2	REAL300006622213	1	41	-2.0	-107.76	338.54	8.35	-99.41
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300006622319	0	44	-2.0	-106.69	363.45	3.90	-102.79
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2CCC1C2	REAL300006622354	1	43	-2.0	-118.00	341.10	5.31	-112.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)=N2)=C1	REAL300006622412	0	54	-2.0	-128.37	423.05	8.96	-119.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)=N2)C=C1	REAL300006622413	0	54	-2.0	-125.49	422.99	8.96	-116.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300006622509	0	48	-2.0	-121.46	389.87	8.07	-113.39
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2CCC1C2	REAL300006622514	0	45	-2.0	-121.17	369.20	7.10	-114.07
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2CCC1C2	REAL300006622556	1	43	-2.0	-126.49	342.46	7.96	-118.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)=N2)=C1	REAL300006622721	0	48	-2.0	-129.19	387.53	7.69	-121.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300006622722	0	51	-2.0	-128.05	403.87	8.78	-119.27
CC1=C(CC(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006622799	1	51	-2.0	-116.79	406.83	6.11	-110.68
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2CCC1C2	REAL300006622861	0	38	-2.0	-95.87	324.22	6.36	-89.51
COC1=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)NC(=O)[N-]C1=O	REAL300006622878	1	41	-2.0	-99.29	330.17	1.43	-97.86
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006622977	0	41	-2.0	-97.39	327.27	4.64	-92.75
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1C2	REAL300006622977	1	41	-2.0	-97.42	327.33	4.65	-92.77
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CC2CCC1C2	REAL300006623014	0	38	-2.0	-97.51	318.01	6.29	-91.22
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=CC(Cl)=C1[O-]	REAL300006623018	1	45	-2.0	-101.90	369.07	7.33	-94.57
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4CCC3C4)=N2)C=C1	REAL300006623028	0	49	-2.0	-125.22	392.25	6.34	-118.88
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)=CO1	REAL300006623052	1	42	-2.0	-95.64	354.09	1.54	-94.10
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CCC1C2	REAL300006623218	0	41	-2.0	-93.59	337.86	4.42	-89.17
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2CCC1C2	REAL300006623218	1	41	-2.0	-93.50	337.93	4.43	-89.07
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2C3)C(=O)[N-]1	REAL300006623553	1	43	-2.0	-116.29	342.94	2.96	-113.33
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC2CCC1C2	REAL300006623601	1	46	-2.0	-118.25	356.85	5.86	-112.39
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2CCC1C2	REAL300006623923	0	38	-2.0	-105.48	332.62	8.39	-97.09
O=C([O-])C1CCN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2(CC2)C1	REAL300006624885	0	39	-2.0	-99.63	320.54	8.32	-91.31
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])CC23CC3)C=C1	REAL300006625363	1	47	-2.0	-110.73	391.00	11.36	-99.37
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)O1	REAL300006625724	1	48	-2.0	-93.15	390.82	4.53	-88.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)O1	REAL300006625725	1	39	-2.0	-92.17	335.37	2.12	-90.05
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])CC23CC3)=CS1	REAL300006626223	1	46	-2.0	-96.37	381.08	6.62	-89.75
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC23CC3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006626417	1	48	-2.0	-101.75	391.58	6.81	-94.94
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2(CC2)C1	REAL300006627287	1	38	-2.0	-103.15	324.87	7.49	-95.66
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C=N1	REAL300006627371	0	41	-2.0	-95.51	348.33	4.14	-91.37
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2(CC2)C1	REAL300006627392	1	40	-2.0	-95.27	324.22	5.42	-89.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC34CC4)=N2)=C1	REAL300006627443	0	51	-2.0	-112.84	404.36	9.81	-103.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC34CC4)=N2)C=C1	REAL300006627444	0	51	-2.0	-111.38	404.28	9.81	-101.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC23CC3)=N1	REAL300006627506	0	45	-2.0	-108.55	372.89	8.97	-99.58
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2(CC2)C1	REAL300006627511	0	42	-2.0	-108.72	350.51	7.96	-100.76
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2(CC2)C1	REAL300006627535	1	40	-2.0	-111.12	323.85	8.98	-102.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC34CC4)=N2)=C1	REAL300006627659	0	45	-2.0	-115.65	368.79	8.60	-107.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC23CC3)=N1	REAL300006627660	0	48	-2.0	-113.41	382.42	9.49	-103.92
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC23CC3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006627710	1	48	-2.0	-100.18	391.77	6.80	-93.38
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2(CC2)C1	REAL300006627753	0	35	-2.0	-89.49	308.85	6.67	-82.82
COC1=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)NC(=O)[N-]C1=O	REAL300006627760	1	38	-2.0	-90.83	321.32	0.70	-90.13
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2(CC2)C1	REAL300006627850	0	35	-2.0	-89.13	300.62	6.59	-82.54
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])CC23CC3)=CC(Cl)=C1[O-]	REAL300006627853	1	42	-2.0	-93.55	351.67	7.63	-85.92
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC34CC4)=N2)C=C1	REAL300006627861	0	46	-2.0	-111.82	374.21	7.26	-104.56
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])CC23CC3)=CO1	REAL300006627875	1	39	-2.0	-94.71	336.05	1.99	-92.72
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CC2)C1	REAL300006628003	0	38	-2.0	-85.29	318.52	5.57	-79.72
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CC2)C1	REAL300006628003	1	38	-2.0	-85.31	318.58	5.57	-79.74
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])CC23CC3)C(=O)[N-]1	REAL300006628249	1	40	-2.0	-94.33	326.63	3.12	-91.21
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2(CC2)C1	REAL300006628286	1	43	-2.0	-95.27	339.94	5.96	-89.31
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CC2)C1	REAL300006628512	0	35	-2.0	-98.64	318.02	7.52	-91.12
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300006630135	1	51	-2.0	-103.19	400.24	4.91	-98.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300006630136	1	42	-2.0	-101.09	346.99	2.53	-98.56
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CS1	REAL300006630606	1	49	-2.0	-115.98	387.35	6.70	-109.28
CC1=C(CC(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006630795	1	51	-2.0	-125.32	401.63	7.05	-118.27
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)CCC2	REAL300006631695	1	38	-2.0	-98.63	301.28	6.25	-92.38
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCC2	REAL300006631705	1	41	-2.0	-106.48	322.66	8.21	-98.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=N1	REAL300006631789	0	44	-2.0	-121.68	360.13	4.57	-117.11
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCC2	REAL300006631813	1	43	-2.0	-125.31	336.24	5.27	-120.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)=C1	REAL300006631863	0	54	-2.0	-140.03	415.31	10.15	-129.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)C=C1	REAL300006631864	0	54	-2.0	-142.93	416.11	10.15	-132.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)=N1	REAL300006631931	0	48	-2.0	-124.35	376.21	8.92	-115.43
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CCC2	REAL300006631936	0	45	-2.0	-140.53	362.32	8.30	-132.23
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCC2	REAL300006631966	1	43	-2.0	-140.91	336.88	8.78	-132.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)=C1	REAL300006632101	0	48	-2.0	-142.00	380.44	8.85	-133.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)=N1	REAL300006632102	0	51	-2.0	-129.26	391.39	9.68	-119.58
CC1=C(CC(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006632160	1	51	-2.0	-124.15	397.48	6.86	-117.29
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCC2	REAL300006632215	0	38	-2.0	-95.83	313.62	6.64	-89.19
COC1=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)NC(=O)[N-]C1=O	REAL300006632226	1	41	-2.0	-98.03	330.94	0.84	-97.19
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL300006632300	0	41	-2.0	-104.71	320.08	5.41	-99.30
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL300006632300	1	41	-2.0	-104.70	320.14	5.42	-99.28
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C([O-])C(Cl)=C1)CCC2	REAL300006632330	0	38	-2.0	-95.90	311.07	6.73	-89.17
CCOC1=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CC(Cl)=C1[O-]	REAL300006632334	1	45	-2.0	-100.74	358.46	7.62	-93.12
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)C=C1	REAL300006632340	0	49	-2.0	-142.59	385.39	7.54	-135.05
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CO1	REAL300006632355	1	42	-2.0	-102.30	340.89	1.92	-100.38
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCC2	REAL300006632492	0	41	-2.0	-91.55	325.28	5.69	-85.86
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCC2	REAL300006632492	1	41	-2.0	-91.57	325.35	5.69	-85.88
COCC1=NC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]1	REAL300006632750	1	43	-2.0	-115.65	341.60	3.17	-112.48
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCC2	REAL300006632792	1	46	-2.0	-106.33	358.09	6.26	-100.07
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCC2	REAL300006633032	0	38	-2.0	-104.79	327.51	8.08	-96.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CCC2(C(=O)[O-])CC3)C=C1	REAL300006634366	1	47	-2.0	-143.58	382.43	12.29	-131.29
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)O1	REAL300006634727	1	48	-2.0	-106.65	382.25	5.64	-101.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)O1	REAL300006634728	1	39	-2.0	-105.21	327.48	3.20	-102.01
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CCC2(C(=O)[O-])CC3)=CS1	REAL300006635226	1	46	-2.0	-137.40	373.08	7.58	-129.82
CC1=C(CC(=O)N2CC3CCC2(C(=O)[O-])CC3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006635420	1	48	-2.0	-143.66	383.01	7.76	-135.90
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006636290	1	38	-2.0	-135.46	316.21	9.04	-126.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C=N1	REAL300006636374	0	41	-2.0	-117.03	338.77	5.11	-111.92
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006636395	1	40	-2.0	-119.84	313.46	5.88	-113.96
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=N2)=C1	REAL300006636446	0	51	-2.0	-157.45	395.43	10.60	-146.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=N2)C=C1	REAL300006636447	0	51	-2.0	-156.87	395.52	10.67	-146.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=N1	REAL300006636509	0	45	-2.0	-153.26	361.86	9.69	-143.57
O=C([O-])C12CCC(CC1)CN2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006636514	0	42	-2.0	-155.18	341.58	8.76	-146.42
O=C([O-])C12CCC(CC1)CN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006636538	1	40	-2.0	-159.42	314.34	9.44	-149.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=N2)=C1	REAL300006636662	0	45	-2.0	-162.29	359.92	9.33	-152.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=N1	REAL300006636663	0	48	-2.0	-160.35	373.98	10.35	-150.00
CC1=C(CC(=O)N2CC3CCC2(C(=O)[O-])CC3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006636713	1	48	-2.0	-141.80	383.20	7.74	-134.06
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006636756	0	35	-2.0	-113.85	293.76	7.28	-106.57
COC1=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)NC(=O)[N-]C1=O	REAL300006636763	1	38	-2.0	-110.71	312.17	1.67	-109.04
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006636853	0	35	-2.0	-115.37	292.39	7.56	-107.81
CCOC1=CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=CC(Cl)=C1[O-]	REAL300006636856	1	42	-2.0	-117.48	346.53	8.49	-108.99
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CCC3(C(=O)[O-])CC4)=N2)C=C1	REAL300006636864	0	46	-2.0	-156.27	364.81	8.07	-148.20
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CCC2(C(=O)[O-])CC3)=CO1	REAL300006636878	1	39	-2.0	-123.44	323.57	2.84	-120.60
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006637006	0	38	-2.0	-103.02	309.77	6.52	-96.50
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006637006	1	38	-2.0	-102.98	309.84	6.54	-96.44
COCC1=NC=C(C(=O)N2CC3CCC2(C(=O)[O-])CC3)C(=O)[N-]1	REAL300006637252	1	40	-2.0	-117.41	312.29	3.11	-114.30
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006637289	1	43	-2.0	-138.15	335.19	7.62	-130.53
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006637515	0	35	-2.0	-137.43	308.16	8.30	-129.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])O1	REAL300006638956	1	42	-2.0	-105.38	358.91	4.87	-100.51
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006640357	1	38	-2.0	-110.30	312.64	8.64	-101.66
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006640369	1	41	-2.0	-130.14	343.20	10.40	-119.74
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300006640409	0	38	-2.0	-95.55	313.84	6.09	-89.46
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300006640409	1	38	-2.0	-95.52	313.90	6.10	-89.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C=N1	REAL300006640472	0	44	-2.0	-114.05	367.84	6.68	-107.37
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006640494	1	43	-2.0	-129.96	347.92	7.83	-122.13
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CN=CC([O-])=C1	REAL300006640527	1	37	-2.0	-115.54	301.50	6.47	-109.07
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006640611	0	45	-2.0	-147.60	373.24	10.61	-136.99
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006640642	1	43	-2.0	-150.68	346.72	11.01	-139.67
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006640876	0	38	-2.0	-107.51	328.33	8.86	-98.65
COC1=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300006640888	1	41	-2.0	-107.91	342.70	2.98	-104.93
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300006640965	0	41	-2.0	-108.14	335.34	6.87	-101.27
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300006640965	1	41	-2.0	-108.19	335.40	6.88	-101.31
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006640996	0	38	-2.0	-108.27	322.44	9.13	-99.14
CCOC1=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006641000	1	45	-2.0	-113.02	373.16	9.84	-103.18
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])=CO1	REAL300006641021	1	42	-2.0	-111.73	357.17	4.66	-107.07
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006641158	0	41	-2.0	-99.21	342.18	7.92	-91.29
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006641158	1	41	-2.0	-99.20	342.24	7.92	-91.28
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=C[N-]N=CC1=O	REAL300006641381	0	36	-2.0	-116.42	294.95	6.96	-109.46
COCC1=NC=C(C(=O)N2CC3=CC=CC=C3C[C@H]2CC(=O)[O-])C(=O)[N-]1	REAL300006641404	1	43	-2.0	-128.19	349.76	5.47	-122.72
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006641446	1	46	-2.0	-130.22	363.67	8.38	-121.84
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006641676	0	38	-2.0	-125.90	337.35	10.43	-115.47
CC1=C(CCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006642495	1	48	-2.0	-109.89	387.19	1.94	-107.95
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=C1	REAL300006642816	0	38	-2.0	-120.76	334.06	0.58	-120.18
C[C@H](O)[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300006643068	1	42	-2.0	-102.20	375.16	2.03	-100.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C(=O)[O-])[C@H](C)O	REAL300006643109	0	38	-2.0	-121.65	333.39	0.94	-120.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C1	REAL300006643150	1	40	-2.0	-122.07	352.71	4.95	-117.12
C[C@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300006643199	1	42	-2.0	-98.27	374.93	2.07	-96.20
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C1	REAL300006643201	1	45	-2.0	-95.82	390.59	2.85	-92.97
C[C@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006643319	1	42	-2.0	-103.12	370.49	2.09	-101.03
C[C@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006643320	1	42	-2.0	-107.39	370.68	2.09	-105.30
CC1=CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006643333	0	38	-2.0	-86.87	349.96	0.17	-86.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C2)C=C1	REAL300006643461	1	45	-2.0	-95.76	390.12	2.66	-93.10
C[C@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300006643545	0	39	-2.0	-112.75	364.41	1.95	-110.80
C[C@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006643562	1	41	-2.0	-93.63	355.89	-1.79	-95.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)O1	REAL300006643563	1	32	-2.0	-100.08	306.44	-3.98	-104.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=C2)C=C1	REAL300006643680	1	45	-2.0	-109.46	390.13	2.62	-106.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=C2)=C1	REAL300006643720	1	45	-2.0	-110.29	392.11	2.74	-107.55
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=C1	REAL300006643791	0	42	-2.0	-125.79	370.40	-1.80	-127.59
C[C@H](O)[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006643840	0	35	-2.0	-110.21	309.95	-0.80	-111.01
C[C@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300006643847	0	39	-2.0	-114.66	364.59	1.97	-112.69
C[C@H](O)[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300006643848	0	42	-2.0	-124.31	391.32	1.86	-122.45
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)=CS1	REAL300006644166	1	39	-2.0	-105.72	344.14	0.29	-105.43
C[C@H](O)[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006644347	0	35	-2.0	-102.79	315.30	-0.79	-103.58
CC1=C(CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006644355	1	41	-2.0	-120.77	359.05	0.59	-120.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C(=O)[O-])[C@H](C)O	REAL300006644360	0	41	-2.0	-112.04	350.94	0.79	-111.25
CC1=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006644413	1	41	-2.0	-107.84	332.87	0.59	-107.25
C[C@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006644518	1	42	-2.0	-95.97	370.66	2.08	-93.89
C[C@H](O)[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300006644958	0	41	-2.0	-115.12	355.83	1.45	-113.67
C[C@H](O)[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300006645042	0	28	-2.0	-89.52	288.38	1.30	-88.22
C[C@H](O)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006645095	1	31	-2.0	-111.92	284.13	2.57	-109.35
C[C@H](O)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006645172	0	34	-2.0	-99.30	309.03	-1.87	-101.17
C[C@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300006645228	1	41	-2.0	-92.09	365.71	0.30	-91.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2)=C1	REAL300006645243	0	44	-2.0	-127.75	369.53	3.21	-124.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2)C=C1	REAL300006645244	0	44	-2.0	-126.08	369.48	3.21	-122.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300006645302	0	38	-2.0	-121.68	331.58	2.28	-119.40
C[C@H](O)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006645305	0	35	-2.0	-123.24	316.74	1.41	-121.83
C[C@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006645333	0	35	-2.0	-101.12	336.29	-0.38	-101.50
C[C@H](O)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006645365	0	27	-2.0	-94.87	271.46	-0.77	-95.64
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2)=C1	REAL300006645405	0	38	-2.0	-130.61	335.08	1.99	-128.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300006645406	0	41	-2.0	-137.81	348.65	3.26	-134.55
CC1=C(CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006645432	1	41	-2.0	-107.71	352.29	0.33	-107.38
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=CC(Cl)=C1[O-]	REAL300006645507	1	35	-2.0	-97.74	316.61	1.66	-96.08
C[C@H](O)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006645511	0	38	-2.0	-131.92	339.17	2.72	-129.20
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2)C=C1	REAL300006645517	0	39	-2.0	-134.78	342.55	1.34	-133.44
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=CO1	REAL300006645532	1	32	-2.0	-97.47	300.47	-4.19	-101.66
C[C@H](O)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006646011	0	28	-2.0	-108.06	278.20	2.60	-105.46
CC1=C(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006646192	0	36	-2.0	-116.53	316.92	0.46	-116.07
CC1=C(CCC(=O)N[C@@H](CO)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300006646469	0	45	-2.0	-117.94	372.87	1.24	-116.70
CC1=C(CCC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006646469	1	45	-2.0	-117.94	372.87	1.24	-116.70
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006646514	0	45	-2.0	-110.60	390.24	2.75	-107.85
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006646514	1	45	-2.0	-110.60	390.24	2.75	-107.85
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1C	REAL300006646548	0	45	-2.0	-111.60	392.62	2.49	-109.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1C	REAL300006646548	1	45	-2.0	-111.60	392.62	2.49	-109.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006646747	0	35	-2.0	-118.65	315.02	-0.93	-119.58
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300006646967	0	39	-2.0	-110.37	360.82	1.32	-109.05
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300006646967	1	39	-2.0	-110.37	360.82	1.32	-109.05
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1F	REAL300006646994	0	42	-2.0	-112.66	380.62	1.99	-110.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1F	REAL300006646994	1	42	-2.0	-112.66	380.62	1.99	-110.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006647013	0	35	-2.0	-119.56	315.11	-0.71	-120.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300006647049	1	37	-2.0	-130.81	337.47	4.20	-126.61
O=C([O-])[C@H](CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300006647096	1	39	-2.0	-103.82	360.59	1.35	-102.47
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300006647098	1	42	-2.0	-103.15	374.29	2.04	-101.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)=C1C	REAL300006647102	1	45	-2.0	-104.40	390.79	2.59	-101.81
O=C([O-])[C@H](CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006647208	1	39	-2.0	-110.26	353.70	1.30	-108.96
O=C([O-])[C@H](CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300006647209	1	42	-2.0	-111.43	385.43	2.00	-109.43
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006647210	1	39	-2.0	-115.02	354.37	1.28	-113.74
CC1=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006647224	0	35	-2.0	-94.66	335.13	-0.52	-95.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1	REAL300006647335	1	42	-2.0	-104.04	375.28	1.96	-102.08
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300006647411	1	39	-2.0	-112.30	370.99	1.83	-110.47
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006647412	0	43	-2.0	-121.06	383.62	0.60	-120.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1	REAL300006647413	1	43	-2.0	-115.53	383.92	0.55	-114.98
O=C([O-])[C@H](CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006647418	0	36	-2.0	-108.55	346.12	0.29	-108.26
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])O1	REAL300006647432	1	38	-2.0	-101.15	339.70	-2.38	-103.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1	REAL300006647516	1	42	-2.0	-117.65	375.79	1.93	-115.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C2C)C=C1	REAL300006647523	1	45	-2.0	-117.93	391.22	2.70	-115.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)=CC=C1F	REAL300006647529	1	42	-2.0	-104.31	380.91	1.98	-102.33
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300006647530	1	42	-2.0	-103.84	376.07	2.13	-101.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](CO)C(=O)[O-])=CC=C1F	REAL300006647533	0	42	-2.0	-120.53	378.61	2.25	-118.28
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300006647559	0	43	-2.0	-107.30	383.11	0.63	-106.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006647561	1	42	-2.0	-104.62	376.75	2.04	-102.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C2C)=C1	REAL300006647562	1	45	-2.0	-118.39	390.74	2.72	-115.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300006647563	1	42	-2.0	-118.10	375.79	1.94	-116.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300006647564	1	45	-2.0	-111.87	391.85	2.61	-109.26
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300006647569	1	45	-2.0	-115.30	390.79	2.72	-112.58
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006647634	0	39	-2.0	-124.69	349.53	-2.70	-127.39
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006647677	0	32	-2.0	-117.92	293.15	-1.60	-119.52
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006647687	0	36	-2.0	-113.08	346.31	0.29	-112.79
O=C([O-])[C@H](CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006647688	0	39	-2.0	-121.29	370.96	0.94	-120.35
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CO)C(=O)[O-])=CS1	REAL300006647964	1	36	-2.0	-113.18	327.83	-0.51	-113.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1	REAL300006648030	1	43	-2.0	-102.39	383.90	0.56	-101.83
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006648111	0	32	-2.0	-110.65	299.57	-1.53	-112.18
CC1=C(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006648121	1	38	-2.0	-117.30	338.20	-0.31	-117.61
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006648124	0	38	-2.0	-120.17	336.61	0.08	-120.09
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006648263	1	39	-2.0	-103.30	353.88	1.29	-102.01
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300006648265	0	45	-2.0	-127.41	388.30	3.00	-124.41
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300006648588	0	38	-2.0	-122.90	339.53	0.64	-122.26
O=C([O-])[C@H](CO)NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300006648657	0	25	-2.0	-97.35	274.03	0.60	-96.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=N1	REAL300006648759	0	31	-2.0	-106.99	294.20	-2.57	-109.56
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006648802	1	38	-2.0	-99.46	349.40	-0.50	-99.96
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)=C1	REAL300006648815	0	41	-2.0	-135.39	354.15	2.50	-132.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)C=C1	REAL300006648816	0	41	-2.0	-133.63	354.22	2.47	-131.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300006648851	0	35	-2.0	-129.60	315.86	1.54	-128.06
O=C([O-])[C@H](CO)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006648854	0	32	-2.0	-130.84	300.44	0.60	-130.24
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006648875	0	32	-2.0	-98.85	315.91	-1.28	-100.13
O=C([O-])[C@H](CO)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006648897	0	24	-2.0	-102.37	255.02	-1.53	-103.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)=C1	REAL300006648930	0	35	-2.0	-138.17	318.78	1.19	-136.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300006648931	0	38	-2.0	-136.42	328.30	2.33	-134.09
CC1=C(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006648947	1	38	-2.0	-115.77	337.95	-0.38	-116.15
CCOC1=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006649004	1	32	-2.0	-104.98	300.30	0.86	-104.12
O=C([O-])[C@H](CO)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006649008	0	35	-2.0	-139.37	323.93	1.97	-137.40
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)C=C1	REAL300006649016	0	36	-2.0	-133.53	323.37	-0.12	-133.65
CC1=C(C(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006649492	0	33	-2.0	-117.78	298.31	-1.05	-118.83
O=C([O-])C1(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CCCC2CC21	REAL300006650690	0	39	-2.0	-127.85	315.57	7.87	-119.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300006651168	1	47	-2.0	-139.99	382.87	11.42	-128.57
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)O1	REAL300006651529	1	48	-2.0	-102.86	386.59	4.77	-98.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)O1	REAL300006651530	1	39	-2.0	-101.56	331.81	2.33	-99.23
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCC3CC32)=CS1	REAL300006652028	1	46	-2.0	-127.77	373.46	6.67	-121.10
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC3CC32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006652222	1	48	-2.0	-125.26	383.52	6.85	-118.41
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC2CC21	REAL300006653092	1	38	-2.0	-130.68	315.54	8.62	-122.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C=N1	REAL300006653176	0	41	-2.0	-110.45	340.43	4.65	-105.80
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCC2CC21	REAL300006653197	1	40	-2.0	-117.53	318.21	6.10	-111.43
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)=C1	REAL300006653248	0	51	-2.0	-145.04	400.03	9.71	-135.33
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)C=C1	REAL300006653249	0	51	-2.0	-143.53	399.97	9.70	-133.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300006653311	0	45	-2.0	-139.93	367.49	8.82	-131.11
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC2CC21	REAL300006653316	0	42	-2.0	-141.36	346.17	7.86	-133.50
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC2CC21	REAL300006653340	1	40	-2.0	-145.80	319.33	8.24	-137.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)=C1	REAL300006653464	0	45	-2.0	-148.69	364.53	8.44	-140.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300006653465	0	48	-2.0	-147.49	381.02	9.52	-137.97
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC3CC32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006653515	1	48	-2.0	-123.08	383.70	6.84	-116.24
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC2CC21	REAL300006653558	0	35	-2.0	-105.40	301.14	7.12	-98.28
COC1=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)NC(=O)[N-]C1=O	REAL300006653565	1	38	-2.0	-104.75	307.35	1.72	-103.03
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCCC2CC21	REAL300006653655	0	35	-2.0	-104.27	297.72	6.78	-97.49
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=CC(Cl)=C1[O-]	REAL300006653658	1	42	-2.0	-110.07	345.99	8.09	-101.98
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)C=C1	REAL300006653666	0	46	-2.0	-143.03	369.26	7.09	-135.94
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCC3CC32)=CO1	REAL300006653680	1	39	-2.0	-110.47	333.68	2.05	-108.42
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC2CC21	REAL300006653808	0	38	-2.0	-96.83	314.73	5.19	-91.64
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC2CC21	REAL300006653808	1	38	-2.0	-96.81	314.80	5.19	-91.62
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCCC3CC32)C(=O)[N-]1	REAL300006654054	1	40	-2.0	-116.69	320.06	3.75	-112.94
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC2CC21	REAL300006654091	1	43	-2.0	-117.61	333.97	6.65	-110.96
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC2CC21	REAL300006654317	0	35	-2.0	-125.68	309.46	8.66	-117.02
CC1=C(CCC(=O)NC2(C(=O)[O-])CCC3CC32)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006655032	1	52	-2.0	-123.24	405.77	7.54	-115.70
O=C([O-])C1(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CCC2CC21	REAL300006655104	0	36	-2.0	-125.56	303.92	6.77	-118.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300006655586	1	44	-2.0	-138.98	370.36	10.53	-128.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)O1	REAL300006655944	1	45	-2.0	-101.96	373.74	3.86	-98.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)O1	REAL300006655945	1	36	-2.0	-100.62	318.96	1.41	-99.21
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCC3CC32)=CS1	REAL300006656443	1	43	-2.0	-120.25	360.71	5.78	-114.47
CC1=C(CC(=O)NC2(C(=O)[O-])CCC3CC32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006656635	1	45	-2.0	-124.34	370.66	5.95	-118.39
O=C([O-])C1(NC(=O)C2=C[N-]C3=CC=C(Br)C=C3C2=O)CCC2CC21	REAL300006657254	1	37	-2.0	-111.26	325.76	7.99	-103.27
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC2CC21	REAL300006657386	1	35	-2.0	-129.41	302.67	7.76	-121.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C=N1	REAL300006657461	0	38	-2.0	-109.92	327.97	3.82	-106.10
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC2CC21	REAL300006657479	1	37	-2.0	-115.92	305.36	5.21	-110.71
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)=C1	REAL300006657528	0	48	-2.0	-142.53	388.37	8.59	-133.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)C=C1	REAL300006657529	0	48	-2.0	-141.99	387.11	8.81	-133.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300006657580	0	42	-2.0	-138.32	354.65	7.92	-130.40
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC2CC21	REAL300006657584	0	39	-2.0	-138.82	334.52	6.74	-132.08
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC2CC21	REAL300006657602	1	37	-2.0	-145.41	306.87	7.43	-137.98
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCC2CC21	REAL300006657619	0	39	-2.0	-105.86	348.79	5.07	-100.79
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCC2CC21	REAL300006657659	0	31	-2.0	-108.32	288.05	4.75	-103.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)=C1	REAL300006657706	0	42	-2.0	-147.12	351.66	7.55	-139.57
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300006657707	0	45	-2.0	-144.76	369.37	8.41	-136.35
CC1=C(CC(=O)NC2(C(=O)[O-])CCC3CC32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006657747	1	45	-2.0	-122.16	370.85	5.94	-116.22
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC2CC21	REAL300006657779	0	32	-2.0	-105.03	288.74	6.28	-98.75
COC1=C(C(=O)NC2(C(=O)[O-])CCC3CC32)NC(=O)[N-]C1=O	REAL300006657785	1	35	-2.0	-103.93	294.32	0.85	-103.08
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC3CC32)=CC(Cl)=C1[O-]	REAL300006657860	1	39	-2.0	-109.58	333.58	7.25	-102.33
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC2CC21	REAL300006657863	0	42	-2.0	-146.54	356.81	8.33	-138.21
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)C=C1	REAL300006657868	0	43	-2.0	-141.54	356.39	6.20	-135.34
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC3CC32)=CO1	REAL300006657879	1	36	-2.0	-111.58	318.11	1.39	-110.19
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2CC21	REAL300006657980	0	35	-2.0	-95.93	301.88	4.27	-91.66
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2CC21	REAL300006657980	1	35	-2.0	-95.95	301.95	4.28	-91.67
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC3CC32)C(=O)[N-]1	REAL300006658185	1	37	-2.0	-115.02	307.21	2.87	-112.15
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC2CC21	REAL300006658216	1	40	-2.0	-115.97	321.11	5.76	-110.21
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC2CC21	REAL300006658407	0	32	-2.0	-125.53	296.72	7.81	-117.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300006659615	1	47	-2.0	-138.27	391.60	10.83	-127.44
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006659976	1	48	-2.0	-100.26	394.74	4.19	-96.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006659977	1	39	-2.0	-98.94	339.98	1.75	-97.19
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=CS1	REAL300006660475	1	46	-2.0	-126.63	381.98	6.08	-120.55
CC1=C(CC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006660669	1	48	-2.0	-137.21	391.93	6.26	-130.95
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2(CCC2)C1	REAL300006661539	1	38	-2.0	-131.20	330.01	8.26	-122.94
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=N1	REAL300006661623	0	41	-2.0	-109.01	348.73	4.05	-104.96
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2(CCC2)C1	REAL300006661644	1	40	-2.0	-113.81	326.74	5.43	-108.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)=C1	REAL300006661695	0	51	-2.0	-143.50	408.18	9.13	-134.37
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)C=C1	REAL300006661696	0	51	-2.0	-142.32	408.11	9.14	-133.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006661758	0	45	-2.0	-138.51	375.65	8.23	-130.28
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2(CCC2)C1	REAL300006661763	0	42	-2.0	-139.92	354.32	7.28	-132.64
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2(CCC2)C1	REAL300006661787	1	40	-2.0	-144.65	327.48	7.64	-137.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)=C1	REAL300006661911	0	45	-2.0	-147.33	372.67	7.86	-139.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006661912	0	48	-2.0	-145.10	382.03	9.02	-136.08
CC1=C(CC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006661962	1	48	-2.0	-135.92	393.02	6.29	-129.63
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300006662005	0	35	-2.0	-104.20	309.60	6.51	-97.69
COC1=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)NC(=O)[N-]C1=O	REAL300006662012	1	38	-2.0	-103.71	315.33	1.10	-102.61
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300006662102	0	35	-2.0	-106.34	303.41	6.43	-99.91
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=CC(Cl)=C1[O-]	REAL300006662105	1	42	-2.0	-108.59	354.44	7.48	-101.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)C=C1	REAL300006662113	0	46	-2.0	-141.79	377.39	6.51	-135.28
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=CO1	REAL300006662127	1	39	-2.0	-111.35	339.37	1.72	-109.63
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CCC2)C1	REAL300006662255	0	38	-2.0	-94.94	322.88	4.60	-90.34
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CCC2)C1	REAL300006662255	1	38	-2.0	-94.91	322.95	4.61	-90.30
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]1	REAL300006662501	1	40	-2.0	-113.09	328.57	3.07	-110.02
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC2(CCC2)C1	REAL300006662538	1	43	-2.0	-113.93	342.49	5.97	-107.96
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2(CCC2)C1	REAL300006662764	0	35	-2.0	-125.27	317.74	8.06	-117.21
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=C1	REAL300006667379	0	53	-2.0	-106.45	413.39	6.51	-99.94
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C1	REAL300006667627	0	53	-2.0	-107.01	413.45	6.75	-100.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)O1	REAL300006668011	1	47	-2.0	-110.43	379.02	2.92	-107.51
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300006668227	0	50	-2.0	-105.53	391.99	5.85	-99.68
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=CS1	REAL300006668539	1	54	-2.0	-96.10	423.33	7.41	-88.69
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006668823	1	56	-2.0	-114.80	423.61	7.24	-107.56
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300006669849	1	43	-2.0	-97.96	333.61	6.86	-91.10
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006669862	1	46	-2.0	-103.79	368.08	8.16	-95.63
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300006669904	0	43	-2.0	-92.10	332.35	5.31	-86.79
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300006669904	1	43	-2.0	-92.16	332.41	5.32	-86.84
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300006669987	0	49	-2.0	-107.33	389.91	4.88	-102.45
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006670022	1	48	-2.0	-108.67	374.13	6.27	-102.40
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300006670064	1	42	-2.0	-99.05	324.74	4.99	-94.06
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006670177	0	50	-2.0	-111.72	393.39	8.77	-102.95
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006670223	1	48	-2.0	-116.81	368.81	9.26	-107.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=N1	REAL300006670382	0	56	-2.0	-122.08	432.54	9.85	-112.23
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006670514	0	43	-2.0	-97.42	352.10	7.50	-89.92
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)NC(=O)[N-]C1=O	REAL300006670532	1	46	-2.0	-101.23	364.07	1.43	-99.80
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300006670631	0	46	-2.0	-90.23	353.87	6.09	-84.14
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300006670631	1	46	-2.0	-90.21	353.93	6.11	-84.10
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300006670669	0	43	-2.0	-95.30	343.41	7.34	-87.96
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=CC(Cl)=C1[O-]	REAL300006670672	1	50	-2.0	-101.95	396.37	8.46	-93.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)=CO1	REAL300006670704	1	47	-2.0	-103.56	377.57	2.69	-100.87
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006670870	0	46	-2.0	-93.05	362.00	6.29	-86.76
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006670870	1	46	-2.0	-93.05	362.07	6.30	-86.75
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300006671158	0	41	-2.0	-98.16	316.50	5.36	-92.80
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C2)C(=O)[N-]1	REAL300006671193	1	48	-2.0	-107.07	375.99	3.92	-103.15
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006671242	1	51	-2.0	-107.05	390.32	6.93	-100.12
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006671562	0	43	-2.0	-101.04	361.61	8.77	-92.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300006673873	1	41	-2.0	-94.40	363.55	4.03	-90.37
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300006674325	1	48	-2.0	-109.29	407.70	8.37	-100.92
CN(C(=O)C1=CC=C([O-])C(F)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675407	1	37	-2.0	-96.31	318.07	7.83	-88.48
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675418	1	40	-2.0	-104.10	350.31	9.55	-94.55
CN(C(=O)CCC1=N[N-]N=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675452	0	37	-2.0	-91.79	315.27	6.32	-85.47
CN(C(=O)CCC1=NN=N[N-]1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675452	1	37	-2.0	-91.72	315.33	6.34	-85.38
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675523	0	43	-2.0	-99.47	369.66	5.88	-93.59
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675548	1	42	-2.0	-103.44	357.92	7.31	-96.13
CN(C(=O)C1=CN=CC([O-])=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675585	1	36	-2.0	-96.65	303.83	5.83	-90.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300006675666	0	47	-2.0	-120.13	398.24	10.71	-109.42
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675671	0	44	-2.0	-120.34	378.41	9.80	-110.54
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675702	1	42	-2.0	-125.44	348.83	10.89	-114.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300006675840	0	47	-2.0	-127.58	396.72	10.29	-117.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300006675841	0	50	-2.0	-126.59	396.31	10.82	-115.77
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006675952	0	37	-2.0	-92.57	331.04	8.35	-84.22
COC1=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006675963	1	40	-2.0	-94.26	344.80	2.30	-91.96
CN(C(=O)CCCC1=N[N-]N=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676043	0	40	-2.0	-99.06	336.76	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676043	1	40	-2.0	-99.09	336.82	7.12	-91.97
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676075	0	37	-2.0	-93.70	327.87	8.33	-85.37
CCOC1=CC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006676079	1	44	-2.0	-98.35	377.02	9.43	-88.92
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300006676085	0	48	-2.0	-123.20	401.48	9.04	-114.16
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300006676101	1	41	-2.0	-94.61	359.80	3.69	-90.92
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676241	0	40	-2.0	-87.67	344.86	7.50	-80.17
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676241	1	40	-2.0	-87.66	344.93	7.52	-80.14
CN(C(=O)C1=C[N-]N=CC1=O)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676479	0	35	-2.0	-101.68	302.22	6.40	-95.28
COCC1=NC=C(C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300006676503	1	42	-2.0	-102.54	360.03	4.90	-97.64
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676546	1	45	-2.0	-117.46	373.80	7.88	-109.58
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300006676793	0	37	-2.0	-103.65	339.44	10.34	-93.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)O1	REAL300006678454	1	45	-2.0	-117.92	367.00	3.68	-114.24
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=CS1	REAL300006678889	1	52	-2.0	-110.81	411.34	7.52	-103.29
O=C([O-])C1CC2(CN1C(=O)C1=CC=C([O-])C(F)=C1)CCCCC2	REAL300006679957	1	41	-2.0	-112.39	321.98	6.95	-105.44
O=C([O-])C1CC2(CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCCCC2	REAL300006679968	1	44	-2.0	-116.66	348.81	9.53	-107.13
O=C([O-])C1CC2(CN1C(=O)CCC1=N[N-]N=N1)CCCCC2	REAL300006680002	0	41	-2.0	-103.52	320.37	5.40	-98.12
O=C([O-])C1CC2(CN1C(=O)CCC1=NN=N[N-]1)CCCCC2	REAL300006680002	1	41	-2.0	-103.52	320.43	5.42	-98.10
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=N1	REAL300006680071	0	47	-2.0	-122.82	373.78	5.00	-117.82
O=C([O-])C1CC2(CN1C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCCCC2	REAL300006680096	1	46	-2.0	-132.59	353.24	7.45	-125.14
O=C([O-])C1CC2(CN1C(=O)C1=CN=CC([O-])=C1)CCCCC2	REAL300006680131	1	40	-2.0	-114.40	310.66	4.98	-109.42
O=C([O-])C1CC2(CN1C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CCCCC2	REAL300006680214	0	48	-2.0	-133.07	379.12	8.98	-124.09
O=C([O-])C1CC2(CN1C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCCCC2	REAL300006680245	1	46	-2.0	-136.17	354.76	10.45	-125.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300006680382	0	54	-2.0	-143.27	415.80	10.68	-132.59
O=C([O-])C1CC2(CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCCCC2	REAL300006680492	0	41	-2.0	-107.26	339.63	7.53	-99.73
COC1=C(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)NC(=O)[N-]C1=O	REAL300006680504	1	44	-2.0	-112.01	351.54	2.06	-109.95
O=C([O-])C1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCCCC2	REAL300006680582	0	44	-2.0	-97.48	341.77	6.20	-91.28
O=C([O-])C1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCCCC2	REAL300006680582	1	44	-2.0	-97.48	341.83	6.22	-91.26
O=C([O-])C1CC2(CN1C(=O)C1=CC=C([O-])C(Cl)=C1)CCCCC2	REAL300006680614	0	41	-2.0	-109.04	331.77	7.43	-101.61
CCOC1=CC(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=CC(Cl)=C1[O-]	REAL300006680617	1	48	-2.0	-114.08	379.33	8.51	-105.57
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CC3C(=O)[O-])CCCCC4)=N2)C=C1	REAL300006680623	0	52	-2.0	-138.46	402.20	8.22	-130.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=CO1	REAL300006680639	1	45	-2.0	-109.46	366.36	3.61	-105.85
O=C([O-])C1CC2(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCCCC2	REAL300006680780	0	44	-2.0	-102.16	350.22	6.91	-95.25
O=C([O-])C1CC2(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCCCC2	REAL300006680780	1	44	-2.0	-102.13	350.29	6.91	-95.22
O=C([O-])C1CC2(CN1C(=O)C1=C[N-]N=CC1=O)CCCCC2	REAL300006681012	0	39	-2.0	-115.21	296.04	6.47	-108.74
COCC1=NC=C(C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C(=O)[N-]1	REAL300006681035	1	46	-2.0	-131.16	364.47	4.32	-126.84
O=C([O-])C1CC2(CN1C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCCCC2	REAL300006681078	1	49	-2.0	-136.16	378.29	7.67	-128.49
O=C([O-])C1CC2(CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCCCC2	REAL300006681319	0	41	-2.0	-114.21	342.88	9.56	-104.65
CC1=C(CCC(=O)NC(C(=O)[O-])C2CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006683675	1	54	-2.0	-107.42	425.06	7.11	-100.31
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300006684225	1	46	-2.0	-130.01	387.18	10.03	-119.98
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)O1	REAL300006684586	1	47	-2.0	-98.00	391.23	3.33	-94.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)O1	REAL300006684587	1	38	-2.0	-97.27	340.58	0.94	-96.33
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCCC2)=CS1	REAL300006685086	1	45	-2.0	-118.41	374.38	5.23	-113.18
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006685278	1	47	-2.0	-117.26	384.49	5.34	-111.92
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCC1	REAL300006686052	1	37	-2.0	-119.77	319.49	7.68	-112.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C=N1	REAL300006686128	0	40	-2.0	-105.45	349.19	3.27	-102.18
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCC1	REAL300006686146	1	39	-2.0	-112.21	322.29	4.65	-107.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCC3)=N2)=C1	REAL300006686194	0	50	-2.0	-135.09	408.79	8.31	-126.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCC3)=N2)C=C1	REAL300006686195	0	50	-2.0	-133.61	406.02	8.29	-125.32
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300006686247	0	44	-2.0	-129.89	373.55	7.37	-122.52
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCC1	REAL300006686252	0	41	-2.0	-130.79	354.94	6.45	-124.34
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCC1	REAL300006686270	1	39	-2.0	-136.44	325.39	7.30	-129.14
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCCC1	REAL300006686288	0	41	-2.0	-98.39	362.47	4.44	-93.95
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1CCCC1	REAL300006686328	0	33	-2.0	-101.75	301.75	4.11	-97.64
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCC3)=N2)=C1	REAL300006686376	0	44	-2.0	-137.62	368.48	7.02	-130.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300006686377	0	47	-2.0	-136.53	385.00	8.10	-128.43
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006686419	1	47	-2.0	-116.01	384.82	5.27	-110.74
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCC1	REAL300006686454	0	34	-2.0	-98.73	309.96	5.74	-92.99
COC1=C(C(=O)NC(C(=O)[O-])C2CCCC2)NC(=O)[N-]C1=O	REAL300006686460	1	37	-2.0	-98.77	308.47	0.59	-98.18
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=CC(Cl)=C1[O-]	REAL300006686538	1	41	-2.0	-104.05	346.90	6.53	-97.52
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCCC1	REAL300006686541	0	44	-2.0	-139.30	375.72	7.81	-131.49
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCC3)=N2)C=C1	REAL300006686546	0	45	-2.0	-132.70	373.21	5.66	-127.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCC2)=CO1	REAL300006686557	1	38	-2.0	-104.30	331.78	0.79	-103.51
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300006686663	0	37	-2.0	-92.22	320.79	3.78	-88.44
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300006686663	1	37	-2.0	-92.23	320.86	3.80	-88.43
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCC2)C(=O)[N-]1	REAL300006686874	1	39	-2.0	-111.12	324.12	2.30	-108.82
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCC1	REAL300006686908	1	42	-2.0	-112.33	338.03	5.20	-107.13
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300006687103	0	34	-2.0	-116.32	311.56	7.53	-108.79
CO[C@H](C)[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300006688738	1	51	-2.0	-117.51	412.76	4.66	-112.85
CO[C@H](C)[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300006689263	1	43	-2.0	-130.06	377.87	7.59	-122.47
CO[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006689410	1	45	-2.0	-109.54	394.58	4.68	-104.86
CO[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006689411	1	45	-2.0	-113.72	394.77	4.67	-109.05
CO[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300006689422	0	41	-2.0	-93.84	376.02	2.86	-90.98
CO[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300006689604	0	42	-2.0	-107.67	386.52	3.68	-103.99
CO[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006689622	1	44	-2.0	-100.69	381.11	0.97	-99.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300006689623	1	35	-2.0	-99.44	326.48	-1.52	-100.96
CO[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300006689848	0	42	-2.0	-112.03	386.57	3.73	-108.30
CO[C@H](C)[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300006690104	1	42	-2.0	-111.89	367.73	2.91	-108.98
CO[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300006690283	1	44	-2.0	-116.61	378.03	3.09	-113.52
CO[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006690412	1	45	-2.0	-102.08	394.63	4.72	-97.36
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006690958	1	34	-2.0	-119.18	310.17	5.24	-113.94
CO[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006691027	0	37	-2.0	-106.18	335.09	0.82	-105.36
CO[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300006691073	1	44	-2.0	-98.15	389.67	2.94	-95.21
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300006691087	0	47	-2.0	-135.04	394.19	5.88	-129.16
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300006691088	0	47	-2.0	-133.14	394.60	5.86	-127.28
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300006691134	0	41	-2.0	-129.10	356.26	4.95	-124.15
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006691138	0	38	-2.0	-130.54	340.34	4.02	-126.52
CO[C@H](C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006691154	1	36	-2.0	-135.40	313.99	4.87	-130.53
CO[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006691170	0	38	-2.0	-97.77	356.31	2.10	-95.67
CO[C@H](C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006691204	0	30	-2.0	-101.17	295.55	1.82	-99.35
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300006691239	0	41	-2.0	-137.73	359.17	4.58	-133.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300006691240	0	44	-2.0	-135.90	368.69	5.72	-130.18
CO[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300006691268	1	44	-2.0	-114.52	378.21	3.08	-111.44
CO[C@H](C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006691295	0	31	-2.0	-99.04	295.72	3.35	-95.69
COC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)NC(=O)[N-]C1=O	REAL300006691298	1	34	-2.0	-100.93	301.81	-1.66	-102.59
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC(Cl)=C1[O-]	REAL300006691358	1	38	-2.0	-104.10	340.21	4.28	-99.82
CO[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006691361	0	41	-2.0	-139.16	364.32	5.37	-133.79
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2)C=C1	REAL300006691366	0	42	-2.0	-133.00	363.40	3.25	-129.75
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CO1	REAL300006691376	1	35	-2.0	-103.94	325.13	-1.52	-105.46
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006691470	0	34	-2.0	-93.20	309.39	1.34	-91.86
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006691470	1	34	-2.0	-93.21	309.46	1.35	-91.86
CO[C@H](C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006691682	1	39	-2.0	-113.95	328.25	2.79	-111.16
CO[C@H](C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006691849	0	31	-2.0	-115.43	304.25	5.27	-110.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)O1	REAL300006693202	1	45	-2.0	-89.49	392.39	4.88	-84.61
CC1=C(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006693825	1	54	-2.0	-103.82	437.38	9.06	-94.76
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CCC2=C1	REAL300006694725	1	41	-2.0	-94.20	348.11	8.71	-85.49
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CCC2=C1	REAL300006694739	1	44	-2.0	-99.86	380.11	10.56	-89.30
O=C([O-])CCC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300006694800	0	41	-2.0	-89.56	345.99	7.12	-82.44
O=C([O-])CCC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300006694800	1	41	-2.0	-89.56	346.05	7.14	-82.42
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CCC2=C1	REAL300006694894	1	46	-2.0	-99.79	388.12	8.11	-91.68
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CN=CC([O-])=C3)CCC2=C1	REAL300006694921	1	40	-2.0	-93.87	335.50	6.69	-87.18
O=C([O-])CCC1=CC=C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCC2=C1	REAL300006695062	1	46	-2.0	-107.62	379.39	11.65	-95.97
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCC2=C1	REAL300006695336	0	41	-2.0	-89.06	362.87	9.21	-79.85
COC1=C(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)NC(=O)[N-]C1=O	REAL300006695355	1	44	-2.0	-91.27	376.98	3.23	-88.04
O=C([O-])CCC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL300006695446	0	44	-2.0	-96.73	367.50	7.90	-88.83
O=C([O-])CCC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL300006695446	1	44	-2.0	-96.75	367.56	7.92	-88.83
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CCC2=C1	REAL300006695478	0	41	-2.0	-90.23	357.89	9.19	-81.04
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)=CO1	REAL300006695508	1	45	-2.0	-90.62	390.99	4.53	-86.09
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300006695649	0	44	-2.0	-84.97	374.90	8.18	-76.79
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300006695649	1	44	-2.0	-84.92	374.96	8.18	-76.74
O=C([O-])CCC1=CC=C2CN(C(=O)C3=C[N-]N=CC3=O)CCC2=C1	REAL300006695894	0	39	-2.0	-91.03	335.75	7.18	-83.85
COCC1=NC=C(C(=O)N2CCC3=CC(CCC(=O)[O-])=CC=C3C2)C(=O)[N-]1	REAL300006695926	1	46	-2.0	-98.63	389.98	5.76	-92.87
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCC2=C1	REAL300006695967	1	49	-2.0	-91.19	395.74	8.62	-82.57
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC2=C1	REAL300006696241	0	41	-2.0	-95.53	374.16	10.61	-84.92
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])=C1	REAL300006698248	0	44	-2.0	-113.83	381.01	5.79	-108.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006698546	0	44	-2.0	-114.86	381.09	6.01	-108.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300006698591	1	46	-2.0	-127.11	403.45	10.95	-116.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])O1	REAL300006699021	1	47	-2.0	-98.03	407.51	4.22	-93.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])O1	REAL300006699022	1	38	-2.0	-97.27	352.05	1.81	-95.46
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006699291	0	41	-2.0	-113.20	359.62	5.11	-108.09
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=CC=C2CC(=O)[O-])=CS1	REAL300006699641	1	45	-2.0	-110.90	393.81	6.23	-104.67
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006699877	0	41	-2.0	-106.21	366.03	5.18	-101.03
CC1=C(CC(=O)NCC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006699880	1	47	-2.0	-114.91	403.75	6.38	-108.53
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC=C1CC(=O)[O-]	REAL300006699883	0	47	-2.0	-115.38	402.58	6.80	-108.58
CC1=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006699964	1	47	-2.0	-108.43	383.71	6.61	-101.82
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300006701024	1	34	-2.0	-100.36	305.46	6.04	-94.32
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006701035	1	37	-2.0	-115.50	335.74	8.59	-106.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C=N1	REAL300006701142	0	40	-2.0	-103.48	360.67	4.14	-99.34
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006701178	1	39	-2.0	-107.56	338.48	5.55	-102.01
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CC(=O)[O-])=N2)=C1	REAL300006701236	0	50	-2.0	-129.03	420.30	9.18	-119.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CC(=O)[O-])=N2)C=C1	REAL300006701237	0	50	-2.0	-127.71	420.19	9.20	-118.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])=N1	REAL300006701332	0	44	-2.0	-124.13	387.71	8.30	-115.83
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006701337	0	41	-2.0	-125.23	366.45	7.33	-117.90
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006701375	1	39	-2.0	-129.10	339.57	8.22	-120.88
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CC(=O)[O-])=N2)=C1	REAL300006701541	0	44	-2.0	-132.34	384.75	7.92	-124.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])=N1	REAL300006701542	0	47	-2.0	-130.94	401.25	9.01	-121.93
CC1=C(CC(=O)NCC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006701619	1	47	-2.0	-112.99	403.93	6.37	-106.62
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006701679	0	34	-2.0	-97.39	321.47	6.59	-90.80
COC1=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300006701695	1	37	-2.0	-100.15	327.40	1.66	-98.49
O=C([O-])CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300006701796	0	37	-2.0	-105.59	324.37	4.91	-100.68
O=C([O-])CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300006701796	1	37	-2.0	-105.56	324.43	4.92	-100.64
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006701832	0	34	-2.0	-97.84	315.26	6.53	-91.31
CCOC1=CC(C(=O)NCC2=CC=CC=C2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006701835	1	41	-2.0	-102.15	366.31	7.57	-94.58
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC=C3CC(=O)[O-])=N2)C=C1	REAL300006701845	0	45	-2.0	-127.31	389.52	6.56	-120.75
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=CC=C2CC(=O)[O-])=CO1	REAL300006701869	1	38	-2.0	-103.68	351.20	1.79	-101.89
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006702035	0	37	-2.0	-91.85	334.97	4.70	-87.15
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006702035	1	37	-2.0	-91.86	335.04	4.70	-87.16
COCC1=NC=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]1	REAL300006702367	1	39	-2.0	-106.73	340.32	3.20	-103.53
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006702415	1	42	-2.0	-107.61	354.24	6.09	-101.52
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006702736	0	34	-2.0	-111.47	329.82	8.63	-102.84
CC1=C(C(=O)NCC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006703049	0	42	-2.0	-111.16	363.94	5.70	-105.46
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706266	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706266	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706267	0	42	-2.0	-104.01	339.52	6.22	-97.79
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706267	1	42	-2.0	-103.99	339.55	6.21	-97.78
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706268	0	38	-2.0	-108.12	308.48	5.95	-102.17
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706268	1	38	-2.0	-108.13	308.51	5.94	-102.19
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300006706269	0	35	-2.0	-100.12	301.32	5.09	-95.03
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300006706269	1	35	-2.0	-100.10	301.36	5.10	-95.00
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300006706270	0	37	-2.0	-102.13	302.42	4.99	-97.14
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300006706270	1	37	-2.0	-102.07	302.48	4.99	-97.08
CCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300006706271	0	49	-2.0	-101.54	390.67	6.91	-94.63
CCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300006706271	1	49	-2.0	-101.52	390.70	6.93	-94.59
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706272	0	44	-2.0	-96.64	357.85	7.47	-89.17
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706272	1	44	-2.0	-96.66	357.92	7.49	-89.17
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300006706273	0	37	-2.0	-107.83	304.19	4.19	-103.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300006706273	1	37	-2.0	-107.84	304.24	4.19	-103.65
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706274	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706274	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300006706275	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300006706275	1	40	-2.0	-98.42	338.96	6.79	-91.63
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300006706276	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300006706276	1	40	-2.0	-98.42	338.96	6.79	-91.63
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706277	0	48	-2.0	-97.30	383.18	7.51	-89.79
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706277	1	48	-2.0	-97.36	383.20	7.53	-89.83
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300006706278	0	35	-2.0	-97.83	290.48	4.70	-93.13
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300006706278	1	35	-2.0	-97.82	290.53	4.70	-93.12
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706279	0	44	-2.0	-108.79	344.13	7.55	-101.24
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706279	1	44	-2.0	-108.76	344.19	7.56	-101.20
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300006706280	0	48	-2.0	-98.30	383.68	7.77	-90.53
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300006706280	1	48	-2.0	-98.36	383.71	7.78	-90.58
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706281	0	41	-2.0	-110.26	331.77	7.05	-103.21
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706281	1	41	-2.0	-110.20	331.82	7.07	-103.13
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O=C([O-])C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300006706282	1	44	-2.0	-123.15	321.05	6.26	-116.89
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300006706283	0	37	-2.0	-100.75	306.41	4.31	-96.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300006706283	1	37	-2.0	-100.78	306.45	4.32	-96.46
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300006706284	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300006706284	1	37	-2.0	-95.38	301.76	4.99	-90.39
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706285	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706285	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300006706286	0	38	-2.0	-98.36	311.96	5.92	-92.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300006706286	1	38	-2.0	-98.39	311.91	5.93	-92.46
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300006706287	0	36	-2.0	-96.18	297.29	3.14	-93.04
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300006706287	1	36	-2.0	-96.16	297.23	3.13	-93.03
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300006706288	0	44	-2.0	-101.20	329.99	6.27	-94.93
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300006706288	1	44	-2.0	-101.24	330.04	6.29	-94.95
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O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300006706289	1	44	-2.0	-135.35	320.63	6.22	-129.13
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706290	0	41	-2.0	-108.26	336.20	6.61	-101.65
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706290	1	41	-2.0	-108.27	336.27	6.62	-101.65
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300006706291	0	37	-2.0	-112.17	312.59	2.69	-109.48
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300006706291	1	37	-2.0	-112.25	312.53	2.68	-109.57
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300006706292	0	40	-2.0	-94.97	318.17	5.48	-89.49
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300006706292	1	40	-2.0	-94.95	318.22	5.48	-89.47
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706293	0	38	-2.0	-98.72	332.03	6.72	-92.00
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706293	1	38	-2.0	-98.72	332.07	6.74	-91.98
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706294	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706294	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300006706295	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300006706295	1	41	-2.0	-106.40	317.02	5.38	-101.02
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706296	0	41	-2.0	-108.13	332.88	6.88	-101.25
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706296	1	41	-2.0	-108.17	332.93	6.90	-101.27
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CO1	REAL300006706297	0	38	-2.0	-111.13	307.74	4.84	-106.29
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CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706298	0	41	-2.0	-111.52	341.35	5.47	-106.05
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706298	1	41	-2.0	-111.49	341.41	5.48	-106.01
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O=C([O-])C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300006706300	1	47	-2.0	-111.29	348.40	7.37	-103.92
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706301	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706301	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2N=C1	REAL300006706302	0	40	-2.0	-112.50	329.09	5.47	-107.03
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2N=C1	REAL300006706302	1	40	-2.0	-112.52	329.04	5.46	-107.06
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300006706303	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300006706303	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300006706304	0	34	-2.0	-97.14	285.25	4.13	-93.01
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CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300006706306	0	38	-2.0	-102.13	309.45	4.95	-97.18
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300006706306	1	38	-2.0	-102.18	309.51	4.98	-97.20
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706307	0	38	-2.0	-97.09	308.26	5.20	-91.89
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706307	1	38	-2.0	-97.17	308.31	5.20	-91.97
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300006706308	0	38	-2.0	-108.07	317.52	4.18	-103.89
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300006706308	1	38	-2.0	-108.03	317.46	4.17	-103.86
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300006706309	0	39	-2.0	-97.31	323.80	5.88	-91.43
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300006706309	1	39	-2.0	-97.29	323.86	5.88	-91.41
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706310	0	42	-2.0	-97.43	337.59	6.16	-91.27
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706310	1	42	-2.0	-97.40	337.60	6.18	-91.22
O=C([O-])CSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706311	0	38	-2.0	-100.00	316.75	5.52	-94.48
O=C([O-])CSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706311	1	38	-2.0	-100.02	316.80	5.53	-94.49
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300006706312	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300006706312	1	37	-2.0	-95.38	301.76	4.99	-90.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706313	0	38	-2.0	-96.57	311.24	3.57	-93.00
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706313	1	38	-2.0	-96.57	311.11	3.54	-93.03
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O[C@H]1C(=O)[O-]	REAL300006706314	0	42	-2.0	-119.04	325.80	5.45	-113.59
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O[C@H]1C(=O)[O-]	REAL300006706314	1	42	-2.0	-119.07	325.85	5.47	-113.60
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706315	0	41	-2.0	-104.82	328.78	6.66	-98.16
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706315	1	41	-2.0	-104.94	328.78	6.68	-98.26
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706316	0	42	-2.0	-98.55	338.67	7.16	-91.39
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706316	1	42	-2.0	-98.57	338.67	7.18	-91.39
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706317	0	39	-2.0	-101.35	324.69	5.74	-95.61
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706317	1	39	-2.0	-101.39	324.74	5.75	-95.64
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300006706318	0	41	-2.0	-114.44	344.62	1.59	-112.85
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300006706318	1	41	-2.0	-114.43	344.56	1.57	-112.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300006706319	0	39	-2.0	-97.87	326.21	6.08	-91.79
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300006706319	1	39	-2.0	-97.93	326.26	6.08	-91.85
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300006706320	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300006706320	1	41	-2.0	-106.40	317.02	5.38	-101.02
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300006706321	0	41	-2.0	-108.34	324.58	6.48	-101.86
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300006706321	1	41	-2.0	-108.39	324.62	6.47	-101.92
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706322	0	37	-2.0	-100.32	303.76	4.13	-96.19
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706322	1	37	-2.0	-100.31	303.72	4.12	-96.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706323	0	40	-2.0	-101.03	321.68	4.81	-96.22
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706323	1	40	-2.0	-101.01	321.73	4.82	-96.19
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706324	0	38	-2.0	-126.32	316.85	4.20	-122.12
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706324	1	38	-2.0	-126.35	316.79	4.19	-122.16
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706325	0	44	-2.0	-132.75	356.83	5.94	-126.81
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706325	1	44	-2.0	-132.76	356.77	5.92	-126.84
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300006706326	0	45	-2.0	-109.84	353.15	5.62	-104.22
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300006706326	1	45	-2.0	-109.81	353.22	5.63	-104.18
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300006706327	0	45	-2.0	-99.25	353.82	4.74	-94.51
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300006706327	1	45	-2.0	-99.27	353.88	4.75	-94.52
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C(=O)[O-])=C1	REAL300006706328	0	38	-2.0	-94.34	308.13	5.39	-88.95
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C(=O)[O-])=C1	REAL300006706328	1	38	-2.0	-94.32	308.19	5.40	-88.92
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706329	0	46	-2.0	-132.23	326.05	7.63	-124.60
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706329	1	46	-2.0	-132.27	326.10	7.63	-124.64
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706330	0	44	-2.0	-137.36	316.86	6.12	-131.24
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706330	1	44	-2.0	-137.38	316.89	6.13	-131.25
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300006706332	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300006706332	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300006706333	0	45	-2.0	-115.00	364.96	8.41	-106.59
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300006706333	1	45	-2.0	-114.97	365.01	8.43	-106.54
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O=C([O-])C1CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300006706334	1	42	-2.0	-116.80	330.10	6.74	-110.06
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706335	0	44	-2.0	-119.06	336.95	6.43	-112.63
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706335	1	44	-2.0	-119.07	337.00	6.45	-112.62
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706336	0	41	-2.0	-119.27	328.87	7.00	-112.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706336	1	41	-2.0	-119.33	328.93	7.02	-112.31
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300006706337	0	41	-2.0	-90.26	319.59	5.28	-84.98
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300006706337	1	41	-2.0	-90.31	319.65	5.31	-85.00
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706338	0	35	-2.0	-105.00	288.76	2.67	-102.33
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706338	1	35	-2.0	-104.94	288.81	2.67	-102.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706339	0	40	-2.0	-100.73	319.35	5.04	-95.69
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706339	1	40	-2.0	-100.67	319.39	5.04	-95.63
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706340	0	41	-2.0	-104.66	329.94	7.13	-97.53
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706340	1	41	-2.0	-104.70	329.98	7.12	-97.58
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300006706341	0	38	-2.0	-96.73	320.31	6.35	-90.38
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300006706341	1	38	-2.0	-96.82	320.27	6.35	-90.47
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300006706342	0	45	-2.0	-95.60	351.37	6.76	-88.84
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300006706342	1	45	-2.0	-95.61	351.43	6.77	-88.84
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706343	0	41	-2.0	-101.07	332.17	4.30	-96.77
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706343	1	41	-2.0	-101.08	332.23	4.30	-96.78
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706344	0	39	-2.0	-101.98	307.04	4.96	-97.02
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706344	1	39	-2.0	-101.95	307.08	4.98	-96.97
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706345	0	44	-2.0	-98.39	350.18	7.47	-90.92
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706345	1	44	-2.0	-98.40	350.18	7.48	-90.92
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300006706346	0	41	-2.0	-116.49	312.97	5.71	-110.78
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300006706346	1	41	-2.0	-116.51	313.08	5.71	-110.80
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300006706347	0	42	-2.0	-92.76	340.70	6.85	-85.91
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300006706347	1	42	-2.0	-92.80	340.75	6.87	-85.93
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300006706348	0	34	-2.0	-96.23	293.69	3.93	-92.30
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300006706348	1	34	-2.0	-96.26	293.64	3.93	-92.33
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300006706349	0	38	-2.0	-103.47	318.40	5.66	-97.81
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300006706349	1	38	-2.0	-103.47	318.43	5.68	-97.79
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300006706350	0	38	-2.0	-97.20	335.54	6.45	-90.75
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300006706350	1	38	-2.0	-97.19	335.60	6.45	-90.74
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706351	0	42	-2.0	-105.30	345.34	5.55	-99.75
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706351	1	42	-2.0	-105.35	345.32	5.57	-99.78
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300006706352	0	41	-2.0	-114.99	342.24	7.15	-107.84
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300006706352	1	41	-2.0	-115.00	342.30	7.16	-107.84
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706353	0	43	-2.0	-110.68	344.80	5.41	-105.27
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706353	1	43	-2.0	-110.66	344.86	5.40	-105.26
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300006706354	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300006706354	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300006706355	0	39	-2.0	-96.19	332.74	5.41	-90.78
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300006706355	1	39	-2.0	-96.27	332.86	5.43	-90.84
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)S1	REAL300006706356	0	39	-2.0	-97.10	330.32	5.53	-91.57
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)S1	REAL300006706356	1	39	-2.0	-97.15	330.38	5.54	-91.61
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300006706357	0	39	-2.0	-101.28	321.42	4.54	-96.74
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300006706357	1	39	-2.0	-101.26	321.50	4.54	-96.72
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706358	0	41	-2.0	-104.20	319.32	6.53	-97.67
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706358	1	41	-2.0	-104.24	319.37	6.55	-97.69
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300006706359	0	41	-2.0	-100.63	335.87	5.71	-94.92
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300006706359	1	41	-2.0	-100.66	335.92	5.71	-94.95
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706360	0	35	-2.0	-105.00	300.14	4.90	-100.10
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706360	1	35	-2.0	-105.03	300.20	4.90	-100.13
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706361	0	43	-2.0	-137.70	316.83	4.23	-133.47
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706361	1	43	-2.0	-137.77	317.00	4.25	-133.52
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300006706362	0	44	-2.0	-102.91	349.77	8.51	-94.40
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300006706362	1	44	-2.0	-102.99	349.82	8.51	-94.48
CC(C)[C@]1(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL300006706363	0	44	-2.0	-109.22	328.32	6.00	-103.22
CC(C)[C@]1(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL300006706363	1	44	-2.0	-109.71	328.01	6.00	-103.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706364	0	44	-2.0	-109.13	353.13	7.11	-102.02
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706364	1	44	-2.0	-109.11	353.19	7.14	-101.97
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300006706365	0	38	-2.0	-110.53	323.30	6.20	-104.33
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300006706365	1	38	-2.0	-110.55	323.36	6.22	-104.33
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300006706366	0	41	-2.0	-115.18	336.31	7.10	-108.08
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300006706366	1	41	-2.0	-115.14	336.36	7.11	-108.03
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300006706367	0	41	-2.0	-116.29	317.54	5.43	-110.86
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300006706367	1	41	-2.0	-116.24	317.60	5.43	-110.81
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300006706368	0	45	-2.0	-102.30	356.17	7.41	-94.89
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300006706368	1	45	-2.0	-102.34	356.22	7.42	-94.92
CC1=C(CCC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006708452	1	51	-2.0	-121.17	402.38	7.03	-114.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300006708981	1	43	-2.0	-137.40	367.03	10.00	-127.40
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006709128	1	45	-2.0	-111.52	378.72	6.78	-104.74
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300006709129	1	45	-2.0	-123.43	387.78	7.25	-116.18
CC1=CC(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006709140	0	41	-2.0	-96.05	360.17	4.96	-91.09
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300006709324	0	42	-2.0	-109.85	370.66	5.78	-104.07
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006709341	1	44	-2.0	-99.97	371.09	3.31	-96.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)O1	REAL300006709342	1	35	-2.0	-98.72	315.64	0.90	-97.82
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300006709570	0	42	-2.0	-121.68	379.73	6.26	-115.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CS1	REAL300006709824	1	42	-2.0	-125.85	352.37	4.96	-120.89
CC1=C(CC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006709996	1	44	-2.0	-137.84	371.19	5.60	-132.24
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300006710125	1	45	-2.0	-105.96	378.91	6.77	-99.19
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006710657	1	34	-2.0	-132.63	303.17	7.34	-125.29
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006710723	0	37	-2.0	-107.93	321.61	2.97	-104.96
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300006710768	1	44	-2.0	-102.07	373.95	5.00	-97.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=N2)=C1	REAL300006710782	0	47	-2.0	-142.53	378.78	7.95	-134.58
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=N2)C=C1	REAL300006710783	0	47	-2.0	-140.54	378.91	7.97	-132.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300006710830	0	41	-2.0	-140.08	355.19	7.55	-132.53
CC1[C@@H](C)[C@@]1(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006710834	0	38	-2.0	-140.46	329.98	6.41	-134.05
CC1[C@@H](C)[C@@]1(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006710849	1	36	-2.0	-145.84	306.99	6.95	-138.89
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006710865	0	38	-2.0	-107.46	349.32	4.68	-102.78
CC1[C@@H](C)[C@@]1(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006710895	0	30	-2.0	-110.47	288.55	4.42	-106.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=N2)=C1	REAL300006710927	0	41	-2.0	-148.55	352.19	7.17	-141.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300006710928	0	44	-2.0	-146.32	361.51	8.31	-138.01
CC1=C(CC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006710953	1	44	-2.0	-136.45	371.37	5.59	-130.86
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006710978	0	31	-2.0	-104.51	288.85	5.85	-98.66
CCOC1=CC(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC(Cl)=C1[O-]	REAL300006711036	1	38	-2.0	-107.69	329.74	6.17	-101.52
CC1[C@@H](C)[C@@]1(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006711039	0	41	-2.0	-147.11	357.33	7.95	-139.16
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=N2)C=C1	REAL300006711043	0	42	-2.0	-142.00	353.04	5.65	-136.35
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CO1	REAL300006711053	1	35	-2.0	-114.00	318.62	1.07	-112.93
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006711147	0	34	-2.0	-93.96	293.54	3.46	-90.50
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006711147	1	34	-2.0	-93.98	293.60	3.46	-90.52
CC1[C@@H](C)[C@@]1(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006711346	1	39	-2.0	-112.97	317.38	5.26	-107.71
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006711499	0	31	-2.0	-127.16	297.24	7.37	-119.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300006712636	1	46	-2.0	-124.60	405.09	12.85	-111.75
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300006712989	1	47	-2.0	-113.18	403.50	6.35	-106.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300006712990	1	38	-2.0	-111.33	349.89	3.81	-107.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300006713474	1	45	-2.0	-101.75	395.42	8.20	-93.55
CC1=C(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006713668	1	47	-2.0	-110.27	406.27	8.38	-101.89
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300006714564	1	34	-2.0	-103.77	300.45	7.52	-96.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006714573	1	37	-2.0	-105.63	332.58	9.74	-95.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300006714658	0	40	-2.0	-113.88	359.13	5.64	-108.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006714683	1	39	-2.0	-125.88	346.24	7.04	-118.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300006714733	0	50	-2.0	-136.40	418.23	11.41	-124.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)C=C1	REAL300006714734	0	50	-2.0	-132.78	418.16	11.41	-121.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300006714799	0	44	-2.0	-128.59	383.57	10.13	-118.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006714804	0	41	-2.0	-127.13	364.38	9.56	-117.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006714831	1	39	-2.0	-130.07	336.63	10.89	-119.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300006714967	0	44	-2.0	-135.43	379.71	10.15	-125.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300006714968	0	47	-2.0	-131.23	393.79	11.12	-120.11
CC1=C(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006715025	1	47	-2.0	-108.20	405.54	8.33	-99.87
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006715078	0	34	-2.0	-96.39	309.78	7.71	-88.68
COC1=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300006715088	1	37	-2.0	-102.26	334.11	2.19	-100.07
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300006715162	0	37	-2.0	-96.11	325.99	6.86	-89.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300006715162	1	37	-2.0	-96.12	326.04	6.88	-89.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006715191	0	34	-2.0	-99.55	310.25	8.00	-91.55
CCOC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300006715194	1	41	-2.0	-105.47	364.86	9.15	-96.32
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)C=C1	REAL300006715200	0	45	-2.0	-132.00	387.44	8.79	-123.21
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CO1	REAL300006715215	1	38	-2.0	-106.57	340.95	3.19	-103.38
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006715351	0	37	-2.0	-96.60	332.00	7.41	-89.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006715351	1	37	-2.0	-96.59	332.07	7.41	-89.18
COCC1=NC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]1	REAL300006715606	1	39	-2.0	-112.90	334.70	3.54	-109.36
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006715648	1	42	-2.0	-126.36	361.98	7.60	-118.76
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006715889	0	34	-2.0	-103.44	324.33	9.81	-93.63
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720125	1	41	-2.0	-105.24	359.96	9.05	-96.19
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720174	0	41	-2.0	-101.34	357.62	7.03	-94.31
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720174	1	41	-2.0	-101.38	357.68	7.05	-94.33
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720232	1	46	-2.0	-119.36	392.96	8.55	-110.81
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720245	1	40	-2.0	-108.90	349.01	7.08	-101.82
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720313	1	46	-2.0	-141.39	394.09	11.19	-130.20
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720483	0	41	-2.0	-101.93	376.20	9.52	-92.41
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)NC(=O)[N-]C1=O	REAL300006720495	1	44	-2.0	-102.67	382.32	4.59	-98.08
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720549	0	44	-2.0	-109.16	378.91	7.87	-101.29
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720549	1	44	-2.0	-109.14	378.96	7.89	-101.25
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720571	0	41	-2.0	-103.22	370.00	9.46	-93.76
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300006720797	0	39	-2.0	-108.49	341.01	7.58	-100.91
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(=O)[N-]1	REAL300006720812	1	46	-2.0	-118.82	394.93	6.18	-112.64
CC1=C(CCC(=O)N2CC(C)(C)CC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006721547	1	54	-2.0	-112.39	420.14	7.62	-104.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300006722097	1	46	-2.0	-127.75	384.71	10.55	-117.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])O1	REAL300006722458	1	47	-2.0	-120.56	385.60	4.46	-116.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])O1	REAL300006722459	1	38	-2.0	-117.58	330.83	2.02	-115.56
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)(C)CC2C(=O)[O-])=CS1	REAL300006722958	1	45	-2.0	-109.50	375.06	5.88	-103.62
CC1=C(CC(=O)N2CC(C)(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006723150	1	47	-2.0	-128.89	385.07	6.02	-122.87
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006723924	1	37	-2.0	-123.33	319.04	7.07	-116.26
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300006724000	0	40	-2.0	-116.65	342.44	3.43	-113.22
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006724018	1	39	-2.0	-123.06	316.75	4.29	-118.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3C(=O)[O-])=N2)=C1	REAL300006724066	0	50	-2.0	-143.08	396.75	9.13	-133.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3C(=O)[O-])=N2)C=C1	REAL300006724067	0	50	-2.0	-138.96	397.43	9.17	-129.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300006724119	0	44	-2.0	-135.00	364.70	7.83	-127.17
CC1(C)CC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006724124	0	41	-2.0	-132.44	343.67	7.31	-125.13
CC1(C)CC(C(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006724142	1	39	-2.0	-134.34	317.68	8.74	-125.60
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006724160	0	41	-2.0	-102.37	362.33	4.65	-97.72
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006724200	0	33	-2.0	-107.36	298.03	4.35	-103.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3C(=O)[O-])=N2)=C1	REAL300006724248	0	44	-2.0	-143.16	362.02	7.89	-135.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300006724249	0	47	-2.0	-144.14	378.91	8.55	-135.59
CC1=C(CC(=O)N2CC(C)(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006724291	1	47	-2.0	-127.37	385.26	6.01	-121.36
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006724326	0	34	-2.0	-106.62	303.43	5.88	-100.74
COC1=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006724332	1	37	-2.0	-110.67	312.92	0.08	-110.59
CCOC1=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006724410	1	41	-2.0	-114.25	346.74	6.81	-107.44
CC1(C)CC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006724413	0	44	-2.0	-152.93	374.99	8.19	-144.74
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CC3C(=O)[O-])=N2)C=C1	REAL300006724418	0	45	-2.0	-137.64	366.72	6.55	-131.09
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)(C)CC2C(=O)[O-])=CO1	REAL300006724429	1	38	-2.0	-112.26	327.49	1.09	-111.17
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006724535	0	37	-2.0	-100.93	313.13	5.22	-95.71
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006724535	1	37	-2.0	-100.94	313.20	5.23	-95.71
COCC1=NC=C(C(=O)N2CC(C)(C)CC2C(=O)[O-])C(=O)[N-]1	REAL300006724746	1	39	-2.0	-130.42	328.34	2.64	-127.78
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006724780	1	42	-2.0	-131.61	340.29	5.19	-126.42
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006724975	0	34	-2.0	-119.32	313.14	7.08	-112.24
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006728045	1	35	-2.0	-104.46	313.07	8.35	-96.11
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300006728099	0	35	-2.0	-91.05	311.15	5.78	-85.27
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300006728099	1	35	-2.0	-91.03	311.20	5.79	-85.24
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CN=CC([O-])=C1	REAL300006728182	1	34	-2.0	-106.24	301.88	6.44	-99.80
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006728269	1	40	-2.0	-120.43	344.48	10.30	-110.13
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006728484	0	35	-2.0	-101.09	323.71	8.72	-92.37
COC1=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006728497	1	38	-2.0	-99.05	336.21	2.54	-96.51
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL300006728564	0	38	-2.0	-99.56	332.65	6.57	-92.99
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL300006728564	1	38	-2.0	-99.58	332.71	6.59	-92.99
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006728591	0	35	-2.0	-101.85	322.86	8.84	-93.01
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006728714	0	38	-2.0	-89.74	339.94	6.80	-82.94
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006728714	1	38	-2.0	-89.69	340.01	6.81	-82.88
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=C[N-]N=CC1=O	REAL300006728883	0	33	-2.0	-104.02	300.27	5.80	-98.22
COCC1=NC=C(C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C(=O)[N-]1	REAL300006728903	1	40	-2.0	-116.34	354.29	4.37	-111.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006734423	0	50	-2.0	-119.12	389.56	5.89	-113.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006734712	0	50	-2.0	-104.17	393.19	6.22	-97.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)O1	REAL300006735156	1	44	-2.0	-99.10	358.45	2.47	-96.63
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006735411	0	47	-2.0	-102.67	371.72	5.33	-97.34
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=CS1	REAL300006735748	1	51	-2.0	-96.47	402.31	6.89	-89.58
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006735972	0	47	-2.0	-94.52	375.48	5.35	-89.17
CC1=C(CC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006735974	1	53	-2.0	-107.54	411.25	7.04	-100.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(C)(C)C(=O)[O-])CC1	REAL300006735977	0	53	-2.0	-102.56	413.32	6.97	-95.59
CC1=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006736058	1	53	-2.0	-103.50	399.48	6.72	-96.78
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300006737103	1	40	-2.0	-91.83	311.51	6.31	-85.52
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006737115	1	43	-2.0	-101.88	347.82	7.67	-94.21
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300006737223	0	46	-2.0	-94.16	366.55	4.33	-89.83
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006737259	1	45	-2.0	-101.57	352.15	5.80	-95.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=N2)=C1	REAL300006737316	0	56	-2.0	-113.10	424.59	10.02	-103.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=N2)C=C1	REAL300006737317	0	56	-2.0	-110.73	424.59	10.02	-100.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=N1	REAL300006737411	0	50	-2.0	-108.45	397.41	8.64	-99.81
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006737416	0	47	-2.0	-112.44	372.09	8.21	-104.23
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006737457	1	45	-2.0	-110.40	346.41	9.34	-101.06
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=N2)=C1	REAL300006737620	0	50	-2.0	-117.10	389.35	8.77	-108.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=N1	REAL300006737621	0	53	-2.0	-115.05	405.63	9.88	-105.17
CC1=C(CC(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006737698	1	53	-2.0	-103.35	411.42	7.01	-96.34
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006737760	0	40	-2.0	-88.93	327.31	6.88	-82.05
COC1=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006737777	1	43	-2.0	-95.60	341.30	0.85	-94.75
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300006737876	0	43	-2.0	-101.20	330.70	5.53	-95.67
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300006737876	1	43	-2.0	-101.25	330.75	5.54	-95.71
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006737913	0	40	-2.0	-89.01	321.31	6.79	-82.22
CCOC1=CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006737917	1	47	-2.0	-97.37	373.76	7.85	-89.52
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(C)(C)C(=O)[O-])CC3)=N2)C=C1	REAL300006737927	0	51	-2.0	-111.15	395.89	7.47	-103.68
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)=CO1	REAL300006737951	1	44	-2.0	-96.32	354.39	2.12	-94.20
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006738114	0	43	-2.0	-90.08	342.26	5.86	-84.22
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006738114	1	43	-2.0	-90.05	342.32	5.86	-84.19
COCC1=NC=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300006738447	1	45	-2.0	-93.71	347.63	3.33	-90.38
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006738495	1	48	-2.0	-101.19	368.01	6.35	-94.84
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006738814	0	40	-2.0	-98.37	341.87	7.75	-90.62
CC1=C(C(=O)N2CCC(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006739121	0	48	-2.0	-109.68	382.76	5.96	-103.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)O1	REAL300006741250	1	48	-2.0	-88.47	380.40	3.72	-84.75
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2CCCC2C(=O)[O-])CC1	REAL300006741437	0	51	-2.0	-114.67	400.32	6.80	-107.87
CC1=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006741954	1	57	-2.0	-122.48	430.38	8.28	-114.20
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300006742924	1	44	-2.0	-97.67	334.81	7.70	-89.97
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006742937	1	47	-2.0	-114.78	376.43	9.12	-105.66
O=C([O-])C1CCCC1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300006742992	0	44	-2.0	-97.62	344.67	6.38	-91.24
O=C([O-])C1CCCC1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300006742992	1	44	-2.0	-97.67	344.72	6.39	-91.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=N1	REAL300006743064	0	50	-2.0	-100.21	397.83	5.87	-94.34
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006743094	1	49	-2.0	-120.13	382.92	7.33	-112.80
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300006743132	1	43	-2.0	-95.50	335.78	6.08	-89.42
O=C([O-])C1CCCC1C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006743284	1	49	-2.0	-118.18	370.00	10.37	-107.81
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006743570	0	44	-2.0	-101.76	360.44	8.46	-93.30
COC1=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006743589	1	47	-2.0	-104.79	372.02	2.39	-102.40
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300006743682	0	47	-2.0	-107.50	364.31	7.13	-100.37
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300006743682	1	47	-2.0	-107.50	364.36	7.15	-100.35
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006743716	0	44	-2.0	-94.05	344.62	8.18	-85.87
CCOC1=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006743719	1	51	-2.0	-106.19	405.28	9.44	-96.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)=CO1	REAL300006743751	1	48	-2.0	-107.26	391.04	3.85	-103.41
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006743907	0	47	-2.0	-91.54	373.85	7.40	-84.14
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006743907	1	47	-2.0	-91.52	373.92	7.41	-84.11
O=C([O-])C1CCCC1C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300006744178	0	42	-2.0	-95.89	325.42	6.31	-89.58
COCC1=NC=C(C(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006744210	1	49	-2.0	-117.64	385.01	4.92	-112.72
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006744256	1	52	-2.0	-102.72	387.42	7.65	-95.07
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006744550	0	44	-2.0	-110.14	370.47	9.21	-100.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)O1	REAL300006746163	1	48	-2.0	-87.46	382.05	3.64	-83.82
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2CC(CC(=O)[O-])CCC2C1	REAL300006746350	0	51	-2.0	-99.77	401.21	6.84	-92.93
CC1=C(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006746867	1	57	-2.0	-102.35	432.19	8.29	-94.06
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CCC2C1	REAL300006747837	1	44	-2.0	-93.19	345.44	7.89	-85.30
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CCC2C1	REAL300006747850	1	47	-2.0	-99.46	375.57	10.00	-89.46
O=C([O-])CC1CCC2CN(C(=O)CCC3=N[N-]N=N3)CCC2C1	REAL300006747905	0	44	-2.0	-88.38	342.99	6.31	-82.07
O=C([O-])CC1CCC2CN(C(=O)CCC3=NN=N[N-]3)CCC2C1	REAL300006747905	1	44	-2.0	-88.37	343.05	6.33	-82.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)C=N1	REAL300006747977	0	50	-2.0	-97.94	400.50	5.99	-91.95
O=C([O-])CC1CCC2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CCC2C1	REAL300006748007	1	49	-2.0	-100.42	384.78	7.28	-93.14
O=C([O-])CC1CCC2CN(C(=O)C3=CN=CC([O-])=C3)CCC2C1	REAL300006748045	1	43	-2.0	-94.94	333.80	5.92	-89.02
O=C([O-])CC1CCC2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCC2C1	REAL300006748197	1	49	-2.0	-106.78	369.69	10.58	-96.20
O=C([O-])CC1CCC2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCC2C1	REAL300006748483	0	44	-2.0	-91.39	360.56	8.41	-82.98
COC1=C(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)NC(=O)[N-]C1=O	REAL300006748502	1	47	-2.0	-90.54	373.63	2.38	-88.16
O=C([O-])CC1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC2C1	REAL300006748595	0	47	-2.0	-96.97	364.47	7.09	-89.88
O=C([O-])CC1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC2C1	REAL300006748595	1	47	-2.0	-97.00	364.53	7.10	-89.90
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CCC2C1	REAL300006748629	0	44	-2.0	-89.47	355.23	8.37	-81.10
CCOC1=CC(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)=CC(Cl)=C1[O-]	REAL300006748632	1	51	-2.0	-95.56	405.42	9.40	-86.16
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)=CO1	REAL300006748664	1	48	-2.0	-95.19	389.40	3.79	-91.40
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2C1	REAL300006748820	0	47	-2.0	-87.85	365.19	7.09	-80.76
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2C1	REAL300006748820	1	47	-2.0	-87.81	365.26	7.09	-80.72
O=C([O-])CC1CCC2CN(C(=O)C3=C[N-]N=CC3=O)CCC2C1	REAL300006749091	0	42	-2.0	-89.79	332.61	6.37	-83.42
COCC1=NC=C(C(=O)N2CCC3CC(CC(=O)[O-])CCC3C2)C(=O)[N-]1	REAL300006749123	1	49	-2.0	-99.20	386.63	4.94	-94.26
O=C([O-])CC1CCC2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCC2C1	REAL300006749169	1	52	-2.0	-100.35	400.66	7.92	-92.43
O=C([O-])CC1CCC2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC2C1	REAL300006749463	0	44	-2.0	-95.73	371.38	9.79	-85.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=C1	REAL300006751204	0	49	-2.0	-118.30	396.47	6.77	-111.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C2(C(=O)[O-])CCC2)CC1	REAL300006751468	0	49	-2.0	-119.50	396.44	7.01	-112.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)O1	REAL300006751879	1	43	-2.0	-96.11	363.32	3.34	-92.77
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C2(C(=O)[O-])CCC2)CC1	REAL300006752114	0	46	-2.0	-116.12	371.03	6.09	-110.03
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=CS1	REAL300006752443	1	50	-2.0	-100.12	409.02	7.73	-92.39
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC=C(C2(C(=O)[O-])CCC2)CC1	REAL300006752657	0	46	-2.0	-109.83	381.49	6.19	-103.64
CC1=C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006752746	1	52	-2.0	-124.34	407.84	7.49	-116.85
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)CCC1	REAL300006753800	1	39	-2.0	-104.61	316.39	7.12	-97.49
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)CCC1	REAL300006753813	1	42	-2.0	-104.95	348.05	9.41	-95.54
O=C([O-])C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300006753854	0	39	-2.0	-87.53	318.08	5.64	-81.89
O=C([O-])C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300006753854	1	39	-2.0	-87.54	318.14	5.65	-81.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)C=N1	REAL300006753942	0	45	-2.0	-105.70	372.42	5.16	-100.54
O=C([O-])C1(C2=CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)CCC1	REAL300006753978	1	44	-2.0	-121.92	358.48	6.65	-115.27
O=C([O-])C1(C2=CCN(C(=O)C3=CN=CC([O-])=C3)CC2)CCC1	REAL300006754022	1	38	-2.0	-97.13	307.12	5.29	-91.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=N1	REAL300006754134	0	49	-2.0	-120.04	397.94	10.03	-110.01
O=C([O-])C1(C2=CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)CCC1	REAL300006754139	0	46	-2.0	-122.54	377.13	9.06	-113.48
O=C([O-])C1(C2=CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)CCC1	REAL300006754185	1	44	-2.0	-124.16	350.14	10.13	-114.03
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC=C(C4(C(=O)[O-])CCC4)CC3)=N2)=C1	REAL300006754354	0	49	-2.0	-128.94	395.47	9.65	-119.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=N1	REAL300006754355	0	52	-2.0	-126.17	410.34	10.56	-115.61
O=C([O-])C1(C2=CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)CCC1	REAL300006754491	0	39	-2.0	-99.64	334.31	7.70	-91.94
COC1=C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)NC(=O)[N-]C1=O	REAL300006754509	1	42	-2.0	-99.41	347.49	1.67	-97.74
O=C([O-])C1(C2=CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCC1	REAL300006754609	0	42	-2.0	-95.67	339.62	6.44	-89.23
O=C([O-])C1(C2=CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCC1	REAL300006754609	1	42	-2.0	-95.67	339.68	6.45	-89.22
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)CCC1	REAL300006754649	0	39	-2.0	-100.84	326.18	7.61	-93.23
CCOC1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=CC(Cl)=C1[O-]	REAL300006754653	1	46	-2.0	-104.91	379.16	8.68	-96.23
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC=C(C4(C(=O)[O-])CCC4)CC3)=N2)C=C1	REAL300006754662	0	50	-2.0	-123.79	400.20	8.29	-115.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)=CO1	REAL300006754686	1	43	-2.0	-97.33	362.17	3.00	-94.33
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCC1	REAL300006754854	0	42	-2.0	-91.93	345.64	6.67	-85.26
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCC1	REAL300006754854	1	42	-2.0	-91.85	345.71	6.67	-85.18
O=C([O-])C1(C2=CCN(C(=O)C3=C[N-]N=CC3=O)CC2)CCC1	REAL300006755153	0	37	-2.0	-107.58	306.57	5.66	-101.92
COCC1=NC=C(C(=O)N2CC=C(C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]1	REAL300006755189	1	44	-2.0	-100.18	353.50	4.17	-96.01
O=C([O-])C1(C2=CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)CCC1	REAL300006755239	1	47	-2.0	-100.74	366.50	7.07	-93.67
O=C([O-])C1(C2=CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CCC1	REAL300006755565	0	39	-2.0	-112.57	341.15	9.47	-103.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)=C1	REAL300006757451	0	51	-2.0	-103.45	399.97	6.68	-96.77
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2(C(=O)[O-])CCC2)CC1	REAL300006757706	0	51	-2.0	-104.40	400.06	6.91	-97.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)O1	REAL300006758102	1	45	-2.0	-100.86	366.10	3.21	-97.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2(C(=O)[O-])CCC2)CC1	REAL300006758332	0	48	-2.0	-103.02	378.59	6.02	-97.00
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)=CS1	REAL300006758651	1	52	-2.0	-98.44	412.39	7.69	-90.75
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2(C(=O)[O-])CCC2)CC1	REAL300006758856	0	48	-2.0	-96.57	384.99	6.09	-90.48
CC1=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006758945	1	54	-2.0	-95.79	401.17	7.38	-88.41
O=C([O-])C1(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)CCC1	REAL300006759986	1	41	-2.0	-97.63	321.94	7.10	-90.53
O=C([O-])C1(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)CCC1	REAL300006759999	1	44	-2.0	-125.74	359.23	8.47	-117.27
O=C([O-])C1(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300006760040	0	41	-2.0	-92.87	321.47	5.58	-87.29
O=C([O-])C1(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300006760040	1	41	-2.0	-92.87	321.53	5.60	-87.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)C=N1	REAL300006760127	0	47	-2.0	-100.69	377.54	5.21	-95.48
O=C([O-])C1(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)CCC1	REAL300006760162	1	46	-2.0	-101.66	361.17	6.53	-95.13
O=C([O-])C1(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)CCC1	REAL300006760204	1	40	-2.0	-89.91	310.62	5.22	-84.69
O=C([O-])C1(C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)CCC1	REAL300006760318	0	48	-2.0	-113.60	380.40	8.96	-104.64
O=C([O-])C1(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)CCC1	REAL300006760364	1	46	-2.0	-114.57	357.95	9.52	-105.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)=N1	REAL300006760531	0	54	-2.0	-112.67	419.87	9.97	-102.70
O=C([O-])C1(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)CCC1	REAL300006760666	0	41	-2.0	-93.99	337.25	7.62	-86.37
COC1=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)NC(=O)[N-]C1=O	REAL300006760684	1	44	-2.0	-91.13	349.70	1.55	-89.58
O=C([O-])C1(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCC1	REAL300006760784	0	44	-2.0	-95.35	342.94	6.37	-88.98
O=C([O-])C1(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCC1	REAL300006760784	1	44	-2.0	-95.36	343.00	6.38	-88.98
O=C([O-])C1(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)CCC1	REAL300006760824	0	41	-2.0	-94.25	331.74	7.58	-86.67
CCOC1=CC(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)=CC(Cl)=C1[O-]	REAL300006760827	1	48	-2.0	-98.66	380.69	8.58	-90.08
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4(C(=O)[O-])CCC4)CC3)=N2)C=C1	REAL300006760836	0	52	-2.0	-112.10	403.46	8.19	-103.91
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)=CO1	REAL300006760860	1	45	-2.0	-90.74	365.88	2.92	-87.82
O=C([O-])C1(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCC1	REAL300006761028	0	44	-2.0	-86.16	349.36	6.50	-79.66
O=C([O-])C1(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCC1	REAL300006761028	1	44	-2.0	-86.16	349.43	6.51	-79.65
O=C([O-])C1(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)CCC1	REAL300006761321	0	39	-2.0	-91.11	309.25	5.55	-85.56
COCC1=NC=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]1	REAL300006761356	1	46	-2.0	-125.02	367.83	4.28	-120.74
O=C([O-])C1(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)CCC1	REAL300006761406	1	49	-2.0	-94.79	369.67	6.97	-87.82
O=C([O-])C1(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CCC1	REAL300006761726	0	41	-2.0	-100.22	348.75	8.46	-91.76
CC1=C(C(=O)N2CCC(C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006762028	0	49	-2.0	-105.69	389.65	6.36	-99.33
CC1=C(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300006762597	0	52	-2.0	-102.04	408.48	6.50	-95.54
CC1=C(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006762597	1	52	-2.0	-102.04	408.48	6.50	-95.54
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300006762952	0	42	-2.0	-104.62	351.38	3.77	-100.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006763262	0	42	-2.0	-102.07	351.33	3.98	-98.09
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300006763312	1	44	-2.0	-112.56	371.92	9.35	-103.21
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300006763764	1	45	-2.0	-88.72	373.07	2.71	-86.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300006763765	1	36	-2.0	-88.05	317.62	0.31	-87.74
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300006763996	0	46	-2.0	-109.86	386.72	1.98	-107.88
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300006764042	0	39	-2.0	-104.15	330.06	3.06	-101.09
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOC(C)(C(=O)[O-])C2)=CS1	REAL300006764414	1	43	-2.0	-107.45	362.31	4.70	-102.75
CC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300006764651	0	39	-2.0	-97.38	336.38	3.16	-94.22
CC1=C(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006764654	1	45	-2.0	-112.01	372.23	4.86	-107.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300006764657	0	45	-2.0	-102.58	372.82	4.77	-97.81
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006764728	1	45	-2.0	-105.62	361.75	4.45	-101.17
CC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)CCO1	REAL300006765492	0	45	-2.0	-104.27	372.68	5.23	-99.04
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300006765686	1	35	-2.0	-98.54	305.97	5.56	-92.98
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CCO1	REAL300006765787	0	38	-2.0	-98.29	328.16	2.25	-96.04
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300006765817	1	37	-2.0	-103.16	313.18	3.63	-99.53
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300006765871	0	48	-2.0	-117.07	385.48	7.85	-109.22
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300006765872	0	48	-2.0	-116.13	385.72	7.90	-108.23
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300006765950	0	42	-2.0	-112.53	358.07	6.40	-106.13
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300006765955	0	39	-2.0	-114.79	331.63	6.00	-108.79
CC1(C(=O)[O-])CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300006765981	1	37	-2.0	-117.55	307.52	6.64	-110.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCO1	REAL300006766001	0	39	-2.0	-88.22	349.58	3.53	-84.69
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(I)C([O-])=C2)CCO1	REAL300006766050	0	31	-2.0	-92.29	288.64	3.17	-89.12
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300006766115	0	42	-2.0	-120.55	350.28	6.62	-113.93
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300006766116	0	45	-2.0	-118.75	366.68	7.72	-111.03
CC1=C(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006766176	1	45	-2.0	-110.60	372.40	4.85	-105.75
CC1(C(=O)[O-])CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300006766221	0	32	-2.0	-89.32	287.92	4.67	-84.65
COC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006766229	1	35	-2.0	-90.25	302.03	-1.35	-91.60
CCOC1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006766335	1	39	-2.0	-93.68	332.98	5.64	-88.04
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCO1	REAL300006766339	0	42	-2.0	-118.83	360.31	6.81	-112.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300006766347	0	43	-2.0	-116.42	354.70	5.23	-111.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=CO1	REAL300006766367	1	36	-2.0	-90.27	317.24	0.00	-90.27
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300006766498	0	35	-2.0	-85.53	300.47	3.62	-81.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300006766498	1	35	-2.0	-85.49	300.54	3.62	-81.87
COCC1=NC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]1	REAL300006766775	1	37	-2.0	-98.21	311.59	1.13	-97.08
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300006766816	1	40	-2.0	-97.69	322.46	4.09	-93.60
CC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300006767076	0	32	-2.0	-101.50	299.69	5.77	-95.73
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006767336	0	40	-2.0	-107.90	342.06	3.53	-104.37
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=C1	REAL300006768762	0	48	-2.0	-116.10	386.76	6.04	-110.06
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006769061	0	48	-2.0	-116.40	385.70	6.24	-110.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006769519	1	51	-2.0	-95.90	406.74	5.10	-90.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)O1	REAL300006769520	1	42	-2.0	-95.03	353.12	2.56	-92.47
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006769781	0	45	-2.0	-115.45	365.31	5.37	-110.08
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CS1	REAL300006770121	1	49	-2.0	-111.51	397.06	6.97	-104.54
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300006770351	0	45	-2.0	-107.72	371.74	5.45	-102.27
CC1=C(CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006770353	1	51	-2.0	-123.01	408.08	7.14	-115.87
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C(C)(C)C(=O)[O-])CC1	REAL300006770356	0	51	-2.0	-118.11	408.30	7.06	-111.05
CC1=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006770439	1	51	-2.0	-120.85	396.56	6.74	-114.11
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300006771497	1	38	-2.0	-101.76	307.92	6.40	-95.36
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300006771509	1	41	-2.0	-116.43	339.94	8.34	-108.09
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300006771615	0	44	-2.0	-100.13	362.87	4.42	-95.71
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300006771650	1	43	-2.0	-118.32	347.80	5.91	-112.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=N2)=C1	REAL300006771708	0	54	-2.0	-123.97	421.74	10.17	-113.80
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=N2)C=C1	REAL300006771709	0	54	-2.0	-121.73	420.15	10.16	-111.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=N1	REAL300006771805	0	48	-2.0	-120.10	390.29	9.30	-110.80
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300006771810	0	45	-2.0	-121.54	367.89	8.32	-113.22
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300006771852	1	43	-2.0	-122.31	339.77	9.42	-112.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=N2)=C1	REAL300006772017	0	48	-2.0	-128.06	386.26	8.91	-119.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=N1	REAL300006772018	0	51	-2.0	-124.53	398.66	9.81	-114.72
CC1=C(CC(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006772095	1	51	-2.0	-122.06	409.18	7.20	-114.86
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300006772157	0	38	-2.0	-95.26	322.60	6.92	-88.34
COC1=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300006772174	1	41	-2.0	-95.69	337.03	0.94	-94.75
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300006772273	0	41	-2.0	-103.16	328.71	5.68	-97.48
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300006772273	1	41	-2.0	-103.13	328.77	5.69	-97.44
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300006772310	0	38	-2.0	-97.91	317.72	6.89	-91.02
CCOC1=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006772314	1	45	-2.0	-102.07	368.54	7.94	-94.13
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC=C(C(C)(C)C(=O)[O-])CC3)=N2)C=C1	REAL300006772324	0	49	-2.0	-122.03	389.86	7.54	-114.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)=CO1	REAL300006772348	1	42	-2.0	-95.23	351.92	2.25	-92.98
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300006772514	0	41	-2.0	-89.21	335.21	5.94	-83.27
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300006772514	1	41	-2.0	-89.28	335.28	5.95	-83.33
COCC1=NC=C(C(=O)N2CC=C(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300006772849	1	43	-2.0	-98.05	342.13	3.37	-94.68
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300006772897	1	46	-2.0	-98.29	355.82	6.33	-91.96
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300006773219	0	38	-2.0	-111.14	333.62	8.45	-102.69
CC1=C(CCC(=O)N2CC3CC3(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006774391	1	49	-2.0	-105.43	398.32	7.21	-98.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300006774737	0	39	-2.0	-98.62	337.56	4.75	-93.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006775041	0	39	-2.0	-103.96	337.76	4.97	-98.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300006775087	1	41	-2.0	-128.68	361.76	10.10	-118.58
O=C([O-])C12CC1CN(C(=O)C1=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C1)C2	REAL300006775269	1	43	-2.0	-105.49	374.51	6.76	-98.73
O=C([O-])C12CC1CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C1)C2	REAL300006775270	1	43	-2.0	-96.13	375.53	7.04	-89.09
CC1=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006775283	0	39	-2.0	-82.15	356.85	5.26	-76.89
O=C([O-])C12CC1CN(C(=O)C1=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C1)C2	REAL300006775511	0	40	-2.0	-109.86	366.43	5.76	-104.10
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)O1	REAL300006775530	1	42	-2.0	-88.14	361.07	3.74	-84.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)O1	REAL300006775531	1	33	-2.0	-87.44	306.31	1.30	-86.14
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300006775768	0	43	-2.0	-109.07	371.66	2.97	-106.10
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006775813	0	36	-2.0	-102.59	316.30	4.08	-98.51
O=C([O-])C12CC1CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C1)C2	REAL300006775821	0	40	-2.0	-99.70	367.46	6.05	-93.65
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CC3(C(=O)[O-])C2)=CS1	REAL300006776164	1	40	-2.0	-116.18	352.15	5.42	-110.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006776369	0	36	-2.0	-95.61	322.78	4.16	-91.45
CC1=C(CC(=O)N2CC3CC3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006776376	1	42	-2.0	-126.22	362.10	5.57	-120.65
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006776381	0	42	-2.0	-104.47	359.26	5.76	-98.71
CC1=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006776439	1	42	-2.0	-103.69	350.38	5.51	-98.18
O=C([O-])C12CC1CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C1)C2	REAL300006776539	1	43	-2.0	-102.50	374.65	6.75	-95.75
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC2CC2(C(=O)[O-])C1	REAL300006777064	0	42	-2.0	-106.78	362.19	6.35	-100.43
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300006777223	1	32	-2.0	-96.73	292.19	7.38	-89.35
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300006777308	0	35	-2.0	-96.68	315.00	3.19	-93.49
O=C([O-])C12CC1CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C1)C2	REAL300006777369	1	42	-2.0	-98.88	369.69	4.97	-93.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CC4(C(=O)[O-])C3)=N2)=C1	REAL300006777384	0	45	-2.0	-114.71	374.47	8.88	-105.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC4(C(=O)[O-])C3)=N2)C=C1	REAL300006777385	0	45	-2.0	-113.41	374.78	8.85	-104.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CC3(C(=O)[O-])C2)=N1	REAL300006777452	0	39	-2.0	-110.81	340.95	7.86	-102.95
O=C([O-])C12CC1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300006777456	0	36	-2.0	-111.85	320.62	7.02	-104.83
O=C([O-])C12CC1CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C2	REAL300006777492	0	36	-2.0	-95.73	336.96	4.18	-91.55
O=C([O-])C12CC1CN(C(=O)C1=CN=C(I)C([O-])=C1)C2	REAL300006777528	0	28	-2.0	-94.08	276.81	3.89	-90.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CC4(C(=O)[O-])C3)=N2)=C1	REAL300006777577	0	39	-2.0	-117.99	338.96	7.60	-110.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CC3(C(=O)[O-])C2)=N1	REAL300006777578	0	42	-2.0	-116.30	355.58	8.69	-107.61
CC1=C(CC(=O)N2CC3CC3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006777617	1	42	-2.0	-124.48	361.79	5.54	-118.94
CCOC1=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006777720	1	36	-2.0	-92.08	320.21	6.61	-85.47
O=C([O-])C12CC1CN(C(=O)C1=NN(C3=CC=CC=C3C(F)(F)F)C=C1[O-])C2	REAL300006777724	0	39	-2.0	-118.83	346.57	8.21	-110.62
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC4(C(=O)[O-])C3)=N2)C=C1	REAL300006777731	0	40	-2.0	-113.58	344.06	6.23	-107.35
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CC3(C(=O)[O-])C2)=CO1	REAL300006777748	1	33	-2.0	-96.75	305.11	0.62	-96.13
CC1=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C2=C([N-]C=NC2=O)O1	REAL300006777824	0	33	-2.0	-101.40	299.89	3.01	-98.39
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300006777865	0	32	-2.0	-83.89	288.87	4.62	-79.27
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300006777865	1	32	-2.0	-83.87	288.94	4.63	-79.24
O=C([O-])C12CC1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300006778115	1	37	-2.0	-95.77	312.07	5.07	-90.70
O=C([O-])C12CC1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300006778312	0	29	-2.0	-99.42	286.47	7.29	-92.13
CC1=C(C(=O)N2CC3CC3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006778526	0	37	-2.0	-125.19	331.82	4.32	-120.87
CC([N-]C(=O)C(F)(F)C1=CC=CC=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006782377	1	39	-2.0	-126.22	352.85	9.18	-117.04
CC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783140	1	37	-2.0	-100.21	332.55	7.55	-92.66
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783183	0	37	-2.0	-96.89	330.02	5.59	-91.30
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783183	1	37	-2.0	-96.87	330.07	5.61	-91.26
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783238	1	42	-2.0	-110.11	365.97	7.06	-103.05
CC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783250	1	36	-2.0	-105.77	321.39	5.67	-100.10
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783525	0	40	-2.0	-106.01	351.50	6.38	-99.63
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783525	1	40	-2.0	-106.02	351.56	6.39	-99.63
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783544	0	37	-2.0	-98.15	342.34	8.04	-90.11
CC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783746	0	35	-2.0	-100.13	313.61	6.09	-94.04
COCC1=NC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(=O)[N-]1	REAL300006783759	1	42	-2.0	-109.06	367.36	4.74	-104.32
CC([N-]C(=O)C(F)(F)C1=CC=CN=C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300006783812	1	38	-2.0	-121.72	347.82	7.38	-114.34
CN1C=C(C(F)(F)C(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300006784117	1	39	-2.0	-124.08	357.31	6.97	-117.11
CC1=C(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006785193	1	51	-2.0	-110.36	403.45	6.82	-103.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300006785722	1	43	-2.0	-102.64	366.46	9.94	-92.70
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006785869	1	45	-2.0	-108.49	383.01	7.04	-101.45
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006785870	1	45	-2.0	-105.16	383.23	7.03	-98.13
CC1=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006785881	0	41	-2.0	-91.08	364.48	5.22	-85.86
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006786065	0	42	-2.0	-106.49	374.95	6.04	-100.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	REAL300006786082	1	44	-2.0	-104.34	370.41	3.26	-101.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	REAL300006786083	1	35	-2.0	-102.41	314.95	0.85	-101.56
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006786311	0	42	-2.0	-103.38	375.15	6.04	-97.34
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CS1	REAL300006786565	1	42	-2.0	-102.26	356.66	5.25	-97.01
CC1=C(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006786737	1	44	-2.0	-139.47	368.14	5.22	-134.25
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006786866	1	45	-2.0	-95.96	383.20	7.02	-88.94
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006787398	1	34	-2.0	-105.89	298.64	7.60	-98.29
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=N1	REAL300006787464	0	37	-2.0	-112.34	324.22	2.98	-109.36
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006787509	1	44	-2.0	-91.70	378.22	5.26	-86.44
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300006787523	0	47	-2.0	-144.76	383.83	8.02	-136.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006787524	0	47	-2.0	-125.14	382.67	7.82	-117.32
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=N1	REAL300006787571	0	41	-2.0	-127.53	350.31	7.29	-120.24
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006787575	0	38	-2.0	-139.03	329.98	6.16	-132.87
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006787590	1	36	-2.0	-125.37	302.45	7.22	-118.15
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006787606	0	38	-2.0	-87.93	344.78	4.47	-83.46
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006787636	0	30	-2.0	-93.13	283.59	3.79	-89.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300006787668	0	41	-2.0	-147.46	348.32	6.75	-140.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=N1	REAL300006787669	0	44	-2.0	-133.30	364.51	7.96	-125.34
CC1=C(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006787694	1	44	-2.0	-137.62	367.12	5.28	-132.34
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006787719	0	31	-2.0	-94.56	284.32	5.63	-88.93
CCOC1=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006787777	1	38	-2.0	-100.28	329.16	6.62	-93.66
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006787780	0	41	-2.0	-148.26	353.50	7.51	-140.75
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006787784	0	42	-2.0	-124.68	351.95	5.18	-119.50
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CO1	REAL300006787794	1	35	-2.0	-91.34	313.66	0.40	-90.94
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006787888	0	34	-2.0	-97.17	298.50	3.51	-93.66
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006787888	1	34	-2.0	-97.13	298.56	3.51	-93.62
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006788087	1	39	-2.0	-123.22	318.66	5.02	-118.20
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006788240	0	31	-2.0	-120.81	293.26	7.47	-113.34
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300006789541	1	43	-2.0	-133.03	369.71	11.14	-121.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006789894	1	44	-2.0	-94.84	369.17	4.69	-90.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])O1	REAL300006789895	1	35	-2.0	-93.97	315.55	2.15	-91.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(F)(F)CC2C(=O)[O-])=CS1	REAL300006790379	1	42	-2.0	-126.11	360.62	6.70	-119.41
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006791469	1	31	-2.0	-102.68	271.53	6.25	-96.43
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006791478	1	34	-2.0	-130.53	298.20	8.02	-122.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C=N1	REAL300006791563	0	37	-2.0	-106.22	331.06	4.40	-101.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=N2)=C1	REAL300006791638	0	47	-2.0	-140.28	383.97	9.84	-130.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=N2)C=C1	REAL300006791639	0	47	-2.0	-139.45	383.89	9.81	-129.64
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300006791704	0	41	-2.0	-132.88	351.96	8.21	-124.67
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006791709	0	38	-2.0	-138.30	330.12	7.99	-130.31
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006791736	1	36	-2.0	-140.37	305.35	8.10	-132.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=N2)=C1	REAL300006791872	0	41	-2.0	-144.74	348.46	8.56	-136.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300006791873	0	44	-2.0	-137.75	367.16	8.77	-128.98
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006791983	0	31	-2.0	-96.56	294.66	6.81	-89.75
COC1=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006791993	1	34	-2.0	-98.62	299.48	0.49	-98.13
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300006792067	0	34	-2.0	-116.34	291.19	5.40	-110.94
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300006792067	1	34	-2.0	-116.36	291.25	5.42	-110.94
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006792096	0	31	-2.0	-100.91	281.32	6.73	-94.18
CCOC1=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006792099	1	38	-2.0	-105.46	330.59	7.70	-97.76
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(F)CC3C(=O)[O-])=N2)C=C1	REAL300006792105	0	42	-2.0	-139.21	353.18	7.17	-132.04
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(F)(F)CC2C(=O)[O-])=CO1	REAL300006792120	1	35	-2.0	-108.48	315.90	2.16	-106.32
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006792256	0	34	-2.0	-92.31	299.05	5.35	-86.96
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006792256	1	34	-2.0	-92.27	299.11	5.35	-86.92
COCC1=NC=C(C(=O)N2CCC(F)(F)CC2C(=O)[O-])C(=O)[N-]1	REAL300006792511	1	36	-2.0	-108.95	304.13	3.18	-105.77
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006792794	0	31	-2.0	-124.82	292.51	8.09	-116.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300006794489	1	40	-2.0	-132.03	358.29	10.16	-121.87
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])O1	REAL300006794852	1	41	-2.0	-98.74	361.62	3.25	-95.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])O1	REAL300006794853	1	32	-2.0	-97.51	306.85	0.81	-96.70
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(F)(F)C2C(=O)[O-])=CS1	REAL300006795351	1	39	-2.0	-120.75	350.37	5.27	-115.48
O=C([O-])C1N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1(F)F	REAL300006796391	1	31	-2.0	-111.38	283.59	6.92	-104.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C=N1	REAL300006796475	0	34	-2.0	-111.45	315.10	2.67	-108.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)=C1	REAL300006796545	0	44	-2.0	-138.81	375.03	8.35	-130.46
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)C=C1	REAL300006796546	0	44	-2.0	-137.84	373.65	8.69	-129.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300006796602	0	38	-2.0	-134.38	341.20	7.78	-126.60
O=C([O-])C1N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1(F)F	REAL300006796607	0	35	-2.0	-136.42	321.18	6.49	-129.93
O=C([O-])C1N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1(F)F	REAL300006796629	1	33	-2.0	-138.14	293.66	7.61	-130.53
O=C([O-])C1N(C(=O)C2=CN=C(I)C([O-])=C2)CCC1(F)F	REAL300006796691	0	27	-2.0	-103.83	275.66	3.62	-100.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)=C1	REAL300006796744	0	38	-2.0	-142.93	338.22	7.41	-135.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300006796745	0	41	-2.0	-140.44	354.47	8.67	-131.77
O=C([O-])C1N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1(F)F	REAL300006796834	0	28	-2.0	-107.49	269.61	4.96	-102.53
COC1=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006796840	1	31	-2.0	-99.42	279.54	0.95	-98.47
O=C([O-])C1N(C(=O)C2=CC=C([O-])C(Cl)=C2)CCC1(F)F	REAL300006796925	0	28	-2.0	-102.16	269.74	5.06	-97.10
CCOC1=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006796929	1	35	-2.0	-107.23	320.82	6.10	-101.13
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)C=C1	REAL300006796937	0	39	-2.0	-137.59	342.93	6.06	-131.53
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(F)(F)C2C(=O)[O-])=CO1	REAL300006796949	1	32	-2.0	-96.71	301.03	0.91	-95.80
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(F)F	REAL300006797065	0	31	-2.0	-95.21	289.38	4.11	-91.10
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL300006797065	1	31	-2.0	-95.18	289.44	4.12	-91.06
COCC1=NC=C(C(=O)N2CCC(F)(F)C2C(=O)[O-])C(=O)[N-]1	REAL300006797297	1	33	-2.0	-114.08	303.87	1.72	-112.36
O=C([O-])C1N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1(F)F	REAL300006797551	0	28	-2.0	-110.63	280.76	6.78	-103.85
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C([O-])=C1	REAL300006801368	1	39	-2.0	-124.00	347.54	8.10	-115.90
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300006801779	1	35	-2.0	-100.85	326.50	7.38	-93.47
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300006801849	0	35	-2.0	-99.24	323.02	5.57	-93.67
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300006801849	1	35	-2.0	-99.20	322.96	5.56	-93.64
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300006801925	1	40	-2.0	-97.72	359.58	6.86	-90.86
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300006801943	1	34	-2.0	-102.16	315.35	5.47	-96.69
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300006802050	0	40	-2.0	-124.50	360.64	9.41	-115.09
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300006802284	0	35	-2.0	-95.16	342.51	7.92	-87.24
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300006802379	0	38	-2.0	-112.87	344.52	6.35	-106.52
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300006802379	1	38	-2.0	-112.87	344.46	6.34	-106.53
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300006802408	0	35	-2.0	-97.52	336.30	7.85	-89.67
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300006802536	0	38	-2.0	-91.39	355.08	6.16	-85.23
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300006802536	1	38	-2.0	-91.42	355.02	6.14	-85.28
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300006802719	0	33	-2.0	-90.70	307.56	5.91	-84.79
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=NN2C2=CC=C(F)C=C2)C(=O)[N-]1	REAL300006802742	1	40	-2.0	-97.49	361.41	4.51	-92.98
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300006802778	1	43	-2.0	-97.65	375.32	7.40	-90.25
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803418	0	40	-2.0	-94.93	337.99	5.62	-89.31
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803418	1	40	-2.0	-94.93	337.99	5.62	-89.31
CC1=NN(C2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803419	0	44	-2.0	-101.24	369.06	5.90	-95.34
CC1=NN(C2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803419	1	44	-2.0	-101.24	369.06	5.90	-95.34
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803420	0	40	-2.0	-103.97	336.25	5.57	-98.40
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803420	1	40	-2.0	-103.97	336.25	5.57	-98.40
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])S3)CC2)C(=O)N1	REAL300006803421	0	37	-2.0	-93.12	328.94	4.73	-88.39
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])S3)CC2)C(=O)[N-]1	REAL300006803421	1	37	-2.0	-93.12	328.94	4.73	-88.39
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=N3)CC2)C(=O)N1	REAL300006803422	0	39	-2.0	-102.79	333.22	4.63	-98.16
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=N3)CC2)C(=O)[N-]1	REAL300006803422	1	39	-2.0	-102.79	333.22	4.63	-98.16
CC1=NN(C2CCN(C(=O)C3=CC=CC=C3SC(C)C(=O)[O-])CC2)C(=O)N1	REAL300006803423	0	47	-2.0	-110.15	394.05	7.38	-102.77
CC1=NN(C2CCN(C(=O)C3=CC=CC=C3SC(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803423	1	47	-2.0	-110.15	394.05	7.38	-102.77
CC1=NN(C2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803424	0	46	-2.0	-99.09	383.59	7.43	-91.66
CC1=NN(C2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803424	1	46	-2.0	-99.09	383.59	7.43	-91.66
CC1=NN(C2CCN(C(=O)C3=CC=NC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803425	0	39	-2.0	-104.57	333.76	3.85	-100.72
CC1=NN(C2CCN(C(=O)C3=CC=NC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803425	1	39	-2.0	-104.57	333.76	3.85	-100.72
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803426	0	44	-2.0	-97.53	370.96	7.12	-90.41
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803426	1	44	-2.0	-97.53	370.96	7.12	-90.41
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C(=O)N1	REAL300006803427	0	42	-2.0	-89.27	366.19	6.29	-82.98
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803427	1	42	-2.0	-89.27	366.19	6.29	-82.98
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C(=O)N1	REAL300006803428	0	42	-2.0	-89.27	366.19	6.29	-82.98
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803428	1	42	-2.0	-89.27	366.19	6.29	-82.98
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C(=O)N1	REAL300006803429	0	47	-2.0	-103.39	391.91	6.72	-96.67
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C(=O)[N-]1	REAL300006803429	1	47	-2.0	-103.39	391.91	6.72	-96.67
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])O3)CC2)C(=O)N1	REAL300006803430	0	37	-2.0	-94.42	321.15	4.32	-90.10
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803430	1	37	-2.0	-94.42	321.15	4.32	-90.10
CC1=NN(C2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)C(=O)N1	REAL300006803431	0	46	-2.0	-102.34	374.99	7.18	-95.16
CC1=NN(C2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803431	1	46	-2.0	-102.34	374.99	7.18	-95.16
CC1=NN(C2CCN(C(=O)C3=CC(C)=C(OCC(=O)[O-])C(C)=C3)CC2)C(=O)N1	REAL300006803432	0	50	-2.0	-95.47	409.27	7.31	-88.16
CC1=NN(C2CCN(C(=O)C3=CC(C)=C(OCC(=O)[O-])C(C)=C3)CC2)C(=O)[N-]1	REAL300006803432	1	50	-2.0	-95.47	409.27	7.31	-88.16
CC1=NN(C2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803433	0	43	-2.0	-104.40	362.20	6.62	-97.78
CC1=NN(C2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803433	1	43	-2.0	-104.40	362.20	6.62	-97.78
CC1=NN(C2CCN(C(=O)C3CCCC(C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803434	0	46	-2.0	-98.04	352.13	5.73	-92.31
CC1=NN(C2CCN(C(=O)C3CCCC(C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803434	1	46	-2.0	-98.04	352.13	5.73	-92.31
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)C(=O)N1	REAL300006803435	0	39	-2.0	-97.34	333.66	3.86	-93.48
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)C(=O)[N-]1	REAL300006803435	1	39	-2.0	-97.34	333.66	3.86	-93.48
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C(=O)N1	REAL300006803436	0	39	-2.0	-90.67	332.42	4.64	-86.03
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]1	REAL300006803436	1	39	-2.0	-90.67	332.42	4.64	-86.03
CC1=NN(C2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C(=O)N1	REAL300006803437	0	45	-2.0	-95.81	346.68	5.39	-90.42
CC1=NN(C2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803437	1	45	-2.0	-95.81	346.68	5.39	-90.42
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)C(=O)N1	REAL300006803438	0	40	-2.0	-94.16	345.24	5.73	-88.43
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)C(=O)[N-]1	REAL300006803438	1	40	-2.0	-94.16	345.24	5.73	-88.43
CC1=NN(C2CCN(C(=O)C3=CN=C(C(=O)[O-])C=N3)CC2)C(=O)N1	REAL300006803439	0	38	-2.0	-90.68	327.57	2.83	-87.85
CC1=NN(C2CCN(C(=O)C3=CN=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]1	REAL300006803439	1	38	-2.0	-90.68	327.57	2.83	-87.85
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C(=O)N1	REAL300006803440	0	46	-2.0	-94.71	361.81	6.00	-88.71
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C(=O)[N-]1	REAL300006803440	1	46	-2.0	-94.71	361.81	6.00	-88.71
CC1=NN(C2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C(=O)N1	REAL300006803441	0	46	-2.0	-95.39	362.35	5.98	-89.41
CC1=NN(C2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C(=O)[N-]1	REAL300006803441	1	46	-2.0	-95.39	362.35	5.98	-89.41
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803442	0	43	-2.0	-103.63	362.19	6.63	-97.00
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803442	1	43	-2.0	-103.63	362.19	6.63	-97.00
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2)C(=O)N1	REAL300006803443	0	39	-2.0	-107.20	339.33	2.57	-104.63
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])N=N3)CC2)C(=O)[N-]1	REAL300006803443	1	39	-2.0	-107.20	339.33	2.57	-104.63
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C(C)=N3)CC2)C(=O)N1	REAL300006803444	0	42	-2.0	-91.50	352.66	5.30	-86.20
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C(C)=N3)CC2)C(=O)[N-]1	REAL300006803444	1	42	-2.0	-91.50	352.66	5.30	-86.20
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803445	0	40	-2.0	-94.93	337.99	5.62	-89.31
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803445	1	40	-2.0	-94.93	337.99	5.62	-89.31
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803446	0	43	-2.0	-100.77	342.28	5.34	-95.43
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803446	1	43	-2.0	-100.77	342.28	5.34	-95.43
CC1=NN(C2CCN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803447	0	43	-2.0	-100.82	358.43	6.34	-94.48
CC1=NN(C2CCN(C(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803447	1	43	-2.0	-100.82	358.43	6.34	-94.48
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])OC=C3)CC2)C(=O)N1	REAL300006803448	0	40	-2.0	-109.37	338.65	4.65	-104.72
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])OC=C3)CC2)C(=O)[N-]1	REAL300006803448	1	40	-2.0	-109.37	338.65	4.65	-104.72
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC(N2N=C(C)NC2=O)CC1	REAL300006803449	0	43	-2.0	-101.20	363.28	5.31	-95.89
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC(N2N=C(C)[N-]C2=O)CC1	REAL300006803449	1	43	-2.0	-101.20	363.28	5.31	-95.89
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)C(=O)N1	REAL300006803450	0	39	-2.0	-96.87	332.71	4.66	-92.21
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)C(=O)[N-]1	REAL300006803450	1	39	-2.0	-96.87	332.71	4.66	-92.21
CC1=NN(C2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C(=O)N1	REAL300006803451	0	41	-2.0	-94.18	335.49	5.30	-88.88
CC1=NN(C2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C(=O)[N-]1	REAL300006803451	1	41	-2.0	-94.18	335.49	5.30	-88.88
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C(=O)N1	REAL300006803452	0	40	-2.0	-104.58	321.69	4.47	-100.11
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C(=O)[N-]1	REAL300006803452	1	40	-2.0	-104.58	321.69	4.47	-100.11
CC1=NN(C2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)C(=O)N1	REAL300006803453	0	49	-2.0	-102.93	374.01	6.65	-96.28
CC1=NN(C2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)C(=O)[N-]1	REAL300006803453	1	49	-2.0	-102.93	374.01	6.65	-96.28
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)C(=O)N1	REAL300006803454	0	47	-2.0	-98.49	363.89	6.06	-92.43
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)C(=O)[N-]1	REAL300006803454	1	47	-2.0	-98.49	363.89	6.06	-92.43
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C(=O)N1	REAL300006803455	0	50	-2.0	-94.94	371.62	6.23	-88.71
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C(=O)[N-]1	REAL300006803455	1	50	-2.0	-94.94	371.62	6.23	-88.71
CC1=NN(C2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C(=O)N1	REAL300006803456	0	45	-2.0	-95.81	346.68	5.39	-90.42
CC1=NN(C2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803456	1	45	-2.0	-95.81	346.68	5.39	-90.42
CC1=NN(C2CCN(C(=O)CC(C)CC(=O)[O-])CC2)C(=O)N1	REAL300006803457	0	42	-2.0	-98.81	336.92	5.02	-93.79
CC1=NN(C2CCN(C(=O)CC(C)CC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803457	1	42	-2.0	-98.81	336.92	5.02	-93.79
CC1=NN(C2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CC2)C(=O)N1	REAL300006803458	0	42	-2.0	-113.19	365.59	4.62	-108.57
CC1=NN(C2CCN(C(=O)C3=CC=NC4=C(C(=O)[O-])C=NN43)CC2)C(=O)[N-]1	REAL300006803458	1	42	-2.0	-113.19	365.59	4.62	-108.57
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C(=O)N1	REAL300006803459	0	47	-2.0	-114.25	390.89	6.17	-108.08
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C(=O)[N-]1	REAL300006803459	1	47	-2.0	-114.25	390.89	6.17	-108.08
CC1=NN(C2CCN(C(=O)C3=NOC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803460	0	36	-2.0	-87.87	315.26	3.75	-84.12
CC1=NN(C2CCN(C(=O)C3=NOC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803460	1	36	-2.0	-87.87	315.26	3.75	-84.12
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C(=O)N1	REAL300006803461	0	43	-2.0	-96.55	332.38	4.99	-91.56
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C(=O)[N-]1	REAL300006803461	1	43	-2.0	-96.55	332.38	4.99	-91.56
CC1=NN(C2CCN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)CC2)C(=O)N1	REAL300006803462	0	53	-2.0	-105.64	416.48	8.87	-96.77
CC1=NN(C2CCN(C(=O)CC3CCCC4=CC=C(C(=O)[O-])C=C43)CC2)C(=O)[N-]1	REAL300006803462	1	53	-2.0	-105.64	416.48	8.87	-96.77
CC1=NN(C2CCN(C(=O)C3=C(C)OC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803463	0	40	-2.0	-95.87	343.02	4.90	-90.97
CC1=NN(C2CCN(C(=O)C3=C(C)OC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803463	1	40	-2.0	-95.87	343.02	4.90	-90.97
CC1=NN(C2CCN(C(=O)C3=CC(C)=C(C(=O)[O-])O3)CC2)C(=O)N1	REAL300006803464	0	40	-2.0	-95.45	339.07	4.91	-90.54
CC1=NN(C2CCN(C(=O)C3=CC(C)=C(C(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803464	1	40	-2.0	-95.45	339.07	4.91	-90.54
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2)C(=O)N1	REAL300006803465	0	40	-2.0	-103.93	344.24	4.06	-99.87
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]1	REAL300006803465	1	40	-2.0	-103.93	344.24	4.06	-99.87
CC1=NN(C2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CC2)C(=O)N1	REAL300006803466	0	41	-2.0	-99.20	354.23	5.55	-93.65
CC1=NN(C2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803466	1	41	-2.0	-99.20	354.23	5.55	-93.65
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C(=O)N1	REAL300006803467	0	47	-2.0	-96.37	364.36	6.18	-90.19
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C(=O)[N-]1	REAL300006803467	1	47	-2.0	-96.37	364.36	6.18	-90.19
CC1=NN(C2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803468	0	44	-2.0	-94.55	369.00	5.91	-88.64
CC1=NN(C2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803468	1	44	-2.0	-94.55	369.00	5.91	-88.64
CC1=NN(C2CCN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C(=O)N1	REAL300006803469	0	49	-2.0	-102.31	404.97	6.46	-95.85
CC1=NN(C2CCN(C(=O)C3CC(C(=O)[O-])=NN3C3=CC=CC=C3)CC2)C(=O)[N-]1	REAL300006803469	1	49	-2.0	-102.31	404.97	6.46	-95.85
CC1=NN(C2CCN(C(=O)CCSCC(=O)[O-])CC2)C(=O)N1	REAL300006803470	0	40	-2.0	-93.93	347.39	5.16	-88.77
CC1=NN(C2CCN(C(=O)CCSCC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803470	1	40	-2.0	-93.93	347.39	5.16	-88.77
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C(=O)N1	REAL300006803471	0	39	-2.0	-90.67	332.42	4.64	-86.03
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]1	REAL300006803471	1	39	-2.0	-90.67	332.42	4.64	-86.03
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C)CC2)C(=O)N1	REAL300006803472	0	40	-2.0	-98.38	338.35	3.30	-95.08
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C)CC2)C(=O)[N-]1	REAL300006803472	1	40	-2.0	-98.38	338.35	3.30	-95.08
CC1=NN(C2CCN(C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC2)C(=O)N1	REAL300006803473	0	44	-2.0	-103.50	355.81	5.29	-98.21
CC1=NN(C2CCN(C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803473	1	44	-2.0	-103.50	355.81	5.29	-98.21
CC1=NN(C2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)C(=O)N1	REAL300006803474	0	45	-2.0	-99.97	346.30	4.90	-95.07
CC1=NN(C2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803474	1	45	-2.0	-99.97	346.30	4.90	-95.07
CC1=NN(C2CCN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803475	0	43	-2.0	-94.73	360.15	6.40	-88.33
CC1=NN(C2CCN(C(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803475	1	43	-2.0	-94.73	360.15	6.40	-88.33
CC1=NN(C2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803476	0	44	-2.0	-96.06	370.10	6.90	-89.16
CC1=NN(C2CCN(C(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803476	1	44	-2.0	-96.06	370.10	6.90	-89.16
CC1=NN(C2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)C(=O)N1	REAL300006803477	0	41	-2.0	-95.02	355.49	5.36	-89.66
CC1=NN(C2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)C(=O)[N-]1	REAL300006803477	1	41	-2.0	-95.02	355.49	5.36	-89.66
CC1=NN(C2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2)C(=O)N1	REAL300006803478	0	46	-2.0	-112.61	375.33	7.13	-105.48
CC1=NN(C2CCN(C(=O)C3=CC=CC=C3CCC(=O)[O-])CC2)C(=O)[N-]1	REAL300006803478	1	46	-2.0	-112.61	375.33	7.13	-105.48
CC1=NN(C2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2)C(=O)N1	REAL300006803479	0	43	-2.0	-108.77	370.29	1.72	-107.05
CC1=NN(C2CCN(C(=O)COCC3=C(C(=O)[O-])N=CO3)CC2)C(=O)[N-]1	REAL300006803479	1	43	-2.0	-108.77	370.29	1.72	-107.05
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C(=O)N1	REAL300006803480	0	41	-2.0	-97.66	357.05	5.72	-91.94
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803480	1	41	-2.0	-97.66	357.05	5.72	-91.94
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803481	0	43	-2.0	-100.77	342.28	5.34	-95.43
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803481	1	43	-2.0	-100.77	342.28	5.34	-95.43
CC1=NN(C2CCN(C(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803482	0	43	-2.0	-104.10	353.85	6.15	-97.95
CC1=NN(C2CCN(C(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803482	1	43	-2.0	-104.10	353.85	6.15	-97.95
CC1=NN(C2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803483	0	39	-2.0	-96.02	331.90	3.70	-92.32
CC1=NN(C2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803483	1	39	-2.0	-96.02	331.90	3.70	-92.32
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CN=C3C)CC2)C(=O)N1	REAL300006803484	0	42	-2.0	-92.89	352.25	4.39	-88.50
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CN=C3C)CC2)C(=O)[N-]1	REAL300006803484	1	42	-2.0	-92.89	352.25	4.39	-88.50
CC1=NN(C2CCN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2)C(=O)N1	REAL300006803485	0	40	-2.0	-118.57	343.60	4.08	-114.49
CC1=NN(C2CCN(C(=O)CN3C=CC(C(=O)[O-])=N3)CC2)C(=O)[N-]1	REAL300006803485	1	40	-2.0	-118.57	343.60	4.08	-114.49
CC1=NN(C2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2)C(=O)N1	REAL300006803486	0	46	-2.0	-116.68	387.21	5.49	-111.19
CC1=NN(C2CCN(C(=O)CCCN3C=CC(C(=O)[O-])=N3)CC2)C(=O)[N-]1	REAL300006803486	1	46	-2.0	-116.68	387.21	5.49	-111.19
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803487	0	40	-2.0	-103.61	324.84	4.76	-98.85
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803487	1	40	-2.0	-103.61	324.84	4.76	-98.85
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CC2)C(=O)N1	REAL300006803488	0	47	-2.0	-103.49	377.79	5.70	-97.79
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803488	1	47	-2.0	-103.49	377.79	5.70	-97.79
CC1=NN(C2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)C(=O)N1	REAL300006803489	0	47	-2.0	-96.30	380.29	4.78	-91.52
CC1=NN(C2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)C(=O)[N-]1	REAL300006803489	1	47	-2.0	-96.30	380.29	4.78	-91.52
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803490	0	40	-2.0	-103.61	324.84	4.76	-98.85
CC1=NN(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803490	1	40	-2.0	-103.61	324.84	4.76	-98.85
CC1=NN(C2CCN(C(=O)C3=C(C)C=C(C(=O)[O-])O3)CC2)C(=O)N1	REAL300006803491	0	40	-2.0	-95.41	339.19	5.01	-90.40
CC1=NN(C2CCN(C(=O)C3=C(C)C=C(C(=O)[O-])O3)CC2)C(=O)[N-]1	REAL300006803491	1	40	-2.0	-95.41	339.19	5.01	-90.40
CC1=NN(C2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803492	0	48	-2.0	-105.02	366.62	7.11	-97.91
CC1=NN(C2CCN(C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803492	1	48	-2.0	-105.02	366.62	7.11	-97.91
CC1=NN(C2CCN(C(=O)C(C(=O)[O-])C(C)C)CC2)C(=O)N1	REAL300006803493	0	42	-2.0	-96.12	334.14	4.76	-91.36
CC1=NN(C2CCN(C(=O)C(C(=O)[O-])C(C)C)CC2)C(=O)[N-]1	REAL300006803493	1	42	-2.0	-96.12	334.14	4.76	-91.36
CC1=NN(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803494	0	46	-2.0	-111.11	351.16	6.35	-104.76
CC1=NN(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803494	1	46	-2.0	-111.11	351.16	6.35	-104.76
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2)C(=O)N1	REAL300006803496	0	47	-2.0	-96.08	376.64	7.26	-88.82
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC3C3=CC=CC=C3)CC2)C(=O)[N-]1	REAL300006803496	1	47	-2.0	-96.08	376.64	7.26	-88.82
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C(=O)N1	REAL300006803497	0	47	-2.0	-114.25	390.89	6.17	-108.08
CC1=NN(C2CCN(C(=O)C3=C(CC(=O)[O-])C4=CC=CC=C4N3)CC2)C(=O)[N-]1	REAL300006803497	1	47	-2.0	-114.25	390.89	6.17	-108.08
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2)C(=O)N1	REAL300006803498	0	47	-2.0	-113.48	395.60	8.04	-105.44
CC1=NN(C2CCN(C(=O)CN3C=C(C(=O)[O-])C4=CC=CC=C43)CC2)C(=O)[N-]1	REAL300006803498	1	47	-2.0	-113.48	395.60	8.04	-105.44
CC1=NN(C2CCN(C(=O)C3CC4(CC4C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803499	0	44	-2.0	-102.79	360.87	6.31	-96.48
CC1=NN(C2CCN(C(=O)C3CC4(CC4C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803499	1	44	-2.0	-102.79	360.87	6.31	-96.48
CC1=NN(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803500	0	40	-2.0	-103.02	328.89	4.91	-98.11
CC1=NN(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803500	1	40	-2.0	-103.02	328.89	4.91	-98.11
CC1=NN(C2CCN(C(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CC2)C(=O)N1	REAL300006803501	0	46	-2.0	-113.21	366.50	7.04	-106.17
CC1=NN(C2CCN(C(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)CC2)C(=O)[N-]1	REAL300006803501	1	46	-2.0	-113.21	366.50	7.04	-106.17
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C(=O)N1	REAL300006803502	0	43	-2.0	-98.66	357.34	6.25	-92.41
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C(=O)[N-]1	REAL300006803502	1	43	-2.0	-98.66	357.34	6.25	-92.41
CC1=NN(C2CCN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2)C(=O)N1	REAL300006803503	0	43	-2.0	-100.78	348.48	5.36	-95.42
CC1=NN(C2CCN(C(=O)C3CC(C)(C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300006803503	1	43	-2.0	-100.78	348.48	5.36	-95.42
CC1=NN(C2CCN(C(=O)C3=C(C(=O)[O-])SC=C3)CC2)C(=O)N1	REAL300006803504	0	37	-2.0	-113.06	325.96	5.56	-107.50
CC1=NN(C2CCN(C(=O)C3=C(C(=O)[O-])SC=C3)CC2)C(=O)[N-]1	REAL300006803504	1	37	-2.0	-113.06	325.96	5.56	-107.50
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3)CC2)C(=O)N1	REAL300006803505	0	37	-2.0	-97.45	318.30	2.41	-95.04
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=NN3)CC2)C(=O)[N-]1	REAL300006803505	1	37	-2.0	-97.45	318.30	2.41	-95.04
CC1=NN(C2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3C)CC2)C(=O)N1	REAL300006803506	0	42	-2.0	-94.20	345.45	4.29	-89.91
CC1=NN(C2CCN(C(=O)C3=CN=CC(C(=O)[O-])=C3C)CC2)C(=O)[N-]1	REAL300006803506	1	42	-2.0	-94.20	345.45	4.29	-89.91
CCCC(C(=O)[O-])C(=O)N1CCC(N2N=C(C)NC2=O)CC1	REAL300006803507	0	42	-2.0	-95.70	338.12	5.00	-90.70
CCCC(C(=O)[O-])C(=O)N1CCC(N2N=C(C)[N-]C2=O)CC1	REAL300006803507	1	42	-2.0	-95.70	338.12	5.00	-90.70
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3C)CC2)C(=O)N1	REAL300006803508	0	43	-2.0	-94.91	357.82	6.25	-88.66
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3C)CC2)C(=O)[N-]1	REAL300006803508	1	43	-2.0	-94.91	357.82	6.25	-88.66
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CC2)C(=O)N1	REAL300006803509	0	40	-2.0	-93.38	353.85	6.13	-87.25
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3Cl)CC2)C(=O)[N-]1	REAL300006803509	1	40	-2.0	-93.38	353.85	6.13	-87.25
CC1=NN(C2CCN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CC2)C(=O)N1	REAL300006803510	0	47	-2.0	-96.11	377.68	6.77	-89.34
CC1=NN(C2CCN(C(=O)C3CC4(CC(C(=O)[O-])C4)C3)CC2)C(=O)[N-]1	REAL300006803510	1	47	-2.0	-96.11	377.68	6.77	-89.34
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC(N3N=C(C)NC3=O)CC2)=C1	REAL300006803511	0	43	-2.0	-99.85	362.50	3.99	-95.86
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC(N3N=C(C)[N-]C3=O)CC2)=C1	REAL300006803511	1	43	-2.0	-99.85	362.50	3.99	-95.86
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])N3C)CC2)C(=O)N1	REAL300006803512	0	41	-2.0	-94.94	336.69	4.84	-90.10
CC1=NN(C2CCN(C(=O)C3=CC=C(C(=O)[O-])N3C)CC2)C(=O)[N-]1	REAL300006803512	1	41	-2.0	-94.94	336.69	4.84	-90.10
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C(=O)N1	REAL300006803513	0	41	-2.0	-102.75	323.17	4.85	-97.90
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C(=O)[N-]1	REAL300006803513	1	41	-2.0	-102.75	323.17	4.85	-97.90
CC1=NN(C2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803514	0	46	-2.0	-93.90	381.55	7.21	-86.69
CC1=NN(C2CCN(C(=O)C3=CC=C(CCC(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803514	1	46	-2.0	-93.90	381.55	7.21	-86.69
CC1=NN(C2CCN(C(=O)C3=NNC(C)=C3C(=O)[O-])CC2)C(=O)N1	REAL300006803515	1	40	-2.0	-96.92	339.62	2.53	-94.39
CC1=NN(C2CCN(C(=O)C3=C(C(=O)[O-])C(C)=NN3)CC2)C(=O)[N-]1	REAL300006803515	1	40	-2.0	-109.82	332.56	4.13	-105.69
CC1=NN(C2CCN(C(=O)C3=NNC(C)=C3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803515	1	40	-2.0	-109.82	332.56	4.13	-105.69
CC1=NN(C2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C(=O)N1	REAL300006803516	0	43	-2.0	-99.98	345.61	5.66	-94.32
CC1=NN(C2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)C(=O)[N-]1	REAL300006803516	1	43	-2.0	-99.98	345.61	5.66	-94.32
CC1=NN(C2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C(=O)N1	REAL300006803517	0	44	-2.0	-103.24	370.04	6.37	-96.87
CC1=NN(C2CCN(C(=O)C3CC4(C3)C(C(=O)[O-])C4(F)F)CC2)C(=O)[N-]1	REAL300006803517	1	44	-2.0	-103.24	370.04	6.37	-96.87
CC1=NN(C2CCN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2)C(=O)N1	REAL300006803518	0	36	-2.0	-99.23	324.12	3.55	-95.68
CC1=NN(C2CCN(C(=O)C3=CSC(C(=O)[O-])=N3)CC2)C(=O)[N-]1	REAL300006803518	1	36	-2.0	-99.23	324.12	3.55	-95.68
CC1=NN(C2CCN(C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803519	0	40	-2.0	-108.44	329.85	4.77	-103.67
CC1=NN(C2CCN(C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803519	1	40	-2.0	-108.44	329.85	4.77	-103.67
CC1=NN(C2CCN(C(=O)C3=C(C)SC(C(=O)[O-])=C3)CC2)C(=O)N1	REAL300006803520	0	40	-2.0	-96.38	348.43	5.45	-90.93
CC1=NN(C2CCN(C(=O)C3=C(C)SC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300006803520	1	40	-2.0	-96.38	348.43	5.45	-90.93
CC1=NN(C2CCN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CC2)C(=O)N1	REAL300006803521	0	40	-2.0	-93.58	365.65	6.19	-87.39
CC1=NN(C2CCN(C(=O)C3=CC4=C(SC(C(=O)[O-])=C4)S3)CC2)C(=O)[N-]1	REAL300006803521	1	40	-2.0	-93.58	365.65	6.19	-87.39
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC(N3N=C(C)NC3=O)CC2)=C1	REAL300006803522	0	44	-2.0	-99.06	375.32	5.22	-93.84
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC(N3N=C(C)[N-]C3=O)CC2)=C1	REAL300006803522	1	44	-2.0	-99.06	375.32	5.22	-93.84
CC1=NN(C2CCN(C(=O)C3=C(F)C=CC(C(=O)[O-])=C3C)CC2)C(=O)N1	REAL300006803523	0	43	-2.0	-93.60	365.75	6.33	-87.27
CC1=NN(C2CCN(C(=O)C3=C(F)C=CC(C(=O)[O-])=C3C)CC2)C(=O)[N-]1	REAL300006803523	1	43	-2.0	-93.60	365.75	6.33	-87.27
CC1=NN(C2CCN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)CC2)C(=O)N1	REAL300006803524	0	43	-2.0	-106.95	370.06	6.84	-100.11
CC1=NN(C2CCN(C(=O)C3=CC4=C(C(=O)[O-])C=CC=C4S3)CC2)C(=O)[N-]1	REAL300006803524	1	43	-2.0	-106.95	370.06	6.84	-100.11
CC1=NN(C2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)C(=O)N1	REAL300006803525	0	45	-2.0	-112.73	371.08	5.42	-107.31
CC1=NN(C2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803525	1	45	-2.0	-112.73	371.08	5.42	-107.31
CC1=NN(C2CCN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CC2)C(=O)N1	REAL300006803526	0	42	-2.0	-91.81	345.67	3.75	-88.06
CC1=NN(C2CCN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CC2)C(=O)[N-]1	REAL300006803526	1	42	-2.0	-91.81	345.67	3.75	-88.06
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)N1	REAL300006803527	0	44	-2.0	-97.53	370.96	7.12	-90.41
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300006803527	1	44	-2.0	-97.53	370.96	7.12	-90.41
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC3C)CC2)C(=O)N1	REAL300006803528	0	40	-2.0	-96.35	327.49	4.73	-91.62
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC3C)CC2)C(=O)[N-]1	REAL300006803528	1	40	-2.0	-96.35	327.49	4.73	-91.62
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C(=O)N1	REAL300006803529	0	47	-2.0	-96.37	364.36	6.18	-90.19
CC1=NN(C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)C(=O)[N-]1	REAL300006803529	1	47	-2.0	-96.37	364.36	6.18	-90.19
CC1=NN(C2CCN(C(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C(=O)N1	REAL300006803530	0	40	-2.0	-100.29	344.18	3.26	-97.03
CC1=NN(C2CCN(C(=O)C3=C(C(=O)[O-])C=NN3C)CC2)C(=O)[N-]1	REAL300006803530	1	40	-2.0	-100.29	344.18	3.26	-97.03
CC1=NN(C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CC2)C(=O)N1	REAL300006803531	0	41	-2.0	-98.70	359.64	5.14	-93.56
CC1=NN(C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CC2)C(=O)[N-]1	REAL300006803531	1	41	-2.0	-98.70	359.64	5.14	-93.56
CC1=NN(C2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CC2)C(=O)N1	REAL300006803532	0	41	-2.0	-93.87	359.85	5.28	-88.59
CC1=NN(C2CCN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CC2)C(=O)[N-]1	REAL300006803532	1	41	-2.0	-93.87	359.85	5.28	-88.59
CC1=NN(C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CC2)C(=O)N1	REAL300006803533	0	41	-2.0	-97.20	351.02	4.30	-92.90
CC1=NN(C2CCN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CC2)C(=O)[N-]1	REAL300006803533	1	41	-2.0	-97.20	351.02	4.30	-92.90
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)C(=O)N1	REAL300006803534	0	43	-2.0	-100.99	350.45	6.10	-94.89
CC1=NN(C2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)C(=O)[N-]1	REAL300006803534	1	43	-2.0	-100.99	350.45	6.10	-94.89
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2)C(=O)N1	REAL300006803535	0	43	-2.0	-100.03	366.74	5.35	-94.68
CC1=NN(C2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2)C(=O)[N-]1	REAL300006803535	1	43	-2.0	-100.03	366.74	5.35	-94.68
C=C1CCC1(C(=O)[O-])C(=O)N1CCC(N2N=C(C)NC2=O)CC1	REAL300006803536	0	41	-2.0	-98.06	331.40	4.82	-93.24
C=C1CCC1(C(=O)[O-])C(=O)N1CCC(N2N=C(C)[N-]C2=O)CC1	REAL300006803536	1	41	-2.0	-98.06	331.40	4.82	-93.24
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CS3)CC2)C(=O)N1	REAL300006803537	0	37	-2.0	-99.35	328.03	4.56	-94.79
CC1=NN(C2CCN(C(=O)C3=CC(C(=O)[O-])=CS3)CC2)C(=O)[N-]1	REAL300006803537	1	37	-2.0	-99.35	328.03	4.56	-94.79
CC1=NN(C2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803538	0	45	-2.0	-119.87	352.52	4.52	-115.35
CC1=NN(C2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803538	1	45	-2.0	-119.87	352.52	4.52	-115.35
CC1=NN(C2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2)C(=O)N1	REAL300006803539	0	46	-2.0	-97.51	377.54	7.71	-89.80
CC1=NN(C2CCN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CC2)C(=O)[N-]1	REAL300006803539	1	46	-2.0	-97.51	377.54	7.71	-89.80
CC1=NN(C2CCN(C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])CC2)C(=O)N1	REAL300006803540	0	46	-2.0	-106.66	356.44	6.45	-100.21
CC1=NN(C2CCN(C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300006803540	1	46	-2.0	-106.66	356.44	6.45	-100.21
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3C)CC2)C(=O)N1	REAL300006803541	0	46	-2.0	-104.26	378.90	7.11	-97.15
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3C)CC2)C(=O)[N-]1	REAL300006803541	1	46	-2.0	-104.26	378.90	7.11	-97.15
CC1=NN(C2CCN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2)C(=O)N1	REAL300006803542	0	40	-2.0	-102.73	353.79	5.77	-96.96
CC1=NN(C2CCN(C(=O)CC3=CC(C(=O)[O-])=CS3)CC2)C(=O)[N-]1	REAL300006803542	1	40	-2.0	-102.73	353.79	5.77	-96.96
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2)C(=O)N1	REAL300006803543	0	43	-2.0	-106.10	366.73	6.64	-99.46
CC1=NN(C2CCN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CC2)C(=O)[N-]1	REAL300006803543	1	43	-2.0	-106.10	366.73	6.64	-99.46
CC1=NN(C2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)C(=O)N1	REAL300006803544	0	43	-2.0	-104.33	343.46	5.46	-98.87
CC1=NN(C2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)C(=O)[N-]1	REAL300006803544	1	43	-2.0	-104.33	343.46	5.46	-98.87
CC1=NN(C2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CC2)C(=O)N1	REAL300006803545	0	47	-2.0	-95.69	385.49	7.15	-88.54
CC1=NN(C2CCN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CC2)C(=O)[N-]1	REAL300006803545	1	47	-2.0	-95.69	385.49	7.15	-88.54
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C(=O)N1	REAL300006803546	0	50	-2.0	-94.94	371.62	6.23	-88.71
CC1=NN(C2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)C(=O)[N-]1	REAL300006803546	1	50	-2.0	-94.94	371.62	6.23	-88.71
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=C1	REAL300006805757	0	45	-2.0	-116.93	382.37	4.36	-112.57
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2C	REAL300006806021	0	45	-2.0	-117.02	383.23	4.59	-112.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)O1	REAL300006806432	1	39	-2.0	-130.30	349.85	0.95	-129.35
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C2	REAL300006806667	0	42	-2.0	-115.68	361.79	3.69	-111.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CS1	REAL300006806996	1	46	-2.0	-107.01	394.39	5.29	-101.72
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C2	REAL300006807210	0	42	-2.0	-113.25	367.40	3.77	-109.48
CC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006807299	1	48	-2.0	-126.60	393.96	5.06	-121.54
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300006808353	1	35	-2.0	-116.15	305.46	4.75	-111.40
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300006808366	1	38	-2.0	-113.57	337.08	6.71	-106.86
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300006808407	0	35	-2.0	-108.39	303.45	3.19	-105.20
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300006808407	1	35	-2.0	-108.39	303.51	3.21	-105.18
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C2	REAL300006808495	0	41	-2.0	-115.71	359.20	2.82	-112.89
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300006808531	1	40	-2.0	-124.15	345.20	4.25	-119.90
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300006808575	1	34	-2.0	-112.93	291.91	2.73	-110.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=N1	REAL300006808687	0	45	-2.0	-121.04	384.09	7.58	-113.46
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300006808692	0	42	-2.0	-120.74	362.25	6.59	-114.15
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300006808738	1	40	-2.0	-123.76	337.18	7.74	-116.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=N2)=C1	REAL300006808907	0	45	-2.0	-129.51	380.72	7.17	-122.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=N1	REAL300006808908	0	48	-2.0	-137.37	403.67	7.73	-129.64
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300006809044	0	35	-2.0	-114.42	320.33	5.27	-109.15
COC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)NC(=O)[N-]C1=O	REAL300006809062	1	38	-2.0	-121.06	334.47	-0.71	-121.77
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300006809162	0	38	-2.0	-102.17	324.95	3.97	-98.20
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300006809162	1	38	-2.0	-102.18	325.01	3.99	-98.19
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300006809202	0	35	-2.0	-113.11	315.26	5.23	-107.88
CCOC1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CC(Cl)=C1[O-]	REAL300006809206	1	42	-2.0	-115.94	365.24	6.26	-109.68
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4C)=N2)C=C1	REAL300006809215	0	46	-2.0	-128.13	385.43	5.82	-122.31
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)=CO1	REAL300006809239	1	39	-2.0	-125.22	348.32	0.56	-124.66
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300006809407	0	38	-2.0	-110.10	332.29	4.24	-105.86
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300006809407	1	38	-2.0	-110.03	332.36	4.25	-105.78
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300006809706	0	33	-2.0	-112.98	293.28	3.27	-109.71
COCC1=NC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3C)C(=O)[N-]1	REAL300006809742	1	40	-2.0	-123.61	347.46	1.83	-121.78
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300006809792	1	43	-2.0	-129.39	353.33	4.68	-124.71
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300006810118	0	35	-2.0	-111.27	331.15	6.76	-104.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)O1	REAL300006812688	1	42	-2.0	-90.56	369.78	3.13	-87.43
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CCC2)C=C1	REAL300006812880	0	45	-2.0	-99.28	377.37	6.44	-92.84
CC1=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006813432	1	51	-2.0	-94.83	401.49	7.94	-86.89
COC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C([O-])=C1	REAL300006813892	1	42	-2.0	-112.87	344.20	8.13	-104.74
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C2)CCC1	REAL300006814433	1	38	-2.0	-97.42	322.89	7.37	-90.05
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=C2)CCC1	REAL300006814446	1	41	-2.0	-99.55	353.52	9.81	-89.74
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CCC1	REAL300006814500	0	38	-2.0	-96.13	320.61	5.43	-90.70
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C=N1	REAL300006814581	0	44	-2.0	-96.05	378.40	5.47	-90.58
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=C2)CCC1	REAL300006814612	1	43	-2.0	-96.87	356.35	6.88	-89.99
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C2)CCC1	REAL300006814652	1	37	-2.0	-101.79	311.73	5.49	-96.30
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O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=C2)CCC1	REAL300006815100	0	38	-2.0	-91.41	339.17	7.92	-83.49
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O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CCC1	REAL300006815216	1	41	-2.0	-100.63	342.17	6.23	-94.40
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C2)CCC1	REAL300006815252	0	38	-2.0	-94.63	332.69	7.87	-86.76
CCOC1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)=CC(Cl)=C1[O-]	REAL300006815256	1	45	-2.0	-94.86	384.01	8.89	-85.97
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)=CO1	REAL300006815289	1	42	-2.0	-95.41	368.96	3.12	-92.29
O=C([O-])C1(C2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)C=C2)CCC1	REAL300006815379	0	46	-2.0	-99.78	381.39	11.80	-87.98
O=C([O-])C1(C2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)C=C2)CCC1	REAL300006815379	1	46	-2.0	-99.81	381.34	11.83	-87.98
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CCC1	REAL300006815452	0	41	-2.0	-89.36	352.42	6.02	-83.34
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CCC1	REAL300006815452	1	41	-2.0	-89.35	352.49	6.02	-83.33
O=C([O-])C1(C2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C2)CCC1	REAL300006815734	0	36	-2.0	-84.63	304.24	5.92	-78.71
COCC1=NC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCC3)C=C2)C(=O)[N-]1	REAL300006815768	1	43	-2.0	-92.84	357.85	4.54	-88.30
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=C2)CCC1	REAL300006815816	1	46	-2.0	-96.89	372.10	7.43	-89.46
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=C2)CCC1	REAL300006816121	0	38	-2.0	-106.86	347.58	9.85	-97.01
C=CCN(CCC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300006817010	1	51	-2.0	-102.42	414.84	7.84	-94.58
C=CCN(CCC(=O)[O-])C(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300006817358	0	41	-2.0	-97.84	349.85	5.03	-92.81
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300006817668	0	41	-2.0	-106.36	360.11	5.45	-100.91
C=CCN(CCC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300006817714	1	43	-2.0	-112.16	379.07	10.75	-101.41
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300006817896	1	45	-2.0	-99.43	390.84	7.41	-92.02
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300006817897	1	45	-2.0	-102.36	388.75	7.31	-95.05
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300006817910	0	41	-2.0	-87.86	373.82	5.60	-82.26
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300006818142	0	42	-2.0	-102.11	382.78	6.41	-95.70
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300006818160	1	44	-2.0	-89.82	379.80	4.16	-85.66
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300006818161	1	35	-2.0	-88.93	324.35	1.76	-87.17
C=CCN(CCC(=O)[O-])C(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300006818401	0	45	-2.0	-99.41	384.55	3.24	-96.17
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300006818447	0	38	-2.0	-104.89	338.66	4.55	-100.34
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300006818455	0	42	-2.0	-100.24	380.69	6.31	-93.93
C=CCN(CCC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300006818807	1	42	-2.0	-107.68	369.78	6.09	-101.59
C=CCN(CCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300006819015	0	38	-2.0	-95.89	334.87	4.43	-91.46
C=CCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300006819022	1	44	-2.0	-114.35	380.65	6.30	-108.05
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC	REAL300006819027	0	44	-2.0	-106.88	381.62	6.23	-100.65
C=CCN(CCC(=O)[O-])C(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300006819089	1	44	-2.0	-107.68	367.44	5.89	-101.79
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300006819188	1	45	-2.0	-95.15	390.99	7.41	-87.74
C=CCN(CCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300006819737	0	44	-2.0	-109.33	384.62	6.79	-102.54
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006819906	1	34	-2.0	-110.27	307.31	7.71	-102.56
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006819993	0	37	-2.0	-96.08	332.75	3.48	-92.60
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300006820054	1	44	-2.0	-91.54	386.03	5.64	-85.90
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300006820069	0	47	-2.0	-121.70	392.66	9.38	-112.32
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300006820070	0	47	-2.0	-120.67	392.62	9.39	-111.28
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300006820139	0	41	-2.0	-117.49	353.65	8.28	-109.21
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006820143	0	38	-2.0	-119.07	338.81	7.52	-111.55
C=CCN(CCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006820164	1	36	-2.0	-120.70	310.94	8.88	-111.82
C=CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006820182	0	38	-2.0	-84.39	350.30	4.74	-79.65
C=CCN(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300006820220	0	30	-2.0	-93.07	293.18	4.50	-88.57
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300006820269	0	41	-2.0	-118.83	350.78	8.04	-110.79
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300006820270	0	44	-2.0	-123.49	370.49	9.07	-114.42
C=CCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300006820311	1	44	-2.0	-113.00	379.92	6.24	-106.76
C=CCN(CCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006820343	0	31	-2.0	-90.82	293.65	6.02	-84.80
C=CCN(CCC(=O)[O-])C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300006820427	1	38	-2.0	-95.43	338.50	6.99	-88.44
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006820431	0	41	-2.0	-122.67	367.85	8.32	-114.35
C=CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300006820438	0	42	-2.0	-120.47	361.89	6.76	-113.71
C=CCN(CCC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300006820455	1	35	-2.0	-91.34	318.12	1.26	-90.08
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006820575	0	34	-2.0	-85.06	305.78	5.45	-79.61
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006820575	1	34	-2.0	-85.03	305.85	5.47	-79.56
C=CCN(CCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006820835	1	39	-2.0	-105.84	336.32	5.50	-100.34
C=CCN(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006821038	0	31	-2.0	-94.55	298.66	7.77	-86.78
C=CCN(CCC(=O)[O-])C(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300006821261	0	39	-2.0	-106.12	346.11	4.55	-101.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300006822240	0	44	-2.0	-115.24	390.20	6.31	-108.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006822495	0	44	-2.0	-116.04	390.28	6.53	-109.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300006822891	1	38	-2.0	-98.75	361.26	2.33	-96.42
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006823121	0	41	-2.0	-114.35	367.99	5.67	-108.68
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CS1	REAL300006823440	1	45	-2.0	-117.61	403.08	6.72	-110.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300006823645	0	41	-2.0	-107.33	374.40	5.72	-101.61
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006824775	1	34	-2.0	-100.20	313.80	6.60	-93.60
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006824788	1	37	-2.0	-116.56	344.11	9.13	-107.43
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300006824829	0	34	-2.0	-96.35	311.90	4.68	-91.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300006824829	1	34	-2.0	-96.34	311.95	4.70	-91.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300006824916	0	40	-2.0	-104.66	369.03	4.70	-99.96
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300006824993	1	33	-2.0	-104.02	303.29	4.73	-99.29
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006825107	0	41	-2.0	-127.76	374.78	7.88	-119.88
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006825153	1	39	-2.0	-132.57	348.77	8.72	-123.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300006825320	0	47	-2.0	-133.49	410.52	9.51	-123.98
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006825455	0	34	-2.0	-97.24	330.64	7.13	-90.11
COC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006825473	1	37	-2.0	-98.10	335.95	2.21	-95.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300006825573	0	37	-2.0	-106.62	333.64	5.39	-101.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300006825573	1	37	-2.0	-106.56	333.70	5.40	-101.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006825613	0	34	-2.0	-98.09	324.43	7.06	-91.03
CCOC1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006825616	1	41	-2.0	-102.49	375.48	8.10	-94.39
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=N2)C=C1	REAL300006825625	0	45	-2.0	-130.44	398.69	7.08	-123.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CO1	REAL300006825649	1	38	-2.0	-103.16	360.46	2.29	-100.87
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006825817	0	37	-2.0	-91.33	344.17	5.20	-86.13
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006825817	1	37	-2.0	-91.32	344.24	5.21	-86.11
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300006826110	0	32	-2.0	-101.98	295.68	5.10	-96.88
COCC1=NC=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(=O)[N-]1	REAL300006826145	1	39	-2.0	-111.38	348.61	3.73	-107.65
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006826515	0	34	-2.0	-112.95	339.03	9.13	-103.82
CC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(=O)NC(C2=CC=CO2)=N1	REAL300006826817	0	42	-2.0	-111.49	373.14	6.27	-105.22
CC1=C(C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006826817	1	42	-2.0	-111.49	373.14	6.27	-105.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=C1	REAL300006827716	0	44	-2.0	-101.41	372.07	5.02	-96.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C(C)(C(F)F)C1	REAL300006827986	0	44	-2.0	-123.13	370.08	5.20	-117.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)O1	REAL300006828402	1	38	-2.0	-102.13	341.00	1.51	-100.62
CC1(C(F)F)CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1C(=O)[O-]	REAL300006828639	0	41	-2.0	-121.24	348.61	4.30	-116.94
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CS1	REAL300006828974	1	45	-2.0	-93.02	382.60	5.83	-87.19
CC1(C(F)F)CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1C(=O)[O-]	REAL300006829190	0	41	-2.0	-96.21	357.09	4.41	-91.80
CC1(C(F)F)CN(C(=O)C2=CC=C([O-])C(F)=C2)CC1C(=O)[O-]	REAL300006830337	1	34	-2.0	-106.30	295.56	5.31	-100.99
CC1(C(F)F)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1C(=O)[O-]	REAL300006830350	1	37	-2.0	-126.06	327.37	7.45	-118.61
CC1(C(F)F)CN(C(=O)CCC2=N[N-]N=N2)CC1C(=O)[O-]	REAL300006830390	0	34	-2.0	-83.72	293.05	3.76	-79.96
CC1(C(F)F)CN(C(=O)CCC2=NN=N[N-]2)CC1C(=O)[O-]	REAL300006830390	1	34	-2.0	-83.69	293.11	3.77	-79.92
CC1(C(F)F)CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1C(=O)[O-]	REAL300006830480	0	40	-2.0	-104.70	342.98	3.22	-101.48
CC1(C(F)F)CN(C(=O)C2=CN=CC([O-])=C2)CC1C(=O)[O-]	REAL300006830560	1	33	-2.0	-93.90	281.88	3.42	-90.48
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300006830672	0	44	-2.0	-104.67	371.56	8.03	-96.64
CC1(C(F)F)CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1C(=O)[O-]	REAL300006830677	0	41	-2.0	-130.63	350.67	7.22	-123.41
CC1(C(F)F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1C(=O)[O-]	REAL300006830723	1	39	-2.0	-126.87	328.26	8.34	-118.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=N2)=C1	REAL300006830890	0	44	-2.0	-119.48	367.78	7.71	-111.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=N1	REAL300006830891	0	47	-2.0	-110.53	386.09	8.81	-101.72
CC1(C(F)F)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1C(=O)[O-]	REAL300006831028	0	34	-2.0	-83.68	306.34	5.76	-77.92
COC1=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)NC(=O)[N-]C1=O	REAL300006831045	1	37	-2.0	-88.52	316.15	1.34	-87.18
CC1(C(F)F)CN(C(=O)CCCC2=N[N-]N=N2)CC1C(=O)[O-]	REAL300006831149	0	37	-2.0	-97.71	316.71	4.56	-93.15
CC1(C(F)F)CN(C(=O)CCCC2=NN=N[N-]2)CC1C(=O)[O-]	REAL300006831149	1	37	-2.0	-97.75	316.77	4.57	-93.18
CC1(C(F)F)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1C(=O)[O-]	REAL300006831189	0	34	-2.0	-103.11	305.36	5.79	-97.32
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CC(Cl)=C1[O-]	REAL300006831193	1	41	-2.0	-88.38	351.19	6.73	-81.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C(C)(C(F)F)C3)=N2)C=C1	REAL300006831202	0	45	-2.0	-116.23	372.51	6.36	-109.87
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)=CO1	REAL300006831226	1	38	-2.0	-107.28	338.62	1.17	-106.11
CC1(C(F)F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C(=O)[O-]	REAL300006831394	0	37	-2.0	-93.65	320.67	4.88	-88.77
CC1(C(F)F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C(=O)[O-]	REAL300006831394	1	37	-2.0	-93.63	320.74	4.89	-88.74
CC1(C(F)F)CN(C(=O)C2=C[N-]N=CC2=O)CC1C(=O)[O-]	REAL300006831693	0	32	-2.0	-111.97	284.95	3.90	-108.07
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(=O)[N-]1	REAL300006831729	1	39	-2.0	-118.61	339.25	2.47	-116.14
CC1(C(F)F)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C(=O)[O-]	REAL300006832107	0	34	-2.0	-89.72	319.19	7.52	-82.20
CC1=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300006832417	0	42	-2.0	-141.63	359.89	5.16	-136.47
CC1=C(C(=O)N2CC(C(=O)[O-])C(C)(C(F)F)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006832417	1	42	-2.0	-141.63	359.89	5.16	-136.47
CC1=C(CCC(=O)N(C)C2(CC(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006833341	1	51	-2.0	-102.02	404.20	7.49	-94.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300006833870	1	43	-2.0	-125.91	367.63	10.30	-115.61
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1(CC(=O)[O-])CC1	REAL300006834017	1	45	-2.0	-109.05	373.79	6.45	-102.60
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1(CC(=O)[O-])CC1	REAL300006834018	1	45	-2.0	-117.58	376.65	6.38	-111.20
CC1=CC(C(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006834029	0	41	-2.0	-89.32	363.19	5.02	-84.30
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1(CC(=O)[O-])CC1	REAL300006834213	0	42	-2.0	-107.66	365.70	5.45	-102.21
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1(CC(=O)[O-])CC1	REAL300006834230	1	44	-2.0	-99.30	368.59	3.78	-95.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2(CC(=O)[O-])CC2)O1	REAL300006834231	1	35	-2.0	-96.43	315.15	1.46	-94.97
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1(CC(=O)[O-])CC1	REAL300006834459	0	42	-2.0	-110.26	366.08	5.42	-104.84
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C2(CC(=O)[O-])CC2)=CS1	REAL300006834713	1	42	-2.0	-110.22	359.11	5.74	-104.48
CC1=C(CC(=O)N(C)C2(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006834885	1	44	-2.0	-124.23	367.95	5.80	-118.43
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835014	1	45	-2.0	-100.47	374.18	6.44	-94.03
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1(CC(=O)[O-])CC1	REAL300006835546	1	34	-2.0	-112.01	289.47	6.97	-105.04
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1(CC(=O)[O-])CC1	REAL300006835612	0	37	-2.0	-107.47	316.89	2.39	-105.08
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1(CC(=O)[O-])CC1	REAL300006835657	1	44	-2.0	-96.13	369.22	4.68	-91.45
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C3(CC(=O)[O-])CC3)=N2)=C1	REAL300006835671	0	47	-2.0	-130.95	383.47	9.02	-121.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3(CC(=O)[O-])CC3)=N2)C=C1	REAL300006835672	0	47	-2.0	-125.41	382.06	8.84	-116.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2(CC(=O)[O-])CC2)=N1	REAL300006835719	0	41	-2.0	-126.25	348.43	8.58	-117.67
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1(CC(=O)[O-])CC1	REAL300006835723	0	38	-2.0	-126.91	329.62	7.17	-119.74
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1(CC(=O)[O-])CC1	REAL300006835738	1	36	-2.0	-131.98	302.05	8.54	-123.44
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1(CC(=O)[O-])CC1	REAL300006835754	0	38	-2.0	-94.42	335.69	3.85	-90.57
CN(C(=O)C1=CN=C(I)C([O-])=C1)C1(CC(=O)[O-])CC1	REAL300006835784	0	30	-2.0	-103.58	277.31	3.41	-100.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3(CC(=O)[O-])CC3)=N2)=C1	REAL300006835816	0	41	-2.0	-135.91	347.40	8.27	-127.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2(CC(=O)[O-])CC2)=N1	REAL300006835817	0	44	-2.0	-134.25	364.27	9.33	-124.92
CC1=C(CC(=O)N(C)C2(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006835842	1	44	-2.0	-123.14	368.13	5.79	-117.35
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1(CC(=O)[O-])CC1	REAL300006835867	0	31	-2.0	-107.86	272.70	5.79	-102.07
CCOC1=CC(C(=O)N(C)C2(CC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300006835925	1	38	-2.0	-114.44	317.57	6.76	-107.68
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1(CC(=O)[O-])CC1	REAL300006835928	0	41	-2.0	-137.02	341.84	8.51	-128.51
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3(CC(=O)[O-])CC3)=N2)C=C1	REAL300006835932	0	42	-2.0	-125.07	351.36	6.22	-118.85
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2(CC(=O)[O-])CC2)=CO1	REAL300006835942	1	35	-2.0	-95.88	313.30	0.72	-95.16
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(CC(=O)[O-])CC1	REAL300006836036	0	34	-2.0	-89.10	298.31	4.71	-84.39
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(CC(=O)[O-])CC1	REAL300006836036	1	34	-2.0	-89.08	298.39	4.71	-84.37
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1(CC(=O)[O-])CC1	REAL300006836235	1	39	-2.0	-118.48	324.07	4.96	-113.52
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1(CC(=O)[O-])CC1	REAL300006836388	0	31	-2.0	-128.72	281.22	7.66	-121.06
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])O1	REAL300006837966	1	35	-2.0	-95.80	345.48	1.25	-94.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CSC=C2)C(=O)[O-])=CS1	REAL300006838432	1	42	-2.0	-110.32	386.66	5.61	-104.71
CC1=C(CC(=O)NC(CC2=CSC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006838615	1	44	-2.0	-126.19	397.42	5.75	-120.44
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300006839504	1	31	-2.0	-98.90	298.85	5.47	-93.43
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006839514	1	34	-2.0	-117.33	329.42	7.95	-109.38
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300006839598	0	37	-2.0	-102.62	354.34	3.50	-99.12
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006839623	1	36	-2.0	-110.36	331.82	5.00	-105.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)=C1	REAL300006839672	0	47	-2.0	-131.66	413.92	8.57	-123.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)C=C1	REAL300006839673	0	47	-2.0	-130.33	413.61	8.63	-121.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300006839739	0	41	-2.0	-126.09	375.73	7.70	-118.39
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006839744	0	38	-2.0	-127.58	360.08	6.71	-120.87
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006839773	1	36	-2.0	-132.53	333.23	7.58	-124.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)=C1	REAL300006839906	0	41	-2.0	-134.74	378.41	7.30	-127.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300006839907	0	44	-2.0	-133.61	394.93	8.37	-125.24
CC1=C(CC(=O)NC(CC2=CSC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006839965	1	44	-2.0	-125.00	397.37	5.80	-119.20
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006840020	0	31	-2.0	-96.39	315.09	5.97	-90.42
COC1=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006840031	1	34	-2.0	-97.87	321.06	1.08	-96.79
O=C([O-])C(CC1=CSC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300006840105	0	34	-2.0	-104.76	318.03	4.25	-100.51
O=C([O-])C(CC1=CSC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300006840105	1	34	-2.0	-104.77	318.09	4.26	-100.51
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006840135	0	31	-2.0	-96.92	308.88	5.90	-91.02
CCOC1=CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006840139	1	38	-2.0	-101.22	359.70	7.00	-94.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)C=C1	REAL300006840145	0	42	-2.0	-129.91	383.14	5.95	-123.96
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CSC=C2)C(=O)[O-])=CO1	REAL300006840160	1	35	-2.0	-102.23	344.86	1.14	-101.09
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006840294	0	34	-2.0	-89.74	328.45	4.09	-85.65
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006840294	1	34	-2.0	-89.71	328.56	4.10	-85.61
COCC1=NC=C(C(=O)NC(CC2=CSC=C2)C(=O)[O-])C(=O)[N-]1	REAL300006840550	1	36	-2.0	-108.81	333.68	2.64	-106.17
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006840592	1	39	-2.0	-109.73	347.91	5.45	-104.28
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006840830	0	31	-2.0	-113.55	323.56	7.95	-105.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300006842479	0	39	-2.0	-112.65	314.62	7.64	-105.01
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300006842720	0	45	-2.0	-101.81	360.69	5.54	-96.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006843035	0	45	-2.0	-102.61	359.88	5.91	-96.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300006843085	1	47	-2.0	-106.97	383.41	10.70	-96.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300006843528	1	48	-2.0	-108.64	385.04	4.22	-104.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300006843529	1	39	-2.0	-107.03	331.43	1.69	-105.34
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006843802	0	42	-2.0	-100.90	340.35	4.90	-96.00
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CS1	REAL300006844171	1	46	-2.0	-96.46	372.83	6.09	-90.37
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006844407	0	42	-2.0	-97.85	345.72	4.94	-92.91
CC1=C(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006844410	1	48	-2.0	-108.52	383.86	6.14	-102.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300006844413	0	48	-2.0	-103.06	381.38	6.69	-96.37
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300006844493	1	48	-2.0	-119.25	361.54	6.86	-112.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006845524	1	38	-2.0	-100.07	315.52	8.34	-91.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300006845632	0	41	-2.0	-107.41	339.53	4.04	-103.37
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006845665	1	40	-2.0	-118.02	316.59	5.42	-112.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)=C1	REAL300006845723	0	51	-2.0	-125.48	399.38	9.07	-116.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)C=C1	REAL300006845724	0	51	-2.0	-121.53	400.43	8.97	-112.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300006845814	0	45	-2.0	-116.42	366.67	8.18	-108.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006845819	0	42	-2.0	-122.79	346.65	7.10	-115.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006845850	1	40	-2.0	-119.59	318.93	8.09	-111.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)=C1	REAL300006846003	0	45	-2.0	-124.80	365.00	7.69	-117.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300006846004	0	48	-2.0	-134.85	380.46	8.58	-126.27
CC1=C(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006846075	1	48	-2.0	-106.98	384.06	6.12	-100.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006846125	0	35	-2.0	-93.45	301.14	6.38	-87.07
COC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])NC(=O)[N-]C1=O	REAL300006846136	1	38	-2.0	-98.05	306.68	1.59	-96.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006846261	0	35	-2.0	-93.85	294.96	6.30	-87.55
CCOC1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006846264	1	42	-2.0	-100.58	345.98	7.35	-93.23
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)C=C1	REAL300006846276	0	46	-2.0	-121.32	368.65	6.45	-114.87
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CO1	REAL300006846299	1	39	-2.0	-90.14	331.44	1.57	-88.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006846456	0	38	-2.0	-92.72	315.09	4.45	-88.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006846456	1	38	-2.0	-92.64	315.16	4.45	-88.19
COCC1=NC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]1	REAL300006846775	1	40	-2.0	-114.75	317.54	3.50	-111.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006846819	1	43	-2.0	-118.31	332.35	5.96	-112.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006847117	0	35	-2.0	-99.16	308.31	8.51	-90.65
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006847417	0	43	-2.0	-121.91	342.66	5.87	-116.04
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300006849605	1	43	-2.0	-126.55	376.42	10.89	-115.66
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006849958	1	44	-2.0	-98.36	378.01	4.39	-93.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])O1	REAL300006849959	1	35	-2.0	-97.26	322.56	1.98	-95.28
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=CS1	REAL300006850443	1	42	-2.0	-110.65	366.77	6.20	-104.45
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006851533	1	31	-2.0	-102.47	275.34	5.83	-96.64
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006851542	1	34	-2.0	-114.69	304.77	7.76	-106.93
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300006851627	0	37	-2.0	-112.97	330.48	3.92	-109.05
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=N2)=C1	REAL300006851702	0	47	-2.0	-131.13	390.28	9.49	-121.64
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=N2)C=C1	REAL300006851703	0	47	-2.0	-129.87	390.22	9.48	-120.39
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300006851768	0	41	-2.0	-126.71	356.76	8.40	-118.31
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006851773	0	38	-2.0	-127.51	336.44	7.64	-119.87
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006851800	1	36	-2.0	-131.51	309.20	8.35	-123.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=N2)=C1	REAL300006851936	0	41	-2.0	-134.62	354.78	8.21	-126.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300006851937	0	44	-2.0	-132.60	371.30	9.36	-123.24
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006852047	0	31	-2.0	-101.09	291.31	6.39	-94.70
COC1=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300006852057	1	34	-2.0	-100.93	298.85	1.44	-99.49
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL300006852131	0	34	-2.0	-104.44	297.37	4.88	-99.56
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL300006852131	1	34	-2.0	-104.45	297.43	4.90	-99.55
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006852160	0	31	-2.0	-100.61	285.14	6.32	-94.29
CCOC1=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006852163	1	38	-2.0	-104.97	336.14	7.36	-97.61
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=N2)C=C1	REAL300006852169	0	42	-2.0	-129.59	359.50	6.86	-122.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=CO1	REAL300006852184	1	35	-2.0	-108.04	319.69	1.70	-106.34
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006852320	0	34	-2.0	-92.43	305.09	5.28	-87.15
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006852320	1	34	-2.0	-92.39	305.16	5.29	-87.10
COCC1=NC=C(C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C(=O)[N-]1	REAL300006852575	1	36	-2.0	-114.44	300.46	2.93	-111.51
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006852858	0	31	-2.0	-122.91	302.17	7.79	-115.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)O1	REAL300006855020	1	39	-2.0	-122.70	353.50	3.20	-119.50
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC2=C(C=C(C(=O)[O-])S2)C1	REAL300006855207	0	42	-2.0	-112.38	367.90	5.96	-106.42
CC1=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006855724	1	48	-2.0	-133.44	399.07	7.44	-126.00
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)S1	REAL300006856694	1	35	-2.0	-122.68	306.71	6.82	-115.86
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)S1	REAL300006856707	1	38	-2.0	-104.56	338.33	7.97	-96.59
O=C([O-])C1=CC2=C(CCCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300006856762	0	35	-2.0	-109.67	310.90	5.54	-104.13
O=C([O-])C1=CC2=C(CCCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300006856762	1	35	-2.0	-109.67	310.96	5.56	-104.11
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C=N1	REAL300006856834	0	41	-2.0	-133.68	362.43	4.81	-128.87
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)S1	REAL300006856864	1	40	-2.0	-112.73	349.33	6.39	-106.34
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CN=CC([O-])=C3)C2)S1	REAL300006856902	1	34	-2.0	-108.66	296.01	4.91	-103.75
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)S1	REAL300006857054	1	40	-2.0	-117.21	337.35	10.24	-106.97
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)S1	REAL300006857340	0	35	-2.0	-110.70	319.85	7.27	-103.43
COC1=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)NC(=O)[N-]C1=O	REAL300006857359	1	38	-2.0	-117.97	341.34	1.64	-116.33
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300006857452	0	38	-2.0	-106.32	332.39	6.34	-99.98
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300006857452	1	38	-2.0	-106.31	332.45	6.35	-99.96
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)S1	REAL300006857486	0	35	-2.0	-112.58	312.98	7.19	-105.39
CCOC1=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=CC(Cl)=C1[O-]	REAL300006857489	1	42	-2.0	-116.03	366.85	8.36	-107.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)=CO1	REAL300006857521	1	39	-2.0	-109.42	347.63	2.72	-106.70
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)S1	REAL300006857677	0	38	-2.0	-109.46	333.03	6.77	-102.69
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300006857677	1	38	-2.0	-109.47	333.09	6.77	-102.70
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=C[N-]N=CC3=O)C2)S1	REAL300006857948	0	33	-2.0	-116.35	300.05	5.57	-110.78
COCC1=NC=C(C(=O)N2CCCC3=C(C=C(C(=O)[O-])S3)C2)C(=O)[N-]1	REAL300006857980	1	40	-2.0	-115.37	339.45	3.81	-111.56
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)S1	REAL300006858026	1	43	-2.0	-112.63	365.18	6.94	-105.69
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)S1	REAL300006858320	0	35	-2.0	-101.90	334.84	7.93	-93.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)O1	REAL300006860543	1	39	-2.0	-97.42	359.40	2.16	-95.26
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CC2(CC(F)(F)C2)C1	REAL300006861944	1	35	-2.0	-105.06	313.03	6.36	-98.70
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2(CC(F)(F)C2)C1	REAL300006861956	1	38	-2.0	-129.26	343.35	8.44	-120.82
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300006861996	0	35	-2.0	-102.32	310.49	4.40	-97.92
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300006861996	1	35	-2.0	-102.31	310.55	4.41	-97.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=N1	REAL300006862059	0	41	-2.0	-107.49	368.27	4.47	-103.02
O=C([O-])C1(NC(=O)C2=CN=CC([O-])=C2)CC2(CC(F)(F)C2)C1	REAL300006862114	1	34	-2.0	-112.60	301.87	4.47	-108.13
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2(CC(F)(F)C2)C1	REAL300006862198	0	42	-2.0	-138.09	374.02	7.68	-130.41
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2(CC(F)(F)C2)C1	REAL300006862229	1	40	-2.0	-142.51	346.93	8.06	-134.45
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2(CC(F)(F)C2)C1	REAL300006862463	0	35	-2.0	-102.38	329.04	6.91	-95.47
COC1=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)NC(=O)[N-]C1=O	REAL300006862475	1	38	-2.0	-103.98	335.18	1.54	-102.44
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300006862552	0	38	-2.0	-113.53	331.96	5.19	-108.34
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300006862552	1	38	-2.0	-113.57	332.01	5.21	-108.36
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC2(CC(F)(F)C2)C1	REAL300006862583	0	35	-2.0	-103.17	322.83	6.85	-96.32
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=CC(Cl)=C1[O-]	REAL300006862587	1	42	-2.0	-107.64	373.86	7.89	-99.75
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=CO1	REAL300006862608	1	39	-2.0	-111.37	358.80	2.14	-109.23
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CC(F)(F)C2)C1	REAL300006862745	0	38	-2.0	-93.95	342.33	5.00	-88.95
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CC(F)(F)C2)C1	REAL300006862745	1	38	-2.0	-93.95	342.40	5.03	-88.92
O=C([O-])C1(NC(=O)C2=C[N-]N=CC2=O)CC2(CC(F)(F)C2)C1	REAL300006862968	0	33	-2.0	-102.29	293.84	4.93	-97.36
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C(=O)[N-]1	REAL300006862991	1	40	-2.0	-110.35	348.27	3.48	-106.87
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2(CC(F)(F)C2)C1	REAL300006863263	0	35	-2.0	-124.03	337.19	8.47	-115.56
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006863346	1	40	-2.0	-118.49	347.44	8.00	-110.49
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300006863664	1	40	-2.0	-126.12	351.74	8.12	-118.00
CN1C=C(C2OC3(CNC(=O)C4=CC=C([O-])C(F)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006864966	1	43	-2.0	-93.80	373.25	4.05	-89.75
CN1C=C(C2OC3(CNC(=O)CCC4=N[N-]N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300006865025	0	43	-2.0	-91.03	371.14	2.16	-88.87
CN1C=C(C2OC3(CNC(=O)CCC4=NN=N[N-]4)CC2(C(=O)[O-])C3)C=N1	REAL300006865025	1	43	-2.0	-90.99	371.19	2.17	-88.82
CN1C=C(C2OC3(CNC(=O)C4=CN=C(C5CC5)[N-]C4=O)CC2(C(=O)[O-])C3)C=N1	REAL300006865079	1	48	-2.0	-98.29	406.30	3.56	-94.73
CN1C=C(C2OC3(CNC(=O)C4=CN=CC([O-])=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865093	1	42	-2.0	-93.50	362.09	2.17	-91.33
CN1C=C(C2OC3(CNC(=O)CCCC4=NN=N[N-]4)CC2(C(=O)[O-])C3)C=N1	REAL300006865401	0	46	-2.0	-96.29	392.35	2.98	-93.31
CN1C=C(C2OC3(CNC(=O)CCCC4=N[N-]N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300006865401	1	46	-2.0	-96.24	392.30	2.96	-93.28
CN1C=C(C2OC3(CNC(=O)C4=CC=C([O-])C(Cl)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300006865421	0	43	-2.0	-90.44	383.05	4.54	-85.90
CN1C=C(C2OC3(CNC(=O)C4=C[N-]N=CC4=O)CC2(C(=O)[O-])C3)C=N1	REAL300006865644	0	41	-2.0	-88.21	354.31	2.61	-85.60
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300006868455	1	47	-2.0	-141.78	385.34	11.56	-130.22
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006868816	1	48	-2.0	-102.89	381.21	5.34	-97.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300006868817	1	39	-2.0	-101.64	327.59	2.80	-98.84
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CS1	REAL300006869315	1	46	-2.0	-128.66	375.48	6.54	-122.12
CC1=C(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006869509	1	48	-2.0	-141.01	386.52	6.84	-134.17
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006870379	1	38	-2.0	-117.59	307.65	8.25	-109.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300006870463	0	41	-2.0	-115.51	340.06	4.10	-111.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006870484	1	40	-2.0	-134.24	314.10	6.26	-127.98
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006870535	0	51	-2.0	-146.84	400.35	10.03	-136.81
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006870536	0	51	-2.0	-145.16	398.87	9.72	-135.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006870598	0	45	-2.0	-141.60	364.16	8.71	-132.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006870603	0	42	-2.0	-143.21	345.08	7.87	-135.34
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006870627	1	40	-2.0	-147.80	317.84	8.98	-138.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)=C1	REAL300006870751	0	45	-2.0	-151.58	364.64	8.92	-142.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300006870752	0	48	-2.0	-149.11	380.90	10.16	-138.95
CC1=C(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006870802	1	48	-2.0	-139.18	386.54	6.72	-132.46
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006870845	0	35	-2.0	-110.82	294.13	6.29	-104.53
COC1=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006870852	1	38	-2.0	-106.60	307.61	2.29	-104.31
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006870942	0	35	-2.0	-106.23	294.80	6.94	-99.29
CCOC1=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006870945	1	42	-2.0	-110.63	345.77	8.00	-102.63
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)C=C1	REAL300006870953	0	46	-2.0	-144.71	368.15	7.10	-137.61
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CO1	REAL300006870967	1	39	-2.0	-111.21	327.31	1.77	-109.44
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006871095	0	38	-2.0	-98.38	313.96	5.84	-92.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006871095	1	38	-2.0	-98.40	314.03	5.85	-92.55
COCC1=NC=C(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(=O)[N-]1	REAL300006871341	1	40	-2.0	-128.51	311.64	3.53	-124.98
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006871378	1	43	-2.0	-121.91	343.35	6.02	-115.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006871604	0	35	-2.0	-115.93	303.11	8.32	-107.61
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)O1	REAL300006874423	1	45	-2.0	-93.72	387.51	3.70	-90.02
CC1=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006875046	1	54	-2.0	-98.29	419.33	8.55	-89.74
COC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C([O-])=C1	REAL300006875451	1	45	-2.0	-117.67	361.78	8.69	-108.98
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C2)CCCC1	REAL300006875946	1	41	-2.0	-96.32	340.75	7.93	-88.39
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=C2)CCCC1	REAL300006875960	1	44	-2.0	-108.76	371.07	10.38	-98.38
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CCCC1	REAL300006876021	0	41	-2.0	-95.58	338.00	6.00	-89.58
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CCCC1	REAL300006876021	1	41	-2.0	-95.60	338.05	6.01	-89.59
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=C2)CCCC1	REAL300006876115	1	46	-2.0	-97.18	373.49	7.50	-89.68
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C2)CCCC1	REAL300006876142	1	40	-2.0	-104.95	329.71	6.05	-98.90
O=C([O-])C1(C2=CC=C(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C=C2)CCCC1	REAL300006876283	0	46	-2.0	-124.81	375.02	10.01	-114.80
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=C2)CCCC1	REAL300006876557	0	41	-2.0	-94.35	356.75	8.49	-85.86
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CCCC1	REAL300006876667	0	44	-2.0	-105.28	359.50	6.78	-98.50
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CCCC1	REAL300006876667	1	44	-2.0	-105.32	359.55	6.80	-98.52
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C2)CCCC1	REAL300006876699	0	41	-2.0	-93.43	350.55	8.42	-85.01
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)=CO1	REAL300006876729	1	45	-2.0	-107.06	386.65	3.68	-103.38
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CCCC1	REAL300006876870	0	44	-2.0	-90.95	370.41	6.56	-84.39
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CCCC1	REAL300006876870	1	44	-2.0	-90.94	370.49	6.58	-84.36
O=C([O-])C1(C2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C2)CCCC1	REAL300006877115	0	39	-2.0	-88.56	321.79	6.48	-82.08
COCC1=NC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CCCC3)C=C2)C(=O)[N-]1	REAL300006877147	1	46	-2.0	-96.30	375.59	5.08	-91.22
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=C2)CCCC1	REAL300006877188	1	49	-2.0	-95.25	389.75	7.97	-87.28
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=C2)CCCC1	REAL300006877462	0	41	-2.0	-104.48	365.15	10.42	-94.06
CC1=C(CCC(=O)N2CC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006878681	1	51	-2.0	-98.76	406.62	7.20	-91.56
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300006879029	0	41	-2.0	-111.21	346.82	4.44	-106.77
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006879339	0	41	-2.0	-112.37	346.89	4.68	-107.69
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300006879385	1	43	-2.0	-101.45	369.55	10.11	-91.34
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300006879567	1	45	-2.0	-102.30	380.01	6.63	-95.67
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300006879568	1	45	-2.0	-101.14	380.18	6.62	-94.52
CC1=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006879581	0	41	-2.0	-92.95	361.41	4.82	-88.13
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300006879813	0	42	-2.0	-106.50	371.93	5.63	-100.87
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)O1	REAL300006879831	1	44	-2.0	-90.67	369.21	3.50	-87.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)O1	REAL300006879832	1	35	-2.0	-90.38	315.60	0.95	-89.43
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300006880072	0	45	-2.0	-119.24	382.03	2.65	-116.59
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006880118	0	38	-2.0	-110.69	325.43	3.77	-106.92
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300006880126	0	42	-2.0	-99.67	372.12	5.64	-94.03
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@H](CC(=O)[O-])C2)=CS1	REAL300006880478	1	42	-2.0	-96.25	359.91	5.43	-90.82
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006880686	0	38	-2.0	-103.64	332.13	3.83	-99.81
CC1=C(CC(=O)N2CC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006880693	1	44	-2.0	-101.60	369.88	5.57	-96.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006880698	0	44	-2.0	-112.88	368.32	5.47	-107.41
CC1=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006880760	1	44	-2.0	-113.44	357.65	5.15	-108.29
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300006880859	1	45	-2.0	-99.13	380.17	6.63	-92.50
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300006881408	0	44	-2.0	-113.68	371.14	6.00	-107.68
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006881577	1	34	-2.0	-114.35	301.77	6.65	-107.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300006881664	0	37	-2.0	-105.02	321.12	2.82	-102.20
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300006881725	1	44	-2.0	-95.55	375.21	4.86	-90.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300006881740	0	47	-2.0	-124.19	383.52	8.48	-115.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006881741	0	47	-2.0	-123.01	383.70	8.48	-114.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@H](CC(=O)[O-])C2)=N1	REAL300006881810	0	41	-2.0	-119.82	339.66	7.29	-112.53
O=C([O-])C[C@H]1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006881814	0	38	-2.0	-121.93	329.67	6.62	-115.31
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O=C([O-])C[C@H]1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006881853	0	38	-2.0	-86.60	341.72	4.05	-82.55
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300006881940	0	41	-2.0	-128.23	348.01	7.21	-121.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@H](CC(=O)[O-])C2)=N1	REAL300006881941	0	44	-2.0	-126.02	349.21	7.80	-118.22
CC1=C(CC(=O)N2CC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006881982	1	44	-2.0	-100.16	370.05	5.56	-94.60
O=C([O-])C[C@H]1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006882014	0	31	-2.0	-94.81	281.93	5.25	-89.56
CCOC1=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006882098	1	38	-2.0	-100.48	326.77	6.22	-94.26
O=C([O-])C[C@H]1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006882102	0	41	-2.0	-128.05	354.30	7.82	-120.23
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006882109	0	42	-2.0	-122.99	353.03	5.85	-117.14
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@H](CC(=O)[O-])C2)=CO1	REAL300006882126	1	35	-2.0	-101.11	311.73	0.61	-100.50
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006882246	0	34	-2.0	-87.45	297.83	4.24	-83.21
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006882246	1	34	-2.0	-87.46	297.90	4.25	-83.21
O=C([O-])C[C@H]1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006882506	1	39	-2.0	-111.21	326.78	4.92	-106.29
O=C([O-])C[C@H]1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006882709	0	31	-2.0	-108.88	295.59	6.85	-102.03
CC1=C(C(=O)N2CC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006882932	0	39	-2.0	-116.44	337.93	4.41	-112.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])O1	REAL300006884015	1	43	-2.0	-101.01	381.99	3.33	-97.68
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300006885229	1	39	-2.0	-105.08	333.23	7.46	-97.62
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006885242	1	42	-2.0	-120.23	367.13	9.37	-110.86
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCC1=N[N-]N=N1	REAL300006885286	0	39	-2.0	-101.69	335.90	5.58	-96.11
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300006885286	1	39	-2.0	-101.66	335.95	5.59	-96.07
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006885359	1	44	-2.0	-117.98	377.16	7.16	-110.82
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CN=CC([O-])=C1	REAL300006885382	1	38	-2.0	-110.49	318.10	4.67	-105.82
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006885480	1	44	-2.0	-141.80	367.29	10.11	-131.69
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006885706	0	39	-2.0	-104.99	343.38	7.10	-97.89
COC1=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006885719	1	42	-2.0	-103.38	356.51	3.19	-100.19
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300006885789	0	42	-2.0	-110.84	356.48	6.68	-104.16
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300006885789	1	42	-2.0	-110.86	356.54	6.69	-104.17
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300006885817	0	39	-2.0	-102.76	343.02	7.96	-94.80
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=CO1	REAL300006885837	1	43	-2.0	-106.02	378.71	3.08	-102.94
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006885954	0	42	-2.0	-94.80	362.72	6.87	-87.93
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006885954	1	42	-2.0	-94.79	362.78	6.87	-87.92
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300006886144	0	37	-2.0	-106.67	324.14	6.10	-100.57
COCC1=NC=C(C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300006886166	1	44	-2.0	-126.71	367.00	4.83	-121.88
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006886202	1	47	-2.0	-127.76	376.10	7.68	-120.08
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006886406	0	39	-2.0	-117.20	361.20	9.40	-107.80
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300006887425	0	51	-2.0	-106.98	411.19	6.25	-100.73
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006887680	0	51	-2.0	-101.89	409.74	6.41	-95.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300006888076	1	45	-2.0	-92.50	382.25	2.27	-90.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006888306	0	48	-2.0	-100.50	388.28	5.51	-94.99
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=CS1	REAL300006888625	1	52	-2.0	-107.06	424.01	6.68	-100.38
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006888830	0	48	-2.0	-100.00	396.21	5.64	-94.36
CC1=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006888919	1	54	-2.0	-92.59	413.15	7.03	-85.56
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C([O-])C(F)=C3)C2)CC1	REAL300006889960	1	41	-2.0	-93.11	334.12	6.46	-86.65
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)CC1	REAL300006889973	1	44	-2.0	-107.68	365.95	9.03	-98.65
O=C(CCC1=N[N-]N=N1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006890014	0	41	-2.0	-94.42	333.11	4.57	-89.85
O=C(CCC1=NN=N[N-]1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006890014	1	41	-2.0	-94.40	333.16	4.59	-89.81
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C=N1	REAL300006890101	0	47	-2.0	-94.84	389.36	4.55	-90.29
O=C([O-])C1CCC2(CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)CC1	REAL300006890136	1	46	-2.0	-91.60	367.20	5.95	-85.65
O=C([O-])C1CCC2(CC(NC(=O)C3=CN=CC([O-])=C3)C2)CC1	REAL300006890178	1	40	-2.0	-95.40	322.96	4.57	-90.83
O=C([O-])C1CCC2(CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2)CC1	REAL300006890292	0	48	-2.0	-115.84	396.61	7.81	-108.03
O=C([O-])C1CCC2(CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)CC1	REAL300006890338	1	46	-2.0	-109.14	368.26	8.60	-100.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=N1	REAL300006890505	0	54	-2.0	-119.82	431.46	9.47	-110.35
O=C([O-])C1CCC2(CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)CC1	REAL300006890640	0	41	-2.0	-90.81	350.13	7.02	-83.79
COC1=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)NC(=O)[N-]C1=O	REAL300006890658	1	44	-2.0	-93.60	356.24	2.07	-91.53
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006890758	0	44	-2.0	-103.19	354.57	5.35	-97.84
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300006890758	1	44	-2.0	-103.18	354.62	5.37	-97.81
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)C2)CC1	REAL300006890798	0	41	-2.0	-89.82	343.92	6.95	-82.87
CCOC1=CC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=CC(Cl)=C1[O-]	REAL300006890801	1	48	-2.0	-94.19	394.96	7.99	-86.20
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC4(C3)CCC(C(=O)[O-])CC4)=N2)C=C1	REAL300006890810	0	52	-2.0	-116.85	419.67	7.04	-109.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)=CO1	REAL300006890834	1	45	-2.0	-102.90	381.42	2.26	-100.64
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300006891002	0	44	-2.0	-85.79	363.66	5.09	-80.70
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300006891002	1	44	-2.0	-85.78	363.73	5.10	-80.68
O=C([O-])C1CCC2(CC(NC(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300006891295	0	39	-2.0	-83.51	315.14	5.01	-78.50
COCC1=NC=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C(=O)[N-]1	REAL300006891330	1	46	-2.0	-93.85	370.58	3.67	-90.18
O=C([O-])C1CCC2(CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)CC1	REAL300006891380	1	49	-2.0	-91.55	382.95	6.50	-85.05
O=C([O-])C1CCC2(CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)CC1	REAL300006891700	0	41	-2.0	-103.49	360.02	9.07	-94.42
CC1=C(C(=O)NC2CC3(C2)CCC(C(=O)[O-])CC3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006892002	0	49	-2.0	-95.76	393.35	6.11	-89.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=C1	REAL300006894000	0	39	-2.0	-105.31	348.98	4.12	-101.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006894319	0	39	-2.0	-105.67	349.07	4.38	-101.29
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=C1	REAL300006894370	1	41	-2.0	-113.32	372.23	9.77	-103.55
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)O1	REAL300006894817	1	42	-2.0	-89.46	373.57	3.03	-86.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)O1	REAL300006894818	1	33	-2.0	-88.94	318.11	0.62	-88.32
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006895092	0	36	-2.0	-104.23	327.61	3.48	-100.75
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=CS1	REAL300006895458	1	40	-2.0	-109.66	362.59	5.09	-104.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006895697	0	36	-2.0	-98.08	334.01	3.50	-94.58
CC1=C(CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006895700	1	42	-2.0	-112.98	372.53	5.23	-107.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=C(C1)C(C(=O)[O-])=CO2	REAL300006895703	0	42	-2.0	-106.06	370.57	5.17	-100.89
CC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006895783	1	42	-2.0	-104.98	360.01	5.03	-99.95
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300006896805	1	32	-2.0	-105.06	303.73	6.54	-98.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C=N1	REAL300006896913	0	35	-2.0	-100.77	323.48	2.52	-98.25
O=C([O-])C1=COC2=C1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300006896946	1	34	-2.0	-103.60	313.54	4.00	-99.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=N2)=C1	REAL300006897004	0	45	-2.0	-115.81	386.27	8.14	-107.67
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=N2)C=C1	REAL300006897005	0	45	-2.0	-114.96	386.20	8.15	-106.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=N1	REAL300006897092	0	39	-2.0	-112.22	353.43	7.23	-104.99
O=C([O-])C1=COC2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300006897097	0	36	-2.0	-113.52	332.42	6.29	-107.23
O=C([O-])C1=COC2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300006897127	1	34	-2.0	-116.90	304.87	7.43	-109.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=N2)=C1	REAL300006897275	0	39	-2.0	-119.27	350.76	6.87	-112.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=N1	REAL300006897276	0	42	-2.0	-117.40	365.05	7.87	-109.53
CC1=C(CC(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006897346	1	42	-2.0	-111.67	372.72	5.22	-106.45
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300006897395	0	29	-2.0	-91.22	284.30	4.96	-86.26
COC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)NC(=O)[N-]C1=O	REAL300006897406	1	32	-2.0	-91.37	290.71	0.60	-90.77
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300006897527	0	29	-2.0	-90.79	278.09	4.89	-85.90
CCOC1=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=CC(Cl)=C1[O-]	REAL300006897530	1	36	-2.0	-94.98	329.14	5.93	-89.05
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4=C(C3)C(C(=O)[O-])=CO4)=N2)C=C1	REAL300006897542	0	40	-2.0	-115.21	355.48	5.52	-109.69
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)=CO1	REAL300006897565	1	33	-2.0	-98.23	314.23	0.29	-97.94
CC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C2=C([N-]C=NC2=O)O1	REAL300006897666	0	33	-2.0	-104.11	310.58	2.38	-101.73
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300006897719	0	32	-2.0	-86.55	300.32	3.87	-82.68
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300006897719	1	32	-2.0	-86.57	300.39	3.88	-82.69
COCC1=NC=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(=O)[N-]1	REAL300006898031	1	34	-2.0	-102.45	315.40	1.65	-100.80
O=C([O-])C1=COC2=C1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300006898076	1	37	-2.0	-102.83	329.31	4.54	-98.29
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300006898371	0	29	-2.0	-101.03	297.81	6.59	-94.44
CC1=C(C(=O)N2CC3=C(C2)C(C(=O)[O-])=CO3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006898657	0	37	-2.0	-107.43	340.25	4.10	-103.33
CC1=C(CCC(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006899193	1	52	-2.0	-108.56	407.50	5.82	-102.74
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006899548	0	42	-2.0	-99.95	340.07	2.90	-97.05
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006899858	0	42	-2.0	-101.83	344.35	3.12	-98.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOCC(C(=O)[O-])C2)C=C1	REAL300006899908	1	44	-2.0	-115.63	370.95	8.69	-106.94
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)O1	REAL300006900360	1	45	-2.0	-118.94	369.90	2.25	-116.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)O1	REAL300006900361	1	36	-2.0	-118.12	316.30	-0.28	-118.40
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOCC(C(=O)[O-])C2)=C1	REAL300006900592	0	46	-2.0	-101.97	373.79	1.22	-100.75
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006900638	0	39	-2.0	-100.62	322.88	2.23	-98.39
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOCC(C(=O)[O-])C2)=CS1	REAL300006901010	1	43	-2.0	-114.96	362.70	4.09	-110.87
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006901247	0	39	-2.0	-100.06	331.10	2.29	-97.77
CC1=C(CC(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006901250	1	45	-2.0	-115.78	371.28	4.19	-111.59
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006901253	0	45	-2.0	-102.39	365.84	3.91	-98.48
CC1=C(C(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006901324	1	45	-2.0	-115.23	358.46	4.09	-111.14
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCOCC(C(=O)[O-])C1	REAL300006902088	0	45	-2.0	-119.07	375.27	4.74	-114.33
O=C([O-])C1COCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006902282	1	35	-2.0	-115.37	305.89	4.83	-110.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C=N1	REAL300006902383	0	38	-2.0	-116.26	322.57	1.38	-114.88
O=C([O-])C1COCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006902413	1	37	-2.0	-113.33	311.87	2.98	-110.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOCC(C(=O)[O-])C3)=N2)=C1	REAL300006902467	0	48	-2.0	-126.44	384.91	7.27	-119.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC(C(=O)[O-])C3)=N2)C=C1	REAL300006902468	0	48	-2.0	-125.14	383.90	7.21	-117.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOCC(C(=O)[O-])C2)=N1	REAL300006902546	0	42	-2.0	-122.12	357.58	5.79	-116.33
O=C([O-])C1COCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006902551	0	39	-2.0	-124.59	331.06	5.42	-119.17
O=C([O-])C1COCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006902577	1	37	-2.0	-113.29	298.77	6.74	-106.55
O=C([O-])C1COCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006902597	0	39	-2.0	-88.10	344.61	2.76	-85.34
O=C([O-])C1COCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006902646	0	31	-2.0	-95.69	282.65	2.37	-93.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOCC(C(=O)[O-])C3)=N2)=C1	REAL300006902711	0	42	-2.0	-131.05	349.92	6.04	-125.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC(C(=O)[O-])C2)=N1	REAL300006902712	0	45	-2.0	-128.52	371.35	6.50	-122.02
CC1=C(CC(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006902772	1	45	-2.0	-114.19	372.37	4.22	-109.97
O=C([O-])C1COCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006902817	0	32	-2.0	-101.96	283.59	3.92	-98.04
COC1=C(C(=O)N2CCOCC(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006902825	1	35	-2.0	-92.90	300.63	-1.99	-94.89
CCOC1=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006902931	1	39	-2.0	-105.82	328.49	4.91	-100.91
O=C([O-])C1COCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006902935	0	42	-2.0	-128.37	360.22	6.19	-122.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC(C(=O)[O-])C3)=N2)C=C1	REAL300006902943	0	43	-2.0	-125.01	353.18	4.59	-120.42
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOCC(C(=O)[O-])C2)=CO1	REAL300006902963	1	36	-2.0	-91.73	316.22	-0.61	-92.34
O=C([O-])C1COCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006903094	0	35	-2.0	-95.63	291.23	3.38	-92.25
O=C([O-])C1COCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006903094	1	35	-2.0	-95.57	291.29	3.38	-92.19
COCC1=NC=C(C(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]1	REAL300006903371	1	37	-2.0	-111.21	313.97	0.56	-110.65
O=C([O-])C1COCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006903412	1	40	-2.0	-112.93	327.72	3.53	-109.40
O=C([O-])C1COCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006903672	0	32	-2.0	-97.14	294.40	4.40	-92.74
CC1=C(C(=O)N2CCOCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006903932	0	40	-2.0	-116.09	341.02	3.06	-113.03
CC1=C(CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300006904928	0	52	-2.0	-113.08	411.49	6.95	-106.13
CC1=C(CCC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006904928	1	52	-2.0	-113.08	411.49	6.95	-106.13
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=C1	REAL300006905482	1	44	-2.0	-124.10	375.87	10.32	-113.78
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])O1	REAL300006905840	1	45	-2.0	-100.40	379.97	3.59	-96.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])O1	REAL300006905841	1	36	-2.0	-99.17	324.51	1.18	-97.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=CS1	REAL300006906339	1	43	-2.0	-103.53	366.24	5.59	-97.94
CC1=C(CC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006906531	1	45	-2.0	-109.05	377.08	5.80	-103.25
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006907282	1	35	-2.0	-110.74	308.18	7.95	-102.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C=N1	REAL300006907357	0	38	-2.0	-103.66	333.01	3.52	-100.14
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006907375	1	37	-2.0	-112.35	310.83	4.95	-107.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=N2)=C1	REAL300006907424	0	48	-2.0	-129.03	392.56	8.56	-120.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=N2)C=C1	REAL300006907425	0	48	-2.0	-126.97	392.56	8.56	-118.41
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=N1	REAL300006907476	0	42	-2.0	-121.98	354.67	7.63	-114.35
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006907480	0	39	-2.0	-126.07	338.77	6.71	-119.36
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006907498	1	37	-2.0	-127.53	311.90	7.58	-119.95
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006907515	0	39	-2.0	-91.55	354.23	4.81	-86.74
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300006907555	0	31	-2.0	-96.24	293.58	4.53	-91.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=N2)=C1	REAL300006907602	0	42	-2.0	-131.37	357.11	7.29	-124.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=N1	REAL300006907603	0	45	-2.0	-129.06	366.48	8.45	-120.61
CC1=C(CC(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006907643	1	45	-2.0	-106.82	376.35	5.73	-101.09
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006907675	0	32	-2.0	-95.18	293.75	6.00	-89.18
COC1=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300006907681	1	35	-2.0	-96.73	299.99	1.05	-95.68
CCOC1=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006907756	1	39	-2.0	-100.76	338.69	6.96	-93.80
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006907759	0	42	-2.0	-133.19	362.25	8.08	-125.11
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC=CC[C@H]3C(=O)[O-])=N2)C=C1	REAL300006907764	0	43	-2.0	-126.57	361.84	5.94	-120.63
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])=CO1	REAL300006907775	1	36	-2.0	-97.98	323.65	1.16	-96.82
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006907876	0	35	-2.0	-90.78	307.39	4.07	-86.71
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006907876	1	35	-2.0	-90.78	307.46	4.07	-86.71
COCC1=NC=C(C(=O)N[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300006908081	1	37	-2.0	-110.60	312.80	2.59	-108.01
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006908112	1	40	-2.0	-112.56	326.58	5.50	-107.06
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006908303	0	32	-2.0	-107.51	302.25	7.98	-99.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCOC(CC(=O)[O-])C2)=C1	REAL300006909570	0	45	-2.0	-99.04	374.38	4.02	-95.02
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC(CC(=O)[O-])C1	REAL300006909879	0	45	-2.0	-100.08	374.44	4.23	-95.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCOC(CC(=O)[O-])C2)C=C1	REAL300006909926	1	47	-2.0	-103.17	396.48	9.15	-94.02
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)O1	REAL300006910362	1	48	-2.0	-102.24	400.88	2.45	-99.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)O1	REAL300006910363	1	39	-2.0	-101.27	345.43	0.03	-101.24
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC(CC(=O)[O-])C1	REAL300006910636	0	42	-2.0	-98.67	352.97	3.34	-95.33
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCOC(CC(=O)[O-])C2)=CS1	REAL300006910987	1	46	-2.0	-103.24	390.97	4.09	-99.15
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCOC(CC(=O)[O-])C1	REAL300006911225	0	42	-2.0	-94.87	359.40	3.41	-91.46
CC1=C(CC(=O)NC2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006911228	1	48	-2.0	-107.27	401.85	4.28	-102.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC(CC(=O)[O-])C1	REAL300006911231	0	48	-2.0	-100.53	395.94	5.02	-95.51
CC1=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006911312	1	48	-2.0	-93.30	381.55	4.52	-88.78
O=C([O-])CC1CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300006912345	1	38	-2.0	-98.17	329.12	6.80	-91.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C=N1	REAL300006912453	0	41	-2.0	-95.41	357.88	2.03	-93.38
O=C([O-])CC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300006912487	1	40	-2.0	-105.39	331.78	3.77	-101.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCOC(CC(=O)[O-])C3)=N2)=C1	REAL300006912546	0	51	-2.0	-115.17	413.62	7.40	-107.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCOC(CC(=O)[O-])C3)=N2)C=C1	REAL300006912547	0	51	-2.0	-112.93	413.55	7.40	-105.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCOC(CC(=O)[O-])C2)=N1	REAL300006912638	0	45	-2.0	-107.82	375.68	6.48	-101.34
O=C([O-])CC1CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300006912643	0	42	-2.0	-109.20	359.77	5.55	-103.65
O=C([O-])CC1CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300006912675	1	40	-2.0	-111.11	332.94	6.43	-104.68
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCOC(CC(=O)[O-])C3)=N2)=C1	REAL300006912834	0	45	-2.0	-116.22	378.11	6.14	-110.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCOC(CC(=O)[O-])C2)=N1	REAL300006912835	0	48	-2.0	-112.76	387.62	7.28	-105.48
CC1=C(CC(=O)NC2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006912906	1	48	-2.0	-102.43	397.30	4.57	-97.86
O=C([O-])CC1CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300006912958	0	35	-2.0	-93.10	314.81	4.84	-88.26
COC1=C(C(=O)NC2CCOC(CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006912971	1	38	-2.0	-97.60	320.95	-0.10	-97.70
O=C([O-])CC1CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCO1	REAL300006913100	0	35	-2.0	-90.26	312.41	4.43	-85.83
CCOC1=CC(C(=O)NC2CCOC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006913103	1	42	-2.0	-98.22	359.65	5.80	-92.42
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCOC(CC(=O)[O-])C3)=N2)C=C1	REAL300006913115	0	46	-2.0	-113.08	382.84	4.79	-108.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCOC(CC(=O)[O-])C2)=CO1	REAL300006913138	1	39	-2.0	-97.95	348.39	-0.34	-98.29
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300006913294	0	38	-2.0	-91.24	328.34	2.92	-88.32
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300006913294	1	38	-2.0	-91.18	328.40	2.93	-88.25
COCC1=NC=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C(=O)[N-]1	REAL300006913611	1	40	-2.0	-104.09	333.61	1.42	-102.67
O=C([O-])CC1CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300006913655	1	43	-2.0	-105.60	347.53	4.32	-101.28
O=C([O-])CC1CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300006913957	0	35	-2.0	-95.79	323.18	6.84	-88.95
CC1=C(C(=O)NC2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006914256	0	43	-2.0	-110.27	357.25	3.90	-106.37
CC1=C(CCC(=O)NC2(CC(=O)[O-])CCC2)C(=O)NC(N2CCOCC2)=N1	REAL300006914748	0	51	-2.0	-114.43	404.25	6.51	-107.92
CC1=C(CCC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006914748	1	51	-2.0	-114.43	404.25	6.51	-107.92
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300006915277	1	43	-2.0	-104.85	369.49	9.42	-95.43
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCC1	REAL300006915424	1	45	-2.0	-107.16	385.57	6.54	-100.62
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCC1	REAL300006915425	1	45	-2.0	-108.92	385.74	6.53	-102.39
CC1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300006915436	0	41	-2.0	-90.63	367.00	4.71	-85.92
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCC1	REAL300006915620	0	42	-2.0	-105.12	377.50	5.54	-99.58
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)O1	REAL300006915637	1	44	-2.0	-101.36	373.49	2.75	-98.61
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)O1	REAL300006915638	1	35	-2.0	-100.01	318.04	0.35	-99.66
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCC1	REAL300006915866	0	42	-2.0	-107.00	377.68	5.54	-101.46
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCC2)=CS1	REAL300006916120	1	42	-2.0	-103.01	359.16	4.75	-98.26
CC1=C(CC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006916292	1	44	-2.0	-108.64	369.14	4.90	-103.74
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCC1	REAL300006916421	1	45	-2.0	-98.52	385.73	6.53	-91.99
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1	REAL300006916953	1	34	-2.0	-114.37	301.76	7.04	-107.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300006917019	0	37	-2.0	-103.96	326.06	2.68	-101.28
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCC1	REAL300006917064	1	44	-2.0	-94.00	380.78	4.76	-89.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)=C1	REAL300006917078	0	47	-2.0	-129.30	385.88	7.57	-121.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300006917079	0	47	-2.0	-127.48	385.81	7.57	-119.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300006917126	0	41	-2.0	-122.76	352.71	6.71	-116.05
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1	REAL300006917130	0	38	-2.0	-124.36	332.03	5.71	-118.65
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1	REAL300006917145	1	36	-2.0	-130.54	305.55	6.68	-123.86
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCC1	REAL300006917161	0	38	-2.0	-92.10	347.29	3.96	-88.14
O=C([O-])CC1(NC(=O)C2=CN=C(I)C([O-])=C2)CCC1	REAL300006917191	0	30	-2.0	-96.88	286.52	3.70	-93.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)=C1	REAL300006917223	0	41	-2.0	-131.02	350.12	6.41	-124.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300006917224	0	44	-2.0	-130.07	359.36	7.55	-122.52
CC1=C(CC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006917249	1	44	-2.0	-107.57	369.59	4.76	-102.81
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1	REAL300006917274	0	31	-2.0	-94.70	286.38	5.22	-89.48
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CC(Cl)=C1[O-]	REAL300006917332	1	38	-2.0	-100.14	331.23	6.20	-93.94
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC1	REAL300006917335	0	41	-2.0	-132.68	355.27	7.21	-125.47
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300006917339	0	42	-2.0	-127.01	355.10	4.95	-122.06
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CO1	REAL300006917349	1	35	-2.0	-100.54	317.16	0.30	-100.24
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300006917443	0	34	-2.0	-91.59	300.96	3.23	-88.36
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300006917443	1	34	-2.0	-91.60	301.02	3.23	-88.37
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC1	REAL300006917642	1	39	-2.0	-111.63	319.58	4.69	-106.94
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300006917795	0	31	-2.0	-105.81	294.85	6.85	-98.96
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300006922569	0	48	-2.0	-105.69	393.48	5.91	-99.78
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006922868	0	48	-2.0	-106.04	393.33	6.14	-99.90
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006923326	1	51	-2.0	-102.90	419.76	4.36	-98.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300006923327	1	42	-2.0	-101.73	364.31	1.95	-99.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006923588	0	45	-2.0	-104.68	371.86	5.25	-99.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=CS1	REAL300006923928	1	49	-2.0	-98.90	406.24	6.34	-92.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006924158	0	45	-2.0	-99.89	378.50	5.30	-94.59
CC1=C(CC(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006924160	1	51	-2.0	-106.42	417.13	6.54	-99.88
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006924163	0	51	-2.0	-106.54	414.83	6.93	-99.61
CC1=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006924246	1	51	-2.0	-118.71	396.67	6.76	-111.95
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(F)=C2)CC2(CCC2)C1	REAL300006925304	1	38	-2.0	-98.05	317.90	6.16	-91.89
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2(CCC2)C1	REAL300006925316	1	41	-2.0	-104.66	348.00	8.73	-95.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C=N1	REAL300006925422	0	44	-2.0	-104.38	372.91	4.26	-100.12
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2(CCC2)C1	REAL300006925457	1	43	-2.0	-116.18	350.73	5.69	-110.49
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)=N2)=C1	REAL300006925515	0	54	-2.0	-125.97	432.68	9.31	-116.66
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)=N2)C=C1	REAL300006925516	0	54	-2.0	-123.04	432.66	9.31	-113.73
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006925612	0	48	-2.0	-118.75	400.18	8.41	-110.34
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2(CCC2)C1	REAL300006925617	0	45	-2.0	-123.48	378.88	7.46	-116.02
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2(CCC2)C1	REAL300006925659	1	43	-2.0	-123.57	351.82	8.35	-115.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4(CCC4)C3)=N2)=C1	REAL300006925824	0	48	-2.0	-126.88	397.22	8.04	-118.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300006925825	0	51	-2.0	-124.19	406.59	9.20	-114.99
CC1=C(CC(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006925902	1	51	-2.0	-104.57	416.39	6.49	-98.08
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300006925964	0	38	-2.0	-94.00	333.68	6.73	-87.27
COC1=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)NC(=O)[N-]C1=O	REAL300006925981	1	41	-2.0	-95.72	339.83	1.83	-93.89
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006926080	0	41	-2.0	-93.67	336.62	5.03	-88.64
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300006926080	1	41	-2.0	-93.66	336.69	5.04	-88.62
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300006926117	0	38	-2.0	-94.93	327.69	6.66	-88.27
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=CC(Cl)=C1[O-]	REAL300006926121	1	45	-2.0	-99.36	378.52	7.71	-91.65
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C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)=CO1	REAL300006926155	1	42	-2.0	-92.93	363.67	1.91	-91.02
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COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CC3(CCC3)C2)C(=O)[N-]1	REAL300006926656	1	43	-2.0	-114.34	352.57	3.34	-111.00
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCC3)O1	REAL300006929615	1	48	-2.0	-88.89	383.28	4.15	-84.74
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCC3)O1	REAL300006929616	1	39	-2.0	-88.08	328.51	1.71	-86.37
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C23CCC3)=CS1	REAL300006930114	1	46	-2.0	-102.49	374.68	6.14	-96.35
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C34CCC4)=N2)=C1	REAL300006931334	0	51	-2.0	-113.29	397.31	9.26	-104.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C34CCC4)=N2)C=C1	REAL300006931335	0	51	-2.0	-112.11	397.24	9.26	-102.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C23CCC3)=N1	REAL300006931397	0	45	-2.0	-109.13	363.83	8.35	-100.78
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COC1=C(C(=O)N2CCC(C(=O)[O-])C23CCC3)NC(=O)[N-]C1=O	REAL300006931651	1	38	-2.0	-89.76	305.08	1.48	-88.28
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CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCC3)=CC(Cl)=C1[O-]	REAL300006931744	1	42	-2.0	-91.50	341.07	7.00	-84.50
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C34CCC4)=N2)C=C1	REAL300006931752	0	46	-2.0	-112.06	366.53	6.64	-105.42
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCC3)=CO1	REAL300006931766	1	39	-2.0	-93.60	327.06	1.41	-92.19
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COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C23CCC3)C(=O)[N-]1	REAL300006932140	1	40	-2.0	-93.80	322.20	2.69	-91.11
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CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CCC1(C(=O)[O-])CC2	REAL300006936386	0	45	-2.0	-87.18	346.18	3.19	-83.99
CC1(C)OC2(CNC(=O)CCC3=NN=N[N-]3)CCC1(C(=O)[O-])CC2	REAL300006936386	1	45	-2.0	-87.16	346.24	3.20	-83.96
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CC1(C)OC2(CNC(=O)C3=CN=CC([O-])=C3)CCC1(C(=O)[O-])CC2	REAL300006936490	1	44	-2.0	-90.34	337.34	3.20	-87.14
CC1(C)OC2(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCC1(C(=O)[O-])CC2	REAL300006936610	1	50	-2.0	-104.72	382.88	7.29	-97.43
CC1(C)OC2(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCC1(C(=O)[O-])CC2	REAL300006936865	0	45	-2.0	-87.99	364.82	5.67	-82.32
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CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CCC1(C(=O)[O-])CC2	REAL300006936971	0	48	-2.0	-92.08	367.77	3.96	-88.12
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CCC1(C(=O)[O-])CC2	REAL300006936971	1	48	-2.0	-92.10	367.82	3.97	-88.13
CC1(C)OC2(CNC(=O)C3=CC=C([O-])C(Cl)=C3)CCC1(C(=O)[O-])CC2	REAL300006937002	0	45	-2.0	-87.75	358.61	5.60	-82.15
CC1(C)OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC1(C(=O)[O-])CC2	REAL300006937151	0	48	-2.0	-85.21	378.27	3.77	-81.44
CC1(C)OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC1(C(=O)[O-])CC2	REAL300006937151	1	48	-2.0	-85.21	378.34	3.77	-81.44
CC1(C)OC2(CNC(=O)C3=C[N-]N=CC3=O)CCC1(C(=O)[O-])CC2	REAL300006937361	0	43	-2.0	-83.82	329.64	3.64	-80.18
COCC1=NC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(=O)[N-]1	REAL300006937389	1	50	-2.0	-93.02	383.63	2.25	-90.77
CC1(C)OC2(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCC1(C(=O)[O-])CC2	REAL300006937428	1	53	-2.0	-94.01	397.53	5.14	-88.87
O=C([O-])C1(CNC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC2CCC1CC2	REAL300006938535	0	45	-2.0	-113.88	348.49	8.12	-105.76
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300006938724	0	51	-2.0	-106.51	393.71	6.12	-100.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006938979	0	51	-2.0	-107.00	393.76	6.34	-100.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)O1	REAL300006939375	1	45	-2.0	-101.73	364.75	2.15	-99.58
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006939605	0	48	-2.0	-105.52	372.31	5.45	-100.07
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=CS1	REAL300006939924	1	52	-2.0	-103.28	406.52	6.54	-96.74
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006940129	0	48	-2.0	-100.57	378.73	5.50	-95.07
CC1=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006940218	1	54	-2.0	-118.81	396.67	6.93	-111.88
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O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006941313	1	41	-2.0	-92.37	315.64	4.45	-87.92
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C=N1	REAL300006941400	0	47	-2.0	-104.66	373.37	4.47	-100.19
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CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=N1	REAL300006941804	0	54	-2.0	-126.53	413.95	9.33	-117.20
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COC1=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)NC(=O)[N-]C1=O	REAL300006941957	1	44	-2.0	-95.86	340.29	2.02	-93.84
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942057	0	44	-2.0	-94.55	337.07	5.22	-89.33
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300006942057	1	44	-2.0	-94.57	337.13	5.23	-89.34
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CC2CCC1CC2	REAL300006942097	0	41	-2.0	-95.35	327.91	6.88	-88.47
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=CC(Cl)=C1[O-]	REAL300006942100	1	48	-2.0	-99.77	378.97	7.90	-91.87
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC4CCC3CC4)=N2)C=C1	REAL300006942109	0	52	-2.0	-123.90	402.16	6.90	-117.00
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)=CO1	REAL300006942133	1	45	-2.0	-92.84	363.89	2.12	-90.72
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CCC1CC2	REAL300006942301	0	44	-2.0	-91.00	347.66	5.03	-85.97
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COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CC3CCC2CC3)C(=O)[N-]1	REAL300006942629	1	46	-2.0	-114.68	353.01	3.53	-111.15
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC2CCC1CC2	REAL300006942679	1	49	-2.0	-116.70	366.94	6.43	-110.27
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CCC(CC(=O)[O-])CC3)CC2)O1	REAL300006945608	1	51	-2.0	-88.80	396.42	4.15	-84.65
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300006946990	1	47	-2.0	-93.97	351.66	8.03	-85.94
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300006947005	1	50	-2.0	-100.19	385.13	9.31	-90.88
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O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300006947306	1	52	-2.0	-107.91	386.49	10.45	-97.46
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300006947570	0	47	-2.0	-89.32	368.61	8.60	-80.72
COC1=C(C(=O)N2CCC3(CCC(CC(=O)[O-])CC3)CC2)NC(=O)[N-]C1=O	REAL300006947589	1	50	-2.0	-93.91	380.80	2.54	-91.37
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300006947678	0	50	-2.0	-96.54	371.67	7.26	-89.28
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300006947678	1	50	-2.0	-96.57	371.73	7.28	-89.29
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300006947710	0	47	-2.0	-90.15	361.41	8.51	-81.64
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CCC(CC(=O)[O-])CC3)CC2)=CO1	REAL300006947740	1	51	-2.0	-93.47	396.06	3.94	-89.53
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300006947864	0	50	-2.0	-86.58	379.70	7.46	-79.12
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300006947864	1	50	-2.0	-86.59	379.77	7.46	-79.13
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300006948084	0	45	-2.0	-87.77	339.44	6.52	-81.25
COCC1=NC=C(C(=O)N2CCC3(CCC(CC(=O)[O-])CC3)CC2)C(=O)[N-]1	REAL300006948113	1	52	-2.0	-96.19	393.43	5.09	-91.10
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300006948154	1	55	-2.0	-97.33	407.39	8.05	-89.28
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300006949572	0	49	-2.0	-96.63	396.75	3.92	-92.71
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006949820	0	49	-2.0	-97.57	396.83	4.15	-93.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)O1	REAL300006950204	1	43	-2.0	-93.76	368.08	-0.02	-93.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006950420	0	46	-2.0	-96.24	375.36	3.25	-92.99
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300006950732	1	50	-2.0	-95.77	409.54	4.36	-91.41
CC1=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006951016	1	52	-2.0	-96.91	399.45	4.75	-92.16
O=C([O-])C12CCC(CNC(=O)C3=CC=C([O-])C(F)=C3)(CC1)OC2	REAL300006952042	1	39	-2.0	-92.49	321.17	4.19	-88.30
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(CC1)OC2	REAL300006952055	1	42	-2.0	-95.55	351.50	6.73	-88.82
O=C(CCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006952097	0	39	-2.0	-88.34	318.62	2.26	-86.08
O=C(CCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006952097	1	39	-2.0	-88.36	318.68	2.28	-86.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)C=N1	REAL300006952180	0	45	-2.0	-95.88	376.41	2.28	-93.60
O=C([O-])C12CCC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(CC1)OC2	REAL300006952215	1	44	-2.0	-95.58	354.22	3.69	-91.89
O=C([O-])C12CCC(CNC(=O)C3=CN=CC([O-])=C3)(CC1)OC2	REAL300006952257	1	38	-2.0	-91.97	310.02	2.31	-89.66
O=C([O-])C12CCC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(CC1)OC2	REAL300006952370	0	46	-2.0	-105.24	382.42	5.52	-99.72
O=C([O-])C12CCC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(CC1)OC2	REAL300006952416	1	44	-2.0	-106.20	355.58	6.39	-99.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)=N1	REAL300006952575	0	52	-2.0	-108.47	410.04	7.21	-101.26
O=C([O-])C12CCC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(CC1)OC2	REAL300006952707	0	39	-2.0	-89.24	337.18	4.76	-84.48
COC1=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)NC(=O)[N-]C1=O	REAL300006952725	1	42	-2.0	-92.83	343.32	-0.16	-92.99
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006952824	0	42	-2.0	-93.02	340.12	3.04	-89.98
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300006952824	1	42	-2.0	-93.02	340.18	3.06	-89.96
O=C([O-])C12CCC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(CC1)OC2	REAL300006952862	0	39	-2.0	-88.99	330.97	4.68	-84.31
CCOC1=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)=CC(Cl)=C1[O-]	REAL300006952865	1	46	-2.0	-93.43	382.02	5.73	-87.70
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)=CO1	REAL300006952897	1	43	-2.0	-93.09	366.95	-0.07	-93.16
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(CC1)OC2	REAL300006953063	0	42	-2.0	-86.46	350.71	2.85	-83.61
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(CC1)OC2	REAL300006953063	1	42	-2.0	-86.43	350.78	2.85	-83.58
O=C([O-])C12CCC(CNC(=O)C3=C[N-]N=CC3=O)(CC1)OC2	REAL300006953351	0	37	-2.0	-85.70	302.23	2.74	-82.96
COCC1=NC=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)C(=O)[N-]1	REAL300006953386	1	44	-2.0	-94.67	356.06	1.34	-93.33
O=C([O-])C12CCC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(CC1)OC2	REAL300006953435	1	47	-2.0	-95.67	369.98	4.24	-91.43
O=C([O-])C12CCC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(CC1)OC2	REAL300006953755	0	39	-2.0	-92.52	345.57	6.77	-85.75
CC1=C(C(=O)NCC23CCC(C(=O)[O-])(CC2)CO3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006954056	0	47	-2.0	-100.12	379.68	3.83	-96.29
CC1=C(CCC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300006954796	0	54	-2.0	-113.81	418.45	7.89	-105.92
CC1=C(CCC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006954796	1	54	-2.0	-113.81	418.45	7.89	-105.92
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300006955149	0	44	-2.0	-119.46	361.63	5.15	-114.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006955461	0	44	-2.0	-120.10	361.32	5.42	-114.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300006955511	1	46	-2.0	-130.15	381.91	10.76	-119.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300006955963	1	47	-2.0	-119.83	377.54	4.75	-115.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300006955964	1	38	-2.0	-118.14	322.09	2.38	-115.76
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300006956195	0	48	-2.0	-127.05	392.18	3.40	-123.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006956241	0	41	-2.0	-118.35	339.86	4.52	-113.83
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(CC(=O)[O-])C2)=CS1	REAL300006956615	1	45	-2.0	-118.72	372.28	6.10	-112.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006956850	0	41	-2.0	-110.62	346.66	4.55	-106.07
CC1=C(CC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006956855	1	47	-2.0	-122.97	382.23	6.28	-116.69
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006956859	0	47	-2.0	-120.73	382.82	6.21	-114.52
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006956930	1	47	-2.0	-122.89	370.98	5.83	-117.06
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300006957680	0	47	-2.0	-120.71	386.31	6.75	-113.96
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006957875	1	37	-2.0	-122.46	317.42	6.89	-115.57
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300006957974	0	40	-2.0	-109.96	338.91	3.68	-106.28
O=C([O-])CC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006958005	1	39	-2.0	-119.99	323.13	5.06	-114.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)=C1	REAL300006958059	0	50	-2.0	-133.54	395.77	9.28	-124.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)C=C1	REAL300006958060	0	50	-2.0	-132.13	395.54	9.27	-122.86
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300006958136	0	44	-2.0	-130.03	367.98	7.80	-122.23
O=C([O-])CC1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006958141	0	41	-2.0	-131.69	341.92	7.43	-124.26
O=C([O-])CC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006958165	1	39	-2.0	-135.83	317.79	7.97	-127.86
O=C([O-])CC1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006958185	0	41	-2.0	-100.14	360.80	4.99	-95.15
O=C([O-])CC1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006958234	0	33	-2.0	-103.02	298.69	4.60	-98.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)=C1	REAL300006958297	0	44	-2.0	-138.12	360.26	8.01	-130.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300006958298	0	47	-2.0	-135.08	381.38	8.56	-126.52
CC1=C(CC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006958358	1	47	-2.0	-121.20	382.38	6.27	-114.93
O=C([O-])CC1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006958401	0	34	-2.0	-99.38	300.44	6.16	-93.22
COC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006958409	1	37	-2.0	-98.31	312.06	0.09	-98.22
CCOC1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006958516	1	41	-2.0	-102.89	345.30	7.14	-95.75
O=C([O-])CC1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006958520	0	44	-2.0	-136.46	370.22	8.23	-128.23
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)C=C1	REAL300006958528	0	45	-2.0	-131.96	364.83	6.64	-125.32
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=CO1	REAL300006958548	1	38	-2.0	-107.12	327.69	1.47	-105.65
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006958679	0	37	-2.0	-91.30	310.53	5.02	-86.28
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006958679	1	37	-2.0	-91.28	310.60	5.04	-86.24
COCC1=NC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]1	REAL300006958951	1	39	-2.0	-105.95	319.90	2.56	-103.39
O=C([O-])CC1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006958990	1	42	-2.0	-106.48	333.66	5.52	-100.96
O=C([O-])CC1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006959251	0	34	-2.0	-118.92	310.43	6.89	-112.03
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006959512	0	42	-2.0	-123.77	352.83	4.99	-118.78
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C([O-])C(F)=C3)S2)S1	REAL300006961847	1	31	-2.0	-92.44	316.54	5.89	-86.55
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)S2)S1	REAL300006961919	0	31	-2.0	-88.72	313.98	3.97	-84.75
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)S2)S1	REAL300006961919	1	31	-2.0	-88.75	314.04	3.98	-84.77
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)S2)S1	REAL300006962002	1	36	-2.0	-90.04	349.58	5.40	-84.64
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CN=CC([O-])=C3)S2)S1	REAL300006962023	1	30	-2.0	-92.33	305.38	4.02	-88.31
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)S2)S1	REAL300006962143	1	36	-2.0	-102.83	350.68	8.07	-94.76
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)S2)S1	REAL300006962398	0	31	-2.0	-89.59	332.54	6.45	-83.14
COC1=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)NC(=O)[N-]C1=O	REAL300006962417	1	34	-2.0	-93.10	338.69	1.53	-91.57
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)S2)S1	REAL300006962504	0	34	-2.0	-94.01	335.48	4.75	-89.26
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)S2)S1	REAL300006962504	1	34	-2.0	-94.01	335.54	4.77	-89.24
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C([O-])C(Cl)=C3)S2)S1	REAL300006962535	0	31	-2.0	-88.79	326.33	6.38	-82.41
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)S1	REAL300006962684	0	34	-2.0	-86.51	346.08	4.54	-81.97
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)S1	REAL300006962684	1	34	-2.0	-86.48	346.14	4.54	-81.94
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=C[N-]N=CC3=O)S2)S1	REAL300006962894	0	29	-2.0	-81.67	297.59	4.43	-77.24
COCC1=NC=C(C(=O)NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(=O)[N-]1	REAL300006962922	1	36	-2.0	-89.38	351.43	3.05	-86.33
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)S2)S1	REAL300006962961	1	39	-2.0	-89.99	365.34	5.95	-84.04
CC1=C(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006964305	1	54	-2.0	-113.91	417.24	7.83	-106.08
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=C1	REAL300006964658	0	44	-2.0	-118.25	362.73	5.20	-113.05
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006964970	0	44	-2.0	-120.64	361.76	5.39	-115.25
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C=C1	REAL300006965020	1	46	-2.0	-130.18	381.90	10.76	-119.42
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)O1	REAL300006965472	1	47	-2.0	-94.50	383.07	4.08	-90.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)O1	REAL300006965473	1	38	-2.0	-93.74	327.62	1.68	-92.06
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=C1	REAL300006965704	0	48	-2.0	-124.55	396.63	3.38	-121.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006965750	0	41	-2.0	-118.89	340.29	4.49	-114.40
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)=CS1	REAL300006966124	1	45	-2.0	-118.73	372.26	6.11	-112.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006966359	0	41	-2.0	-109.81	347.69	4.59	-105.22
CC1=C(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006966364	1	47	-2.0	-122.94	382.19	6.28	-116.66
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006966368	0	47	-2.0	-120.62	383.01	6.22	-114.40
CC1=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006966439	1	47	-2.0	-122.69	370.36	5.98	-116.71
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@H](CC(=O)[O-])C1	REAL300006967189	0	47	-2.0	-122.68	387.28	6.80	-115.88
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006967384	1	37	-2.0	-124.10	316.34	6.84	-117.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C=N1	REAL300006967483	0	40	-2.0	-102.62	339.47	3.60	-99.02
O=C([O-])C[C@H]1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006967514	1	39	-2.0	-120.75	322.88	5.02	-115.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300006967568	0	50	-2.0	-133.59	395.71	9.28	-124.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006967569	0	50	-2.0	-132.10	395.51	9.26	-122.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=N1	REAL300006967645	0	44	-2.0	-129.75	361.94	8.34	-121.41
O=C([O-])C[C@H]1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006967650	0	41	-2.0	-130.69	341.91	7.43	-123.26
O=C([O-])C[C@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006967674	1	39	-2.0	-135.87	317.75	7.95	-127.92
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006967694	0	41	-2.0	-100.10	360.80	4.99	-95.11
O=C([O-])C[C@H]1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006967743	0	33	-2.0	-94.48	299.23	4.70	-89.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300006967806	0	44	-2.0	-137.31	360.12	8.00	-129.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=N1	REAL300006967807	0	47	-2.0	-135.01	381.50	8.56	-126.45
CC1=C(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006967867	1	47	-2.0	-121.19	382.37	6.27	-114.92
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006967910	0	34	-2.0	-98.35	299.84	6.13	-92.22
COC1=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006967918	1	37	-2.0	-98.55	311.89	0.07	-98.48
CCOC1=CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006968025	1	41	-2.0	-102.97	344.59	7.10	-95.87
O=C([O-])C[C@H]1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006968029	0	44	-2.0	-135.60	354.21	8.24	-127.36
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006968037	0	45	-2.0	-131.91	364.80	6.65	-125.26
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)=CO1	REAL300006968057	1	38	-2.0	-96.33	326.55	1.39	-94.94
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006968188	0	37	-2.0	-91.30	310.97	4.99	-86.31
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006968188	1	37	-2.0	-91.27	311.04	4.99	-86.28
COCC1=NC=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]1	REAL300006968460	1	39	-2.0	-118.46	324.98	2.61	-115.85
O=C([O-])C[C@H]1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006968499	1	42	-2.0	-119.64	339.14	5.54	-114.10
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006968760	0	34	-2.0	-118.95	310.46	6.85	-112.10
CC1=C(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006969021	0	42	-2.0	-124.60	350.74	5.06	-119.54
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)=N1	REAL300006970926	1	40	-2.0	-103.52	351.98	6.17	-97.35
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300006970993	0	40	-2.0	-89.94	355.49	4.79	-85.15
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300006970993	1	40	-2.0	-89.92	355.55	4.80	-85.12
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)=N1	REAL300006971060	1	45	-2.0	-111.99	397.14	5.85	-106.14
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CN=CC([O-])=C3)C2)=N1	REAL300006971075	1	39	-2.0	-96.88	340.07	4.29	-92.59
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)=N1	REAL300006971169	1	45	-2.0	-122.78	388.59	9.26	-113.52
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)=N1	REAL300006971374	0	40	-2.0	-99.07	367.27	6.69	-92.38
COC1=C(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)NC(=O)[N-]C1=O	REAL300006971392	1	43	-2.0	-99.59	374.63	2.44	-97.15
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300006971461	0	43	-2.0	-95.38	376.99	5.57	-89.81
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300006971461	1	43	-2.0	-95.41	377.05	5.58	-89.83
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)=N1	REAL300006971486	0	40	-2.0	-99.74	361.77	6.65	-93.09
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300006971598	0	43	-2.0	-90.50	384.05	5.73	-84.77
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300006971598	1	43	-2.0	-90.47	384.11	5.73	-84.74
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=C[N-]N=CC3=O)C2)=N1	REAL300006971761	0	38	-2.0	-98.49	345.11	4.89	-93.60
COCC1=NC=C(C(=O)N2CCC(CC3=NC(C)=C(C(=O)[O-])S3)C2)C(=O)[N-]1	REAL300006971781	1	45	-2.0	-108.47	398.81	3.45	-105.02
CC1=C(CCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300006972750	0	54	-2.0	-110.25	417.29	7.86	-102.39
CC1=C(CCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006972750	1	54	-2.0	-110.25	417.29	7.86	-102.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=C1	REAL300006973103	0	44	-2.0	-119.57	359.01	5.18	-114.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](CC(=O)[O-])C1	REAL300006973415	0	44	-2.0	-119.45	362.79	5.45	-114.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C=C1	REAL300006973465	1	46	-2.0	-129.60	381.55	10.77	-118.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)O1	REAL300006973917	1	47	-2.0	-94.80	382.24	4.04	-90.76
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)O1	REAL300006973918	1	38	-2.0	-93.66	327.66	1.68	-91.98
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=C1	REAL300006974149	0	48	-2.0	-124.86	397.00	3.38	-121.48
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](CC(=O)[O-])C1	REAL300006974195	0	41	-2.0	-117.75	341.33	4.54	-113.21
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)=CS1	REAL300006974569	1	45	-2.0	-121.06	372.32	6.13	-114.93
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@@H](CC(=O)[O-])C1	REAL300006974804	0	41	-2.0	-110.66	344.05	4.58	-106.08
CC1=C(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006974809	1	47	-2.0	-128.14	382.26	6.29	-121.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](CC(=O)[O-])C1	REAL300006974813	0	47	-2.0	-121.36	383.29	6.20	-115.16
CC1=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006974884	1	47	-2.0	-121.84	372.54	5.93	-115.91
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@@H](CC(=O)[O-])C1	REAL300006975634	0	47	-2.0	-122.68	387.30	6.78	-115.90
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300006975829	1	37	-2.0	-122.45	317.43	6.89	-115.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C=N1	REAL300006975928	0	40	-2.0	-102.80	337.77	3.55	-99.25
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300006975959	1	39	-2.0	-106.69	317.68	4.96	-101.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)=N2)=C1	REAL300006976013	0	50	-2.0	-133.59	395.82	9.29	-124.30
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006976014	0	50	-2.0	-132.89	395.77	9.29	-123.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=N1	REAL300006976090	0	44	-2.0	-126.98	368.36	7.78	-119.20
O=C([O-])C[C@@H]1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300006976095	0	41	-2.0	-131.72	341.97	7.44	-124.28
O=C([O-])C[C@@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300006976119	1	39	-2.0	-135.83	317.78	7.97	-127.86
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300006976139	0	41	-2.0	-100.18	360.87	5.00	-95.18
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300006976188	0	33	-2.0	-94.48	299.25	4.71	-89.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)=N2)=C1	REAL300006976251	0	44	-2.0	-138.11	360.31	8.02	-130.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=N1	REAL300006976252	0	47	-2.0	-130.07	381.19	8.59	-121.48
CC1=C(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006976312	1	47	-2.0	-126.77	382.45	6.27	-120.50
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300006976355	0	34	-2.0	-99.58	298.59	6.10	-93.48
COC1=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006976363	1	37	-2.0	-98.47	312.05	0.08	-98.39
CCOC1=CC(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006976470	1	41	-2.0	-103.09	343.43	7.08	-96.01
O=C([O-])C[C@@H]1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300006976474	0	44	-2.0	-134.69	370.65	8.21	-126.48
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)=N2)C=C1	REAL300006976482	0	45	-2.0	-132.66	365.06	6.68	-125.98
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)=CO1	REAL300006976502	1	38	-2.0	-96.17	326.54	1.38	-94.79
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300006976633	0	37	-2.0	-91.33	310.53	5.03	-86.30
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300006976633	1	37	-2.0	-91.32	310.60	5.04	-86.28
COCC1=NC=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]1	REAL300006976905	1	39	-2.0	-105.90	319.76	2.55	-103.35
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300006976944	1	42	-2.0	-114.06	338.56	5.57	-108.49
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300006977205	0	34	-2.0	-118.20	309.93	7.39	-110.81
CC1=C(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006977466	0	42	-2.0	-123.86	352.85	4.99	-118.87
CC1=C(CCC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300006978078	1	52	-2.0	-98.75	422.53	6.99	-91.76
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=C1	REAL300006978438	0	42	-2.0	-98.74	363.57	4.77	-93.97
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006978751	0	42	-2.0	-101.22	362.47	5.06	-96.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=C1	REAL300006978800	1	44	-2.0	-116.64	387.17	9.98	-106.66
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)O1	REAL300006979250	1	45	-2.0	-108.29	387.10	3.40	-104.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)O1	REAL300006979251	1	36	-2.0	-92.60	334.65	0.81	-91.79
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=C1	REAL300006979484	0	46	-2.0	-105.63	398.53	2.98	-102.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006979529	0	39	-2.0	-98.29	342.21	4.11	-94.18
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=CS1	REAL300006979904	1	43	-2.0	-106.32	377.89	5.26	-101.06
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006980138	0	39	-2.0	-93.17	348.59	4.16	-89.01
CC1=C(CC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006980144	1	45	-2.0	-105.37	386.31	5.36	-100.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006980149	0	45	-2.0	-101.67	383.97	5.84	-95.83
CC1=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006980219	1	45	-2.0	-98.39	367.05	5.61	-92.78
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CC2(C[C@H]2C(=O)[O-])C1	REAL300006980948	0	45	-2.0	-102.99	388.09	6.37	-96.62
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300006981140	1	35	-2.0	-109.11	318.28	7.57	-101.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C=N1	REAL300006981238	0	38	-2.0	-96.05	343.25	3.14	-92.91
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300006981268	1	37	-2.0	-97.25	320.85	4.59	-92.66
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=N2)=C1	REAL300006981323	0	48	-2.0	-111.45	402.79	8.19	-103.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=N2)C=C1	REAL300006981324	0	48	-2.0	-110.22	402.76	8.19	-102.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=N1	REAL300006981398	0	42	-2.0	-107.04	370.35	7.29	-99.75
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300006981402	0	39	-2.0	-109.80	349.00	6.34	-103.46
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300006981426	1	37	-2.0	-116.74	320.99	7.25	-109.49
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C2	REAL300006981445	0	39	-2.0	-85.66	364.45	4.41	-81.25
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CN=C(I)C([O-])=C1)C2	REAL300006981494	0	31	-2.0	-95.30	303.65	4.16	-91.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=N2)=C1	REAL300006981556	0	42	-2.0	-114.02	367.34	6.92	-107.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=N1	REAL300006981557	0	45	-2.0	-112.31	383.84	8.00	-104.31
CC1=C(CC(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006981614	1	45	-2.0	-113.23	387.99	5.42	-107.81
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300006981654	0	32	-2.0	-89.79	304.00	5.58	-84.21
COC1=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300006981662	1	35	-2.0	-92.49	309.98	0.66	-91.83
CCOC1=CC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300006981766	1	39	-2.0	-94.01	348.84	6.56	-87.45
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=NN(C3=CC=CC=C3C(F)(F)F)C=C1[O-])C2	REAL300006981770	0	42	-2.0	-115.16	372.49	7.71	-107.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC4(C[C@H]4C(=O)[O-])C3)=N2)C=C1	REAL300006981778	0	43	-2.0	-118.36	372.03	5.57	-112.79
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)=CO1	REAL300006981799	1	36	-2.0	-94.06	333.76	0.78	-93.28
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300006981925	0	35	-2.0	-93.01	316.38	3.74	-89.27
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300006981925	1	35	-2.0	-93.00	316.45	3.75	-89.25
COCC1=NC=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]1	REAL300006982191	1	37	-2.0	-95.95	322.95	2.19	-93.76
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300006982228	1	40	-2.0	-96.81	336.70	5.15	-91.66
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300006982484	0	32	-2.0	-97.57	311.22	7.66	-89.91
CC1=C(C(=O)NC2CC3(C[C@H]3C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300006982741	0	40	-2.0	-100.44	346.52	4.69	-95.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)O1	REAL300006985552	1	42	-2.0	-96.58	371.45	3.18	-93.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2(C(=O)[O-])CCC2)=C1	REAL300006985744	0	45	-2.0	-98.66	380.67	6.50	-92.16
CC1=C(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300006986296	1	51	-2.0	-104.66	404.06	7.97	-96.69
COC1=CC=C(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C([O-])=C1	REAL300006986756	1	42	-2.0	-114.70	345.91	8.16	-106.54
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2)CCC1	REAL300006987297	1	38	-2.0	-97.26	324.86	7.41	-89.85
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C2)CCC1	REAL300006987310	1	41	-2.0	-105.78	355.19	9.85	-95.93
O=C([O-])C1(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)CCC1	REAL300006987364	0	38	-2.0	-90.23	322.27	5.48	-84.75
O=C([O-])C1(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)CCC1	REAL300006987364	1	38	-2.0	-90.21	322.32	5.50	-84.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C=N1	REAL300006987445	0	44	-2.0	-99.62	381.69	5.53	-94.09
O=C([O-])C1(C2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C2)CCC1	REAL300006987476	1	43	-2.0	-102.47	358.85	6.92	-95.55
O=C([O-])C1(C2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2)CCC1	REAL300006987516	1	37	-2.0	-97.91	315.31	5.54	-92.37
O=C([O-])C1(C2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C2)CCC1	REAL300006987631	0	45	-2.0	-116.91	387.11	8.72	-108.19
O=C([O-])C1(C2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C2)CCC1	REAL300006987677	0	43	-2.0	-146.76	358.97	9.48	-137.28
O=C([O-])C1(C2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2)CCC1	REAL300006987964	0	38	-2.0	-94.37	342.14	7.98	-86.39
O=C([O-])C1(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)CCC1	REAL300006988080	0	41	-2.0	-95.17	345.39	6.28	-88.89
O=C([O-])C1(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)CCC1	REAL300006988080	1	41	-2.0	-95.18	345.44	6.30	-88.88
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2)CCC1	REAL300006988116	0	38	-2.0	-94.25	334.66	7.90	-86.35
CCOC1=CC(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)=CC(Cl)=C1[O-]	REAL300006988120	1	45	-2.0	-95.05	387.47	8.98	-86.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)=CO1	REAL300006988153	1	42	-2.0	-98.89	372.24	3.18	-95.71
O=C([O-])C1(C2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C2)CCC1	REAL300006988243	0	46	-2.0	-101.69	383.70	11.87	-89.82
O=C([O-])C1(C2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C2)CCC1	REAL300006988243	1	46	-2.0	-101.85	383.76	11.87	-89.98
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2)CCC1	REAL300006988316	0	41	-2.0	-99.13	354.36	6.05	-93.08
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2)CCC1	REAL300006988316	1	41	-2.0	-99.13	354.43	6.06	-93.07
O=C([O-])C1(C2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C2)CCC1	REAL300006988598	0	36	-2.0	-104.10	305.93	5.97	-98.13
COCC1=NC=C(C(=O)NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C(=O)[N-]1	REAL300006988632	1	43	-2.0	-101.89	360.35	4.58	-97.31
O=C([O-])C1(C2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C2)CCC1	REAL300006988680	1	46	-2.0	-102.60	374.60	7.47	-95.13
O=C([O-])C1(C2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C2)CCC1	REAL300006988985	0	38	-2.0	-102.41	349.26	9.89	-92.52
CC1=C(CCC(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300006991177	1	54	-2.0	-129.71	409.90	8.80	-120.91
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300006991727	1	46	-2.0	-146.29	374.81	11.73	-134.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])O1	REAL300006992088	1	47	-2.0	-104.28	374.11	4.97	-99.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])O1	REAL300006992089	1	38	-2.0	-102.93	320.49	2.43	-100.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCC2CC(=O)[O-])=CS1	REAL300006992588	1	45	-2.0	-126.47	364.90	7.04	-119.43
CC1=C(CC(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300006992780	1	47	-2.0	-130.35	374.79	7.20	-123.15
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300006993554	1	37	-2.0	-130.10	305.98	8.27	-121.83
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=N1	REAL300006993630	0	40	-2.0	-113.82	329.62	4.53	-109.29
O=C([O-])CC1CCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300006993648	1	39	-2.0	-126.44	310.32	5.90	-120.54
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)=C1	REAL300006993696	0	50	-2.0	-151.55	388.25	10.28	-141.27
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)C=C1	REAL300006993697	0	50	-2.0	-150.46	388.17	10.30	-140.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC(=O)[O-])=N1	REAL300006993749	0	44	-2.0	-145.56	355.70	9.35	-136.21
O=C([O-])CC1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300006993754	0	41	-2.0	-148.40	334.39	8.43	-139.97
O=C([O-])CC1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300006993772	1	39	-2.0	-150.67	307.76	8.88	-141.79
O=C([O-])CC1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300006993790	0	41	-2.0	-106.91	351.53	5.92	-100.99
O=C([O-])CC1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300006993830	0	33	-2.0	-111.90	290.12	5.53	-106.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)=C1	REAL300006993878	0	44	-2.0	-154.13	352.95	8.96	-145.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC(=O)[O-])=N1	REAL300006993879	0	47	-2.0	-153.09	368.03	9.92	-143.17
CC1=C(CC(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300006993921	1	47	-2.0	-128.05	374.97	7.19	-120.86
O=C([O-])CC1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300006993956	0	34	-2.0	-107.86	290.43	7.07	-100.79
COC1=C(C(=O)N2CCCCC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300006993962	1	37	-2.0	-106.93	304.67	1.08	-105.85
CCOC1=CC(C(=O)N2CCCCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300006994040	1	41	-2.0	-112.05	335.89	8.06	-103.99
O=C([O-])CC1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300006994043	0	44	-2.0	-152.86	347.16	9.21	-143.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)C=C1	REAL300006994048	0	45	-2.0	-149.77	357.46	7.67	-142.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC(=O)[O-])=CO1	REAL300006994059	1	38	-2.0	-112.65	319.86	2.50	-110.15
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300006994165	0	37	-2.0	-98.98	303.24	5.98	-93.00
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300006994165	1	37	-2.0	-98.97	303.30	5.98	-92.99
COCC1=NC=C(C(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]1	REAL300006994376	1	39	-2.0	-124.65	311.66	3.56	-121.09
O=C([O-])CC1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300006994410	1	42	-2.0	-126.67	326.07	6.45	-120.22
O=C([O-])CC1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300006994605	0	34	-2.0	-135.41	298.61	8.29	-127.12
COCCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300006995361	1	54	-2.0	-106.74	438.19	5.29	-101.45
COCCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300006995913	1	46	-2.0	-126.00	402.66	8.20	-117.80
COCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300006996275	1	47	-2.0	-97.94	406.42	1.52	-96.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCCOC)C(=O)[O-])O1	REAL300006996276	1	38	-2.0	-96.79	351.65	-0.92	-97.71
COCCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300006996771	1	45	-2.0	-111.66	393.40	3.48	-108.18
COCCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300006996963	1	47	-2.0	-116.95	404.25	3.67	-113.28
COCCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300006997769	1	37	-2.0	-118.06	334.52	5.89	-112.17
COCCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300006997845	0	40	-2.0	-103.94	360.01	1.48	-102.46
COCCCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300006997863	1	39	-2.0	-110.42	337.31	2.86	-107.56
COCCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300006997912	0	50	-2.0	-133.03	419.02	6.49	-126.54
COCCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300006997913	0	50	-2.0	-131.38	419.78	6.44	-124.94
COCCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300006997968	0	44	-2.0	-127.78	386.49	5.59	-122.19
COCCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300006997973	0	41	-2.0	-128.64	366.00	4.60	-124.04
COCCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300006997993	1	39	-2.0	-133.61	338.33	5.51	-128.10
COCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300006998011	0	41	-2.0	-96.48	380.65	2.73	-93.75
COCCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300006998052	0	33	-2.0	-99.77	320.72	2.41	-97.36
COCCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300006998103	0	44	-2.0	-135.93	384.34	5.18	-130.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300006998104	0	47	-2.0	-134.66	400.02	6.30	-128.36
COCCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300006998147	1	47	-2.0	-114.17	402.69	3.66	-110.51
COCCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006998186	0	34	-2.0	-97.26	320.19	3.93	-93.33
COCCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300006998192	1	37	-2.0	-98.96	327.17	-1.06	-100.02
COCCCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300006998267	0	34	-2.0	-99.01	314.57	3.87	-95.14
CCOC1=CC(C(=O)NC(CCCOC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300006998271	1	41	-2.0	-102.22	365.03	4.90	-97.32
COCCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300006998278	0	45	-2.0	-131.09	388.83	3.90	-127.19
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCCOC)C(=O)[O-])=CO1	REAL300006998290	1	38	-2.0	-102.90	350.79	-0.94	-103.84
COCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300006998401	0	37	-2.0	-90.62	333.72	1.98	-88.64
COCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300006998401	1	37	-2.0	-90.56	333.80	2.00	-88.56
COCCCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300006998620	1	39	-2.0	-108.92	339.00	0.49	-108.43
COCCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300006998656	1	42	-2.0	-111.00	353.90	3.36	-107.64
COCCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300006998855	0	34	-2.0	-113.99	328.57	5.93	-108.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=C1	REAL300007000317	0	43	-2.0	-114.05	367.77	5.47	-108.58
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007000616	0	43	-2.0	-114.52	367.81	5.71	-108.81
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=C1	REAL300007000662	1	45	-2.0	-129.79	388.66	11.05	-118.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)O1	REAL300007001095	1	46	-2.0	-131.65	389.61	4.40	-127.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)O1	REAL300007001096	1	37	-2.0	-130.18	334.16	2.00	-128.18
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007001363	0	40	-2.0	-113.32	346.51	4.81	-108.51
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=CS1	REAL300007001714	1	44	-2.0	-125.65	379.05	6.38	-119.27
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007001949	0	40	-2.0	-112.03	351.64	4.81	-107.22
CC1=C(CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007001952	1	46	-2.0	-128.94	388.98	6.56	-122.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN2C=CC(C(=O)[O-])=C2C1	REAL300007001955	0	46	-2.0	-114.98	389.30	6.50	-108.48
CC1=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007002036	1	46	-2.0	-117.82	376.78	6.48	-111.34
O=C([O-])C1=C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CCN2C=C1	REAL300007003102	1	33	-2.0	-107.45	289.15	5.85	-101.60
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CCN2C=C1	REAL300007003113	1	36	-2.0	-120.46	321.42	7.03	-113.43
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C=N1	REAL300007003220	0	39	-2.0	-112.16	342.70	3.87	-108.29
O=C([O-])C1=C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CCN2C=C1	REAL300007003256	1	38	-2.0	-116.16	329.84	5.28	-110.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)=N2)=C1	REAL300007003316	0	49	-2.0	-129.20	399.54	9.51	-119.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)=N2)C=C1	REAL300007003317	0	49	-2.0	-125.86	400.14	9.52	-116.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=N1	REAL300007003412	0	43	-2.0	-119.77	369.04	8.71	-111.06
O=C([O-])C1=C2CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CCN2C=C1	REAL300007003417	0	40	-2.0	-118.10	346.29	7.69	-110.41
O=C([O-])C1=C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CCN2C=C1	REAL300007003458	1	38	-2.0	-121.59	321.91	8.90	-112.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)=N2)=C1	REAL300007003624	0	43	-2.0	-125.05	362.21	8.21	-116.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=N1	REAL300007003625	0	46	-2.0	-124.69	382.26	9.27	-115.42
CC1=C(CC(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007003703	1	46	-2.0	-127.41	389.18	6.57	-120.84
O=C([O-])C1=C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CCN2C=C1	REAL300007003765	0	33	-2.0	-101.90	303.60	6.32	-95.58
COC1=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)NC(=O)[N-]C1=O	REAL300007003781	1	36	-2.0	-101.03	318.62	0.36	-100.67
O=C([O-])C1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2C=C1	REAL300007003884	0	36	-2.0	-119.00	309.62	5.08	-113.92
O=C([O-])C1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2C=C1	REAL300007003884	1	36	-2.0	-119.00	309.68	5.10	-113.90
O=C([O-])C1=C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CCN2C=C1	REAL300007003920	0	33	-2.0	-104.16	298.95	6.33	-97.83
CCOC1=CC(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=CC(Cl)=C1[O-]	REAL300007003924	1	40	-2.0	-107.78	350.00	7.38	-100.40
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN4C=CC(C(=O)[O-])=C4C3)=N2)C=C1	REAL300007003934	0	44	-2.0	-125.68	369.35	6.90	-118.78
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)=CO1	REAL300007003958	1	37	-2.0	-100.48	333.76	1.72	-98.76
CC1=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C2=C([N-]C=NC2=O)O1	REAL300007004064	0	37	-2.0	-117.82	327.65	3.70	-114.12
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCN2C=C1	REAL300007004124	0	36	-2.0	-108.33	317.01	5.37	-102.96
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN2C=C1	REAL300007004124	1	36	-2.0	-108.31	317.08	5.38	-102.93
COCC1=NC=C(C(=O)N2CCN3C=CC(C(=O)[O-])=C3C2)C(=O)[N-]1	REAL300007004459	1	38	-2.0	-114.99	331.70	2.93	-112.06
O=C([O-])C1=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCN2C=C1	REAL300007004507	1	41	-2.0	-127.80	337.97	5.80	-122.00
O=C([O-])C1=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCN2C=C1	REAL300007004829	0	33	-2.0	-108.78	315.53	7.96	-100.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(CC(=O)[O-])C(F)F)C=C1	REAL300007007016	1	42	-2.0	-129.48	367.88	10.29	-119.19
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(CC(=O)[O-])C(F)F	REAL300007007379	1	43	-2.0	-99.52	368.23	3.78	-95.74
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)O1	REAL300007007380	1	34	-2.0	-95.90	314.07	1.12	-94.78
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(CC(=O)[O-])C(F)F)=CS1	REAL300007007876	1	41	-2.0	-116.68	356.90	5.87	-110.81
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(CC(=O)[O-])C(F)F	REAL300007008931	1	33	-2.0	-115.49	297.17	7.54	-107.95
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(CC(=O)[O-])C(F)F	REAL300007009015	0	36	-2.0	-101.73	319.08	3.55	-98.18
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N2)=C1	REAL300007009087	0	46	-2.0	-134.65	382.06	8.93	-125.72
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N2)C=C1	REAL300007009088	0	46	-2.0	-133.12	381.99	8.93	-124.19
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N1	REAL300007009146	0	40	-2.0	-125.83	348.65	8.09	-117.74
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(CC(=O)[O-])C(F)F	REAL300007009151	0	37	-2.0	-127.55	326.24	7.48	-120.07
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(CC(=O)[O-])C(F)F	REAL300007009174	1	35	-2.0	-135.73	299.97	8.19	-127.54
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N2)=C1	REAL300007009294	0	40	-2.0	-138.52	346.45	7.77	-130.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N1	REAL300007009295	0	43	-2.0	-136.93	361.07	8.48	-128.45
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(CC(=O)[O-])C(F)F	REAL300007009386	0	30	-2.0	-97.99	279.86	6.08	-91.91
COC1=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)NC(=O)[N-]C1=O	REAL300007009393	1	33	-2.0	-99.33	296.67	0.09	-99.24
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(CC(=O)[O-])C(F)F	REAL300007009481	0	30	-2.0	-100.95	277.10	5.65	-95.30
CCOC1=CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)=CC(Cl)=C1[O-]	REAL300007009484	1	37	-2.0	-102.09	327.10	6.56	-95.53
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(CC(=O)[O-])C(F)F)=N2)C=C1	REAL300007009492	0	41	-2.0	-129.00	350.47	6.32	-122.68
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(CC(=O)[O-])C(F)F)=CO1	REAL300007009506	1	34	-2.0	-97.15	309.14	1.19	-95.96
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC(=O)[O-])C(F)F	REAL300007009631	0	33	-2.0	-91.63	295.41	4.84	-86.79
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC(=O)[O-])C(F)F	REAL300007009631	1	33	-2.0	-91.63	295.48	4.85	-86.78
COCC1=NC=C(C(=O)N(C)C(CC(=O)[O-])C(F)F)C(=O)[N-]1	REAL300007009871	1	35	-2.0	-111.26	301.25	3.09	-108.17
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(CC(=O)[O-])C(F)F	REAL300007010132	0	30	-2.0	-114.17	289.19	7.46	-106.71
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007011209	1	42	-2.0	-111.06	374.01	5.99	-105.07
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007011464	1	42	-2.0	-112.27	374.08	6.22	-106.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007011860	1	36	-2.0	-92.73	345.04	2.02	-90.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007012090	0	39	-2.0	-110.87	352.61	5.32	-105.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CS1	REAL300007012409	1	43	-2.0	-115.84	386.84	6.42	-109.42
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007012614	0	39	-2.0	-103.72	359.02	5.38	-98.34
CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007012703	1	45	-2.0	-97.30	378.03	6.89	-90.41
COC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C([O-])=C1	REAL300007013189	1	36	-2.0	-121.58	319.46	6.99	-114.59
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300007013744	1	32	-2.0	-98.35	298.42	6.24	-92.11
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300007013757	1	35	-2.0	-112.62	328.76	8.68	-103.94
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300007013798	0	32	-2.0	-97.94	295.90	4.31	-93.63
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300007013798	1	32	-2.0	-97.92	295.96	4.32	-93.60
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007013885	0	38	-2.0	-100.44	353.66	4.35	-96.09
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300007013920	1	37	-2.0	-96.53	332.09	5.81	-90.72
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=CC([O-])=C2)S1	REAL300007013962	1	31	-2.0	-102.77	287.27	4.36	-98.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300007014076	0	39	-2.0	-119.77	359.40	7.52	-112.25
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300007014122	0	37	-2.0	-121.24	332.56	8.30	-112.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=N1	REAL300007014289	0	45	-2.0	-123.15	387.26	9.25	-113.90
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300007014424	0	32	-2.0	-96.77	314.43	6.80	-89.97
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300007014542	0	35	-2.0	-110.19	317.40	5.09	-105.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300007014542	1	35	-2.0	-110.16	317.46	5.10	-105.06
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300007014582	0	32	-2.0	-95.64	308.22	6.75	-88.89
CCOC1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300007014585	1	39	-2.0	-99.59	359.27	7.78	-91.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=N2)C=C1	REAL300007014594	0	43	-2.0	-120.81	382.47	6.76	-114.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CO1	REAL300007014618	1	36	-2.0	-106.07	344.21	1.99	-104.08
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)S1	REAL300007014711	0	40	-2.0	-105.58	356.68	10.69	-94.89
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)S1	REAL300007014711	1	40	-2.0	-105.62	356.63	10.68	-94.94
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300007014786	0	35	-2.0	-90.62	328.03	4.89	-85.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300007014786	1	35	-2.0	-90.65	327.96	4.89	-85.76
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C[N-]N=CC2=O)S1	REAL300007015079	0	30	-2.0	-89.36	279.49	4.79	-84.57
COCC1=NC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300007015114	1	37	-2.0	-96.32	333.96	3.47	-92.85
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300007015164	1	40	-2.0	-96.55	347.85	6.35	-90.20
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300007015484	0	32	-2.0	-108.20	322.82	8.72	-99.48
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017106	1	44	-2.0	-101.69	374.85	9.35	-92.34
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017146	0	44	-2.0	-97.00	379.21	8.05	-88.95
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017146	1	44	-2.0	-96.97	379.27	8.07	-88.90
O=C([O-])C[C@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017199	1	43	-2.0	-104.80	370.68	8.15	-96.65
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017414	0	47	-2.0	-107.41	393.77	8.20	-99.21
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017414	1	47	-2.0	-107.38	393.83	8.21	-99.17
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017428	0	44	-2.0	-98.52	384.65	9.84	-88.68
O=C([O-])C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007017605	0	42	-2.0	-104.77	362.92	8.57	-96.20
CC1=C(CCC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007018548	1	45	-2.0	-108.51	376.59	4.49	-104.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300007018894	1	35	-2.0	-111.98	318.76	2.30	-109.68
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300007019198	1	35	-2.0	-113.38	318.83	2.53	-110.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=NN2)C=C1	REAL300007019244	1	37	-2.0	-120.96	341.21	7.45	-113.51
O=C([O-])C1=NNC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)=C1	REAL300007019426	1	39	-2.0	-109.36	357.91	4.53	-104.83
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300007019427	1	39	-2.0	-111.52	358.09	4.52	-107.00
CC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007019440	0	35	-2.0	-89.68	339.34	2.71	-86.97
CC1=CC(C(=O)NC2=NNC(C(=O)[O-])=C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007019440	1	35	-2.0	-80.24	339.95	2.52	-77.72
O=C([O-])C1=NNC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)=C1	REAL300007019668	0	36	-2.0	-101.91	349.84	3.53	-98.38
O=C([O-])C1=CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)=NN1	REAL300007019668	1	36	-2.0	-92.90	350.45	3.34	-89.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)O1	REAL300007019687	1	38	-2.0	-93.01	345.25	0.72	-92.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)O1	REAL300007019688	1	29	-2.0	-92.53	289.80	-1.67	-94.20
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=NN2)=C1	REAL300007019925	0	39	-2.0	-119.51	353.46	0.53	-118.98
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300007019970	0	32	-2.0	-111.89	297.37	1.63	-110.26
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)=C1	REAL300007019978	0	36	-2.0	-110.01	350.03	3.53	-106.48
O=C([O-])C1=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)=NN1	REAL300007019978	1	36	-2.0	-99.26	350.63	3.33	-95.93
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=NN2)=CS1	REAL300007020321	1	36	-2.0	-117.54	331.59	2.74	-114.80
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300007020526	0	32	-2.0	-104.50	303.78	1.70	-102.80
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007020533	1	38	-2.0	-119.37	342.43	2.93	-116.44
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300007020538	1	38	-2.0	-113.89	340.33	3.32	-110.57
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007020596	1	38	-2.0	-96.30	322.19	3.13	-93.17
O=C([O-])C1=NNC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)=C1	REAL300007020696	1	39	-2.0	-102.95	358.09	4.50	-98.45
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC(C(=O)[O-])=NN1	REAL300007021221	0	38	-2.0	-117.62	343.25	3.89	-113.73
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300007021380	1	28	-2.0	-113.99	273.50	4.99	-109.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C=N1	REAL300007021465	0	31	-2.0	-100.45	298.41	0.66	-99.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)=C1	REAL300007021526	0	38	-2.0	-99.59	353.14	2.75	-96.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300007021541	0	41	-2.0	-121.80	358.01	5.70	-116.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300007021541	1	41	-2.0	-113.69	358.61	5.50	-108.19
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300007021542	0	41	-2.0	-120.99	357.94	5.70	-115.29
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)C=C1	REAL300007021542	1	41	-2.0	-112.53	358.55	5.50	-107.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2)=N1	REAL300007021609	0	35	-2.0	-118.21	320.07	4.77	-113.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2)=N1	REAL300007021609	1	35	-2.0	-109.74	326.08	4.61	-105.13
O=C([O-])C1=NNC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300007021613	0	32	-2.0	-120.01	304.16	3.85	-116.16
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=NN1	REAL300007021613	1	32	-2.0	-111.00	304.77	3.65	-107.35
O=C([O-])C1=NNC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300007021649	0	32	-2.0	-97.45	319.64	1.95	-95.50
O=C([O-])C1=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=NN1	REAL300007021649	1	32	-2.0	-86.36	320.24	1.76	-84.60
O=C([O-])C1=NNC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300007021685	0	24	-2.0	-98.95	258.87	1.68	-97.27
O=C([O-])C1=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=NN1	REAL300007021685	1	24	-2.0	-88.44	259.48	1.48	-86.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300007021734	0	35	-2.0	-125.71	322.50	4.43	-121.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300007021734	1	35	-2.0	-117.07	323.11	4.23	-112.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=NN2)=N1	REAL300007021735	0	38	-2.0	-123.37	332.02	5.57	-117.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2)=N1	REAL300007021735	1	38	-2.0	-114.81	332.63	5.37	-109.44
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007021774	1	38	-2.0	-117.91	341.70	2.88	-115.03
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300007021877	1	32	-2.0	-99.91	304.02	4.11	-95.80
O=C([O-])C1=NNC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300007021881	0	35	-2.0	-123.91	327.65	5.19	-118.72
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=NN1	REAL300007021881	1	35	-2.0	-116.87	328.26	5.02	-111.85
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300007021888	0	36	-2.0	-121.05	327.23	3.08	-117.97
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3)=N2)C=C1	REAL300007021888	1	36	-2.0	-112.58	327.83	2.88	-109.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=NN2)=CO1	REAL300007021905	1	29	-2.0	-106.59	288.95	-1.69	-108.28
O=C([O-])C1=NNC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300007021970	0	33	-2.0	-105.78	301.38	7.00	-98.78
O=C([O-])C1=NNC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300007021970	1	33	-2.0	-105.76	301.43	6.97	-98.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300007022022	0	28	-2.0	-90.38	272.71	1.20	-89.18
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300007022022	1	28	-2.0	-90.30	272.78	1.22	-89.08
O=C([O-])C1=NNC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300007022272	1	33	-2.0	-95.60	292.00	2.61	-92.99
O=C([O-])C1=NNC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300007022469	0	25	-2.0	-109.40	267.57	5.02	-104.38
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=NN1	REAL300007022469	1	25	-2.0	-99.29	268.18	4.83	-94.46
CC1=C(C(=O)NC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007022683	0	33	-2.0	-99.40	301.99	2.20	-97.20
CC1=C(CCC(=O)NC[C@H](O)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300007023051	1	48	-2.0	-99.60	393.81	2.35	-97.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300007023372	0	38	-2.0	-98.56	335.97	0.17	-98.39
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300007023624	1	42	-2.0	-95.32	381.76	2.42	-92.90
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](O)CC(=O)[O-]	REAL300007023665	0	38	-2.0	-99.53	336.04	0.39	-99.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300007023706	1	40	-2.0	-105.07	358.41	5.32	-99.75
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300007023755	1	42	-2.0	-92.35	381.53	2.44	-89.91
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300007023757	1	45	-2.0	-94.39	395.22	3.14	-91.25
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007023875	1	42	-2.0	-98.87	375.12	2.38	-96.49
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007023876	1	42	-2.0	-100.57	375.31	2.37	-98.20
CC1=CC(C(=O)NC[C@H](O)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007023889	0	38	-2.0	-83.81	356.55	0.55	-83.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC[C@H](O)CC(=O)[O-])C=C2)C=C1	REAL300007024017	1	45	-2.0	-95.11	396.71	3.05	-92.06
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007024101	0	39	-2.0	-97.38	367.06	1.38	-96.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300007024118	1	41	-2.0	-93.60	362.47	-1.41	-95.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300007024119	1	32	-2.0	-92.99	307.02	-3.82	-96.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC[C@H](O)CC(=O)[O-])=C2)C=C1	REAL300007024236	1	45	-2.0	-101.85	396.73	3.04	-98.81
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC[C@H](O)CC(=O)[O-])=C2)=C1	REAL300007024276	1	45	-2.0	-102.36	396.72	3.04	-99.32
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300007024347	0	42	-2.0	-104.96	370.95	-1.63	-106.59
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](O)CC(=O)[O-]	REAL300007024396	0	35	-2.0	-98.17	314.58	-0.51	-98.68
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007024403	0	39	-2.0	-98.92	367.24	1.37	-97.55
O=C([O-])C[C@@H](O)CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007024404	0	42	-2.0	-104.58	391.89	2.07	-102.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@H](O)CC(=O)[O-])=CS1	REAL300007024722	1	39	-2.0	-98.24	348.75	0.61	-97.63
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@H](O)CC(=O)[O-]	REAL300007024903	0	35	-2.0	-93.02	320.99	-0.44	-93.46
CC1=C(CC(=O)NC[C@H](O)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007024911	1	41	-2.0	-104.09	359.62	0.80	-103.29
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](O)CC(=O)[O-]	REAL300007024916	0	41	-2.0	-99.95	357.54	1.18	-98.77
CC1=C(C(=O)NC[C@H](O)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300007024969	1	41	-2.0	-99.19	338.66	0.99	-98.20
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300007025074	1	42	-2.0	-94.37	375.31	2.37	-92.00
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC[C@H](O)CC(=O)[O-]	REAL300007025514	0	41	-2.0	-102.79	360.46	1.75	-101.04
O=C([O-])C[C@@H](O)CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300007025598	0	28	-2.0	-85.62	294.96	1.70	-83.92
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007025651	1	31	-2.0	-98.29	290.71	2.98	-95.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300007025728	0	34	-2.0	-96.18	315.62	-1.48	-97.66
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300007025784	1	41	-2.0	-90.80	370.35	0.60	-90.20
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N2)=C1	REAL300007025799	0	44	-2.0	-112.43	375.22	3.57	-108.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N2)C=C1	REAL300007025800	0	44	-2.0	-110.87	375.15	3.57	-107.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N1	REAL300007025858	0	38	-2.0	-107.70	342.71	2.67	-105.03
O=C([O-])C[C@@H](O)CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007025861	0	35	-2.0	-108.38	321.37	1.72	-106.66
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007025889	0	35	-2.0	-85.13	336.85	-0.20	-85.33
O=C([O-])C[C@@H](O)CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300007025921	0	27	-2.0	-88.86	276.09	-0.46	-89.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N2)=C1	REAL300007025961	0	38	-2.0	-114.84	339.71	2.30	-112.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N1	REAL300007025962	0	41	-2.0	-113.17	356.21	3.37	-109.80
CC1=C(CC(=O)NC[C@H](O)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007025988	1	41	-2.0	-102.60	358.89	0.75	-101.85
CCOC1=CC(C(=O)NC[C@H](O)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300007026063	1	35	-2.0	-93.74	321.24	1.95	-91.79
O=C([O-])C[C@@H](O)CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007026067	0	38	-2.0	-116.29	344.86	3.07	-113.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H](O)CC(=O)[O-])=N2)C=C1	REAL300007026073	0	39	-2.0	-110.96	344.44	0.95	-110.01
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H](O)CC(=O)[O-])=CO1	REAL300007026088	1	32	-2.0	-93.27	306.15	-3.83	-97.10
O=C([O-])C[C@@H](O)CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007026567	0	28	-2.0	-95.17	284.79	3.00	-92.17
CC1=C(C(=O)NC[C@H](O)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007026748	0	36	-2.0	-102.30	318.90	0.07	-102.23
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C=C1	REAL300007027707	1	44	-2.0	-108.99	388.50	9.79	-99.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007028058	1	45	-2.0	-88.89	393.12	3.09	-85.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)O1	REAL300007028059	1	36	-2.0	-88.64	337.72	0.68	-87.96
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=CS1	REAL300007028534	1	43	-2.0	-104.95	379.34	5.09	-99.86
CC1=C(CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007028726	1	45	-2.0	-107.52	389.28	5.24	-102.28
COC1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C([O-])=C1	REAL300007029187	1	36	-2.0	-109.92	312.09	5.67	-104.25
O=C([O-])C1=NNC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1C1CC1	REAL300007029630	1	32	-2.0	-94.01	290.94	4.92	-89.09
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1C1CC1	REAL300007029639	1	35	-2.0	-101.41	321.39	7.35	-94.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C=N1	REAL300007029724	0	38	-2.0	-94.41	346.42	3.00	-91.41
O=C([O-])C1=NNC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1C1CC1	REAL300007029749	1	37	-2.0	-91.80	323.22	4.47	-87.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=N2)=C1	REAL300007029801	0	48	-2.0	-111.04	405.82	8.05	-102.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C3CC3)=N2)=C1	REAL300007029801	1	48	-2.0	-111.73	407.85	7.88	-103.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=N2)C=C1	REAL300007029802	0	48	-2.0	-110.14	405.76	8.05	-102.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C3CC3)=N2)C=C1	REAL300007029802	1	48	-2.0	-110.74	407.83	7.90	-102.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=N1	REAL300007029869	0	42	-2.0	-107.15	366.93	7.10	-100.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)=N1	REAL300007029869	1	42	-2.0	-107.70	369.94	6.97	-100.73
O=C([O-])C1=NNC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1C1CC1	REAL300007029874	0	39	-2.0	-108.96	351.97	6.20	-102.76
O=C([O-])C1=C(C2CC2)C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=NN1	REAL300007029874	1	39	-2.0	-109.29	354.00	6.03	-103.26
O=C([O-])C1=NNC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1C1CC1	REAL300007029904	0	37	-2.0	-110.61	325.24	6.99	-103.62
O=C([O-])C1=C(C2CC2)C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=NN1	REAL300007029904	1	37	-2.0	-111.98	327.21	6.87	-105.11
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=N2)=C1	REAL300007030041	0	42	-2.0	-114.54	370.27	6.78	-107.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C3CC3)=N2)=C1	REAL300007030041	1	42	-2.0	-115.27	372.33	6.61	-108.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=N1	REAL300007030042	0	45	-2.0	-112.30	379.16	7.90	-104.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2C2CC2)=N1	REAL300007030042	1	45	-2.0	-113.44	388.81	7.70	-105.74
CC1=C(CC(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007030101	1	45	-2.0	-106.28	389.46	5.23	-101.05
O=C([O-])C1=NNC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1C1CC1	REAL300007030156	0	32	-2.0	-89.79	307.18	5.47	-84.32
O=C([O-])C1=C(C2CC2)C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=NN1	REAL300007030156	1	32	-2.0	-85.69	309.07	5.32	-80.37
O=C(CCCC1=N[N-]N=N1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030244	0	35	-2.0	-101.60	309.91	3.76	-97.84
O=C(CCCC1=NN=N[N-]1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300007030244	1	35	-2.0	-101.57	309.97	3.78	-97.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1C1CC1	REAL300007030274	0	32	-2.0	-90.61	300.75	5.41	-85.20
CCOC1=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300007030278	1	39	-2.0	-93.10	352.02	6.44	-86.66
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C4CC4)C(C(=O)[O-])=NN3)=N2)C=C1	REAL300007030284	0	43	-2.0	-110.32	375.05	5.43	-104.89
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C3CC3)=N2)C=C1	REAL300007030284	1	43	-2.0	-110.85	377.12	5.27	-105.58
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)=CO1	REAL300007030299	1	36	-2.0	-97.74	336.82	0.66	-97.08
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C1CC1	REAL300007030438	0	35	-2.0	-86.01	320.53	3.56	-82.45
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C1CC1	REAL300007030438	1	35	-2.0	-85.98	320.59	3.58	-82.40
COCC1=NC=C(C(=O)NC2=C(C3CC3)C(C(=O)[O-])=NN2)C(=O)[N-]1	REAL300007030697	1	37	-2.0	-90.94	325.31	2.07	-88.87
O=C([O-])C1=NNC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1C1CC1	REAL300007030739	1	40	-2.0	-91.50	340.02	4.94	-86.56
O=C([O-])C1=NNC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1C1CC1	REAL300007030982	0	32	-2.0	-97.56	315.45	7.38	-90.18
O=C([O-])C1=C(C2CC2)C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=NN1	REAL300007030982	1	32	-2.0	-97.25	317.48	7.28	-89.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=C1	REAL300007032066	1	42	-2.0	-111.06	374.01	5.99	-105.07
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007032321	1	42	-2.0	-112.27	374.08	6.22	-106.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)O1	REAL300007032717	1	36	-2.0	-92.73	345.04	2.02	-90.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007032947	0	39	-2.0	-110.87	352.61	5.32	-105.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CS1	REAL300007033266	1	43	-2.0	-115.84	386.84	6.42	-109.42
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C2CC2)=C(C(=O)[O-])S1	REAL300007033471	0	39	-2.0	-103.72	359.02	5.38	-98.34
CC1=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007033560	1	45	-2.0	-97.30	378.03	6.89	-90.41
COC1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C([O-])=C1	REAL300007034046	1	36	-2.0	-121.58	319.46	6.99	-114.59
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300007034601	1	32	-2.0	-98.35	298.42	6.24	-92.11
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300007034614	1	35	-2.0	-112.62	328.76	8.68	-103.94
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300007034655	0	32	-2.0	-97.94	295.90	4.31	-93.63
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300007034655	1	32	-2.0	-97.92	295.96	4.32	-93.60
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C=N1	REAL300007034742	0	38	-2.0	-100.44	353.66	4.35	-96.09
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300007034777	1	37	-2.0	-96.53	332.09	5.81	-90.72
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=CC([O-])=C2)S1	REAL300007034819	1	31	-2.0	-102.77	287.27	4.36	-98.41
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300007034933	0	39	-2.0	-119.77	359.40	7.52	-112.25
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300007034979	0	37	-2.0	-121.24	332.56	8.30	-112.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=N1	REAL300007035146	0	45	-2.0	-123.15	387.26	9.25	-113.90
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300007035281	0	32	-2.0	-96.77	314.43	6.80	-89.97
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300007035399	0	35	-2.0	-110.19	317.40	5.09	-105.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300007035399	1	35	-2.0	-110.16	317.46	5.10	-105.06
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300007035439	0	32	-2.0	-95.64	308.22	6.75	-88.89
CCOC1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300007035442	1	39	-2.0	-99.59	359.27	7.78	-91.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C4CC4)=C(C(=O)[O-])S3)=N2)C=C1	REAL300007035451	0	43	-2.0	-120.81	382.47	6.76	-114.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)=CO1	REAL300007035475	1	36	-2.0	-106.07	344.21	1.99	-104.08
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)S1	REAL300007035568	0	40	-2.0	-105.58	356.68	10.69	-94.89
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)S1	REAL300007035568	1	40	-2.0	-105.62	356.63	10.68	-94.94
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300007035643	0	35	-2.0	-90.62	328.03	4.89	-85.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300007035643	1	35	-2.0	-90.65	327.96	4.89	-85.76
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=C[N-]N=CC2=O)S1	REAL300007035936	0	30	-2.0	-89.36	279.49	4.79	-84.57
COCC1=NC=C(C(=O)NC2=CC(C3CC3)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300007035971	1	37	-2.0	-96.32	333.96	3.47	-92.85
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300007036021	1	40	-2.0	-96.55	347.85	6.35	-90.20
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300007036341	0	32	-2.0	-108.20	322.82	8.72	-99.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)O1	REAL300007038335	1	39	-2.0	-90.69	351.33	3.12	-87.57
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C(=O)[O-])C=CC(F)=C2C1	REAL300007038525	0	42	-2.0	-99.44	361.34	6.08	-93.36
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300007040054	1	35	-2.0	-95.01	306.98	7.07	-87.94
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300007040067	1	38	-2.0	-99.27	337.46	9.36	-89.91
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300007040123	0	35	-2.0	-89.99	306.26	5.54	-84.45
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300007040123	1	35	-2.0	-90.01	306.32	5.55	-84.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C=N1	REAL300007040203	0	41	-2.0	-96.36	361.87	5.11	-91.25
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300007040273	1	34	-2.0	-89.78	295.70	5.20	-84.58
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300007040385	0	42	-2.0	-112.05	364.94	8.91	-103.14
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300007040431	1	40	-2.0	-115.37	338.29	10.02	-105.35
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300007040719	0	35	-2.0	-90.11	323.00	7.62	-82.49
COC1=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)NC(=O)[N-]C1=O	REAL300007040738	1	38	-2.0	-91.16	336.78	1.62	-89.54
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300007040834	0	38	-2.0	-98.56	327.78	6.32	-92.24
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300007040834	1	38	-2.0	-98.60	327.83	6.34	-92.26
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300007040869	0	35	-2.0	-91.56	315.78	7.54	-84.02
CCOC1=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=CC(Cl)=C1[O-]	REAL300007040873	1	42	-2.0	-95.19	367.83	8.59	-86.60
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)=CO1	REAL300007040906	1	39	-2.0	-90.39	351.85	2.92	-87.47
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300007041066	0	38	-2.0	-85.52	335.21	6.57	-78.95
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300007041066	1	38	-2.0	-85.46	335.27	6.59	-78.87
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300007041343	0	33	-2.0	-89.54	287.46	5.44	-84.10
COCC1=NC=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C(=O)[N-]1	REAL300007041376	1	40	-2.0	-98.25	341.63	4.00	-94.25
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300007041726	0	35	-2.0	-96.39	331.53	9.39	-87.00
CC1=C(C(=O)N2CCC3=C(C(=O)[O-])C=CC(F)=C3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007042025	1	43	-2.0	-112.67	376.23	6.46	-106.21
CC1=C(CCC(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)NC(N2CCOCC2)=N1	REAL300007042876	0	48	-2.0	-103.65	403.46	3.54	-100.11
CC1=C(CCC(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007042876	1	48	-2.0	-103.65	403.46	3.54	-100.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC(C(=O)[O-])=NN2)=C1	REAL300007043236	0	38	-2.0	-99.79	345.61	1.35	-98.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007043549	0	38	-2.0	-100.76	345.68	1.57	-99.19
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC(C(=O)[O-])=NN2)C=C1	REAL300007043598	1	40	-2.0	-109.15	368.04	6.50	-102.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)O1	REAL300007044048	1	41	-2.0	-97.51	370.28	-0.10	-97.61
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)O1	REAL300007044049	1	32	-2.0	-97.38	316.66	-2.64	-100.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC(C(=O)[O-])=NN2)=C1	REAL300007044282	0	42	-2.0	-104.98	380.59	-0.43	-105.41
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007044327	0	35	-2.0	-99.50	324.22	0.68	-98.82
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC(C(=O)[O-])=NN2)=CS1	REAL300007044702	1	39	-2.0	-99.96	358.41	1.78	-98.18
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007044936	0	35	-2.0	-94.98	330.63	0.75	-94.23
CC1=C(CC(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007044942	1	41	-2.0	-104.07	368.34	1.93	-102.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007044947	0	41	-2.0	-101.17	367.18	2.35	-98.82
CC1=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007045017	1	41	-2.0	-98.87	348.57	2.15	-96.72
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC(C(=O)[O-])=NN1	REAL300007045746	0	41	-2.0	-104.08	370.10	2.93	-101.15
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300007045938	1	31	-2.0	-98.59	300.36	4.16	-94.43
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)C=N1	REAL300007046036	0	34	-2.0	-99.75	325.27	-0.30	-100.05
O=C([O-])C1=NNC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300007046066	1	33	-2.0	-97.82	302.83	1.16	-96.66
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300007046121	0	44	-2.0	-111.79	384.86	4.74	-107.05
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300007046122	0	44	-2.0	-110.30	384.80	4.74	-105.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC(C(=O)[O-])=NN2)=N1	REAL300007046196	0	38	-2.0	-107.12	352.32	3.85	-103.27
O=C([O-])C1=NNC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300007046200	0	35	-2.0	-108.00	331.01	2.89	-105.11
O=C([O-])C1=NNC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300007046224	1	33	-2.0	-108.49	304.17	3.77	-104.72
O=C([O-])C1=NNC(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300007046243	0	35	-2.0	-88.40	346.49	0.99	-87.41
O=C([O-])C1=NNC(CNC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300007046292	0	27	-2.0	-92.02	285.73	0.73	-91.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=NN3)=N2)=C1	REAL300007046354	0	38	-2.0	-114.18	349.36	3.47	-110.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC(C(=O)[O-])=NN2)=N1	REAL300007046355	0	41	-2.0	-112.48	365.85	4.56	-107.92
CC1=C(CC(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007046412	1	41	-2.0	-102.69	368.53	1.93	-100.76
O=C([O-])C1=NNC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300007046452	0	28	-2.0	-93.40	286.04	2.16	-91.24
COC1=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)NC(=O)[N-]C1=O	REAL300007046460	1	31	-2.0	-97.19	292.00	-2.77	-99.96
CCOC1=CC(C(=O)NCC2=CC(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300007046564	1	35	-2.0	-97.46	330.88	3.13	-94.33
O=C([O-])C1=NNC(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300007046568	0	38	-2.0	-115.12	354.50	4.26	-110.86
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=NN3)=N2)C=C1	REAL300007046576	0	39	-2.0	-110.47	354.08	2.12	-108.35
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC(C(=O)[O-])=NN2)=CO1	REAL300007046597	1	32	-2.0	-97.51	315.80	-2.65	-100.16
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300007046723	0	31	-2.0	-90.76	299.57	0.25	-90.51
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300007046723	1	31	-2.0	-90.73	299.64	0.25	-90.48
COCC1=NC=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]1	REAL300007046989	1	33	-2.0	-96.53	304.93	-1.25	-97.78
O=C([O-])C1=NNC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300007047026	1	36	-2.0	-97.49	318.83	1.66	-95.83
O=C([O-])C1=NNC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300007047282	0	28	-2.0	-95.66	294.43	4.19	-91.47
CC1=C(C(=O)NCC2=CC(C(=O)[O-])=NN2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007047539	0	36	-2.0	-102.04	328.54	1.25	-100.79
CC1=C(NC(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007048127	1	48	-2.0	-100.13	394.38	5.27	-94.86
CC1=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300007048487	1	38	-2.0	-100.43	336.54	3.08	-97.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007048800	1	38	-2.0	-101.64	336.62	3.30	-98.34
CC1=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)NN=C1C(=O)[O-]	REAL300007048849	1	40	-2.0	-107.39	358.99	8.23	-99.16
CC1=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)NN=C1C(=O)[O-]	REAL300007049299	1	41	-2.0	-88.78	361.19	1.64	-87.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)O1	REAL300007049300	1	32	-2.0	-88.89	307.57	-0.90	-89.79
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=C1	REAL300007049533	0	42	-2.0	-107.64	370.95	1.31	-106.33
CC1=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300007049578	0	35	-2.0	-100.36	315.16	2.41	-97.95
CC1=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)NN=C1C(=O)[O-]	REAL300007049953	1	39	-2.0	-103.81	349.38	3.51	-100.30
CC1=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300007050187	0	35	-2.0	-94.16	321.57	2.47	-91.69
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007050193	1	41	-2.0	-106.44	359.30	3.66	-102.78
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)C(C(=O)[O-])=NN1	REAL300007050198	1	41	-2.0	-102.03	358.12	4.09	-97.94
CC1=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007050268	1	41	-2.0	-92.13	339.27	3.89	-88.24
CC1=C(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)NN=C1C(=O)[O-]	REAL300007050997	0	41	-2.0	-105.71	361.03	4.66	-101.05
CC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051189	1	31	-2.0	-100.04	291.29	5.78	-94.26
CC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)NN=C1C(=O)[O-]	REAL300007051287	0	34	-2.0	-94.30	316.20	1.43	-92.87
CC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007051317	1	33	-2.0	-91.05	294.04	2.84	-88.21
CC1=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051372	0	44	-2.0	-109.74	375.79	6.47	-103.27
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300007051372	1	44	-2.0	-110.54	378.19	6.32	-104.22
CC1=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051373	0	44	-2.0	-108.72	375.72	6.47	-102.25
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300007051373	1	44	-2.0	-109.51	378.12	6.33	-103.18
CC1=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051447	0	38	-2.0	-105.78	337.84	5.54	-100.24
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300007051447	1	38	-2.0	-106.69	345.68	5.43	-101.26
CC1=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051451	0	35	-2.0	-107.39	321.95	4.62	-102.77
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007051451	1	35	-2.0	-107.88	324.34	4.47	-103.41
CC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)NN=C1C(=O)[O-]	REAL300007051475	0	33	-2.0	-108.97	295.08	5.41	-103.56
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007051475	1	33	-2.0	-110.42	297.49	5.30	-105.12
CC1=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)NN=C1C(=O)[O-]	REAL300007051494	0	35	-2.0	-87.67	337.43	2.74	-84.93
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007051494	1	35	-2.0	-84.70	339.79	2.57	-82.13
CC1=C(NC(=O)C2=CN=C(I)C([O-])=C2)NN=C1C(=O)[O-]	REAL300007051543	0	27	-2.0	-89.44	276.67	2.44	-87.00
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300007051543	1	27	-2.0	-86.75	279.03	2.28	-84.47
CC1=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051605	0	38	-2.0	-112.99	340.28	5.20	-107.79
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300007051605	1	38	-2.0	-113.83	342.68	5.05	-108.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=N1	REAL300007051606	0	41	-2.0	-110.63	349.80	6.34	-104.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NNC(C(=O)[O-])=C2C)=N1	REAL300007051606	1	41	-2.0	-111.53	352.18	6.19	-105.34
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007051663	1	41	-2.0	-105.27	359.48	3.65	-101.62
CC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)NN=C1C(=O)[O-]	REAL300007051703	0	28	-2.0	-89.12	276.97	3.89	-85.23
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007051703	1	28	-2.0	-85.91	279.35	3.74	-82.17
CCOC1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=CC(Cl)=C1[O-]	REAL300007051815	1	35	-2.0	-92.71	321.81	4.87	-87.84
CC1=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])NN=C1C(=O)[O-]	REAL300007051819	0	38	-2.0	-112.64	345.44	5.98	-106.66
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007051819	1	38	-2.0	-113.66	347.82	5.84	-107.82
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C)C(C(=O)[O-])=NN3)=N2)C=C1	REAL300007051827	0	39	-2.0	-108.86	345.02	3.85	-105.01
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NNC(C(=O)[O-])=C3C)=N2)C=C1	REAL300007051827	1	39	-2.0	-109.57	347.40	3.70	-105.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)=CO1	REAL300007051848	1	32	-2.0	-96.97	306.72	-0.92	-97.89
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)NN=C1C(=O)[O-]	REAL300007051918	0	36	-2.0	-95.57	319.17	7.78	-87.79
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)NN=C1C(=O)[O-]	REAL300007051918	1	36	-2.0	-95.56	319.22	7.77	-87.79
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NN=C1C(=O)[O-]	REAL300007051974	0	31	-2.0	-85.54	290.50	1.98	-83.56
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NN=C1C(=O)[O-]	REAL300007051974	1	31	-2.0	-85.50	290.56	1.99	-83.51
COCC1=NC=C(C(=O)NC2=C(C)C(C(=O)[O-])=NN2)C(=O)[N-]1	REAL300007052240	1	33	-2.0	-90.49	295.88	0.50	-89.99
CC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007052277	1	36	-2.0	-90.99	309.79	3.39	-87.60
CC1=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])NN=C1C(=O)[O-]	REAL300007052533	0	28	-2.0	-96.26	285.37	5.81	-90.45
CC1=C(C(=O)[O-])NN=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007052533	1	28	-2.0	-96.11	287.73	5.70	-90.41
CC1=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)NN=C1C(=O)[O-]	REAL300007052790	0	36	-2.0	-95.45	319.50	2.96	-92.49
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300007054149	1	41	-2.0	-108.97	365.64	5.28	-103.69
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)=C1	REAL300007054438	1	41	-2.0	-110.21	365.71	5.50	-104.71
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)=C1	REAL300007054882	1	35	-2.0	-91.19	336.67	1.30	-89.89
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300007055137	0	38	-2.0	-108.74	344.25	4.61	-104.13
CCC1=C(C(=O)[O-])SC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300007055474	1	42	-2.0	-113.73	378.45	5.71	-108.02
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300007055698	0	38	-2.0	-101.67	350.65	4.67	-97.00
CCC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=C1	REAL300007055700	1	44	-2.0	-116.11	388.41	5.85	-110.26
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(CC)=C(C(=O)[O-])S1	REAL300007055703	1	44	-2.0	-110.62	387.21	6.28	-104.34
CCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=C1	REAL300007055784	1	44	-2.0	-95.43	368.91	6.15	-89.28
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(OC)C=C2[O-])=C1	REAL300007056283	1	35	-2.0	-116.55	311.09	6.28	-110.27
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300007056829	1	31	-2.0	-99.52	290.02	5.54	-93.98
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300007056841	1	34	-2.0	-110.69	320.39	7.97	-102.72
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300007056949	0	37	-2.0	-98.69	345.30	3.64	-95.05
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300007056985	1	36	-2.0	-95.14	323.46	5.15	-89.99
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=C1	REAL300007057042	0	47	-2.0	-119.88	404.89	8.66	-111.22
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=C1	REAL300007057043	0	47	-2.0	-118.93	404.78	8.66	-110.27
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=C1	REAL300007057137	0	41	-2.0	-116.27	372.37	7.77	-108.50
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300007057142	0	38	-2.0	-117.84	351.04	6.81	-111.03
CCC1=C(C(=O)[O-])SC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300007057183	0	36	-2.0	-119.34	324.16	7.59	-111.75
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=C1	REAL300007057346	0	41	-2.0	-123.71	369.37	7.39	-116.32
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])=C1	REAL300007057347	0	44	-2.0	-121.69	385.87	8.47	-113.22
CCC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=C1	REAL300007057424	1	44	-2.0	-114.78	388.59	5.85	-108.93
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300007057486	0	31	-2.0	-94.84	306.06	6.09	-88.75
CCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300007057602	0	34	-2.0	-107.89	309.00	4.38	-103.51
CCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300007057602	1	34	-2.0	-107.95	309.06	4.39	-103.56
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300007057639	0	31	-2.0	-95.97	299.82	6.02	-89.95
CCOC1=CC(C(=O)NC2=CC(CC)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300007057643	1	38	-2.0	-97.72	350.91	7.06	-90.66
CCC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])=C1	REAL300007057653	0	42	-2.0	-118.95	374.06	6.04	-112.91
CCC1=C(C(=O)[O-])SC(NC(=O)C2=COC(S(=O)(=O)[N-]C)=C2)=C1	REAL300007057677	1	35	-2.0	-104.04	335.78	1.28	-102.76
CCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300007057769	0	39	-2.0	-103.79	348.31	9.97	-93.82
CCC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300007057769	1	39	-2.0	-103.84	348.27	9.97	-93.87
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300007057840	0	34	-2.0	-88.79	319.66	4.18	-84.61
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300007057840	1	34	-2.0	-88.84	319.59	4.18	-84.66
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(COC)[N-]C2=O)=C1	REAL300007058173	1	36	-2.0	-94.52	325.58	2.75	-91.77
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300007058221	1	39	-2.0	-94.71	339.48	5.64	-89.07
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300007058540	0	31	-2.0	-106.23	314.46	8.00	-98.23
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=C1	REAL300007059708	0	44	-2.0	-109.87	385.01	5.85	-104.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=C1	REAL300007059708	1	44	-2.0	-109.87	385.01	5.85	-104.02
CCS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007059956	0	44	-2.0	-111.21	385.08	6.08	-105.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(C)C)=C(C(=O)[O-])S1	REAL300007059956	1	44	-2.0	-111.21	385.08	6.08	-105.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)O1	REAL300007060340	1	38	-2.0	-92.19	356.70	1.88	-90.31
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300007060556	0	41	-2.0	-109.68	363.62	5.18	-104.50
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=CS1	REAL300007060868	1	45	-2.0	-115.13	398.48	6.29	-108.84
CC1=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007061152	1	47	-2.0	-97.00	389.82	6.76	-90.24
COC1=CC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C([O-])=C1	REAL300007061634	1	38	-2.0	-117.52	330.47	6.85	-110.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300007062178	1	34	-2.0	-100.98	310.30	6.13	-94.85
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300007062191	1	37	-2.0	-112.10	340.40	8.55	-103.55
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300007062233	0	34	-2.0	-97.24	307.57	4.17	-93.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300007062233	1	34	-2.0	-97.25	307.62	4.19	-93.06
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300007062316	0	40	-2.0	-99.99	365.54	4.22	-95.77
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300007062351	1	39	-2.0	-95.55	343.12	5.66	-89.89
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300007062393	1	33	-2.0	-102.21	298.91	4.23	-97.98
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300007062506	0	41	-2.0	-119.23	371.07	7.39	-111.84
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300007062552	0	39	-2.0	-120.78	344.22	8.17	-112.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=N1	REAL300007062711	0	47	-2.0	-123.10	405.71	9.08	-114.02
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300007062843	0	34	-2.0	-95.62	326.30	6.67	-88.95
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300007062960	0	37	-2.0	-109.34	329.07	4.96	-104.38
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300007062960	1	37	-2.0	-109.36	329.12	4.97	-104.39
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300007062998	0	34	-2.0	-97.41	320.11	6.60	-90.81
CCOC1=CC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300007063001	1	41	-2.0	-99.14	371.15	7.66	-91.48
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)=CO1	REAL300007063033	1	38	-2.0	-105.47	356.07	1.87	-103.60
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300007063125	0	42	-2.0	-105.16	368.67	10.55	-94.61
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300007063125	1	42	-2.0	-105.24	368.63	10.55	-94.69
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300007063199	0	37	-2.0	-89.45	339.03	4.75	-84.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300007063199	1	37	-2.0	-89.41	338.97	4.74	-84.67
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300007063487	0	32	-2.0	-88.30	290.48	4.65	-83.65
COCC1=NC=C(C(=O)NC2=CC(C(C)C)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300007063522	1	39	-2.0	-95.75	345.64	3.34	-92.41
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300007063571	1	42	-2.0	-95.51	358.87	6.21	-89.30
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300007063891	0	34	-2.0	-107.62	334.46	8.58	-99.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300007065529	1	45	-2.0	-105.90	364.76	2.41	-103.49
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=CS1	REAL300007065964	1	52	-2.0	-101.63	406.50	6.80	-94.83
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300007067032	1	41	-2.0	-101.79	318.13	6.64	-95.15
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300007067043	1	44	-2.0	-112.55	347.81	9.09	-103.46
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C2	REAL300007067077	0	41	-2.0	-114.07	319.99	4.49	-109.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C2	REAL300007067077	1	41	-2.0	-114.01	320.05	4.51	-109.50
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C2	REAL300007067146	0	47	-2.0	-114.74	375.56	4.90	-109.84
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300007067171	1	46	-2.0	-121.25	350.60	6.08	-115.17
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CN=CC([O-])=C1)C2	REAL300007067206	1	40	-2.0	-101.02	307.48	5.17	-95.85
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300007067289	0	48	-2.0	-148.03	379.70	7.61	-140.42
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300007067320	1	46	-2.0	-128.08	352.27	8.81	-119.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300007067457	0	54	-2.0	-153.65	414.42	9.29	-144.36
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300007067567	0	41	-2.0	-109.29	336.33	7.35	-101.94
COC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)NC(=O)[N-]C1=O	REAL300007067579	1	44	-2.0	-115.94	342.64	2.00	-113.94
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL300007067657	0	44	-2.0	-118.32	338.01	5.39	-112.93
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL300007067657	1	44	-2.0	-118.31	338.06	5.40	-112.91
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300007067689	0	41	-2.0	-99.27	327.21	7.50	-91.77
CCOC1=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=CC(Cl)=C1[O-]	REAL300007067692	1	48	-2.0	-103.10	378.97	8.17	-94.93
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC4CCC3(C(=O)[O-])C4(C)C)=N2)C=C1	REAL300007067698	0	52	-2.0	-130.75	401.52	7.10	-123.65
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=CO1	REAL300007067714	1	45	-2.0	-96.08	364.42	2.79	-93.29
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300007067855	0	44	-2.0	-94.24	347.67	5.27	-88.97
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300007067855	1	44	-2.0	-94.25	347.73	5.28	-88.97
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=C[N-]N=CC1=O)C2	REAL300007068087	0	39	-2.0	-108.13	298.55	5.13	-103.00
COCC1=NC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(=O)[N-]1	REAL300007068110	1	46	-2.0	-119.51	352.43	3.72	-115.79
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300007068153	1	49	-2.0	-120.74	366.75	6.68	-114.06
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300007068394	0	41	-2.0	-106.61	342.52	9.21	-97.40
CCCC(C(=O)[O-])N(C)C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300007069888	1	53	-2.0	-100.47	416.70	8.03	-92.44
CCCC(C(=O)[O-])N(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300007070417	1	45	-2.0	-119.10	379.46	10.95	-108.15
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007070563	1	47	-2.0	-102.76	393.61	7.71	-95.05
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007070564	1	47	-2.0	-103.05	395.38	7.70	-95.35
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300007070575	0	43	-2.0	-89.41	377.66	5.87	-83.54
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007070758	0	44	-2.0	-100.32	385.54	6.54	-93.78
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300007070776	1	46	-2.0	-94.34	381.94	4.37	-89.97
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300007070777	1	37	-2.0	-91.69	327.32	1.84	-89.85
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007071002	0	44	-2.0	-101.19	387.32	6.71	-94.48
CCCC(C(=O)[O-])N(C)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300007071254	1	44	-2.0	-103.59	370.56	6.32	-97.27
CCCC(C(=O)[O-])N(C)C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300007071430	1	46	-2.0	-109.08	381.43	6.50	-102.58
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300007071560	1	47	-2.0	-94.37	393.72	7.70	-86.67
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007072094	1	36	-2.0	-104.76	313.21	6.98	-97.78
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007072162	0	39	-2.0	-99.56	333.25	3.60	-95.96
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300007072208	1	46	-2.0	-90.60	388.76	5.76	-84.84
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300007072222	0	49	-2.0	-124.58	395.63	9.54	-115.04
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300007072223	0	49	-2.0	-123.03	394.63	9.41	-113.62
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300007072269	0	43	-2.0	-120.06	363.17	8.60	-111.46
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007072273	0	40	-2.0	-120.20	341.78	7.69	-112.51
CCCC(C(=O)[O-])N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007072289	1	38	-2.0	-125.05	313.76	8.72	-116.33
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007072305	0	40	-2.0	-88.78	356.93	5.13	-83.65
CCCC(C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300007072337	0	32	-2.0	-89.40	296.66	4.76	-84.64
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300007072370	0	43	-2.0	-127.35	359.60	8.16	-119.19
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300007072371	0	46	-2.0	-126.19	374.05	9.04	-117.15
CCCC(C(=O)[O-])N(C)C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300007072399	1	46	-2.0	-107.56	380.74	6.29	-101.27
CCCC(C(=O)[O-])N(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007072426	0	33	-2.0	-91.13	294.03	6.22	-84.91
CCCC(C(=O)[O-])N(C)C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300007072486	1	40	-2.0	-96.46	341.34	7.28	-89.18
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007072489	0	43	-2.0	-130.53	370.05	8.40	-122.13
CCCC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300007072493	0	44	-2.0	-122.38	364.31	6.73	-115.65
CCCC(C(=O)[O-])N(C)C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300007072503	1	37	-2.0	-93.37	323.25	1.55	-91.82
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007072598	0	36	-2.0	-86.35	310.16	5.38	-80.97
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007072598	1	36	-2.0	-86.35	310.23	5.39	-80.96
CCCC(C(=O)[O-])N(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007072801	1	41	-2.0	-104.99	338.19	5.60	-99.39
CCCC(C(=O)[O-])N(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007072964	0	33	-2.0	-108.19	303.91	8.23	-99.96
O=C([O-])CC1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2(CCC2)CO1	REAL300007074052	0	43	-2.0	-103.02	345.20	7.48	-95.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)O1	REAL300007074728	1	43	-2.0	-99.88	360.30	1.63	-98.25
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CS1	REAL300007075147	1	50	-2.0	-97.44	405.39	6.14	-91.30
O=C([O-])CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C2(CCC2)CO1	REAL300007076195	1	39	-2.0	-97.10	316.00	5.45	-91.65
O=C([O-])CC1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2(CCC2)CO1	REAL300007076206	1	42	-2.0	-104.64	348.79	6.98	-97.66
O=C([O-])CC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300007076241	0	39	-2.0	-91.83	314.34	4.02	-87.81
O=C([O-])CC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300007076241	1	39	-2.0	-91.86	314.40	4.03	-87.83
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C=N1	REAL300007076307	0	45	-2.0	-100.28	371.96	3.59	-96.69
O=C([O-])CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2(CCC2)CO1	REAL300007076332	1	44	-2.0	-100.77	348.83	4.88	-95.89
O=C([O-])CC1CN(C(=O)C2=CN=CC([O-])=C2)C2(CCC2)CO1	REAL300007076367	1	38	-2.0	-98.07	305.10	3.62	-94.45
O=C([O-])CC1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2(CCC2)CO1	REAL300007076449	0	46	-2.0	-113.62	375.05	7.33	-106.29
O=C([O-])CC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2(CCC2)CO1	REAL300007076480	1	44	-2.0	-113.85	350.46	7.88	-105.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=N1	REAL300007076610	0	52	-2.0	-114.63	414.64	8.51	-106.12
O=C([O-])CC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2(CCC2)CO1	REAL300007076717	0	39	-2.0	-94.09	332.73	6.12	-87.97
COC1=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)NC(=O)[N-]C1=O	REAL300007076729	1	42	-2.0	-96.03	345.26	-0.03	-96.06
O=C([O-])CC1CN(C(=O)CCCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300007076806	0	42	-2.0	-94.71	335.93	4.79	-89.92
O=C([O-])CC1CN(C(=O)CCCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300007076806	1	42	-2.0	-94.74	335.99	4.81	-89.93
O=C([O-])CC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2(CCC2)CO1	REAL300007076838	0	39	-2.0	-93.69	325.76	5.93	-87.76
CCOC1=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CC(Cl)=C1[O-]	REAL300007076841	1	46	-2.0	-98.57	377.74	7.12	-91.45
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)=CO1	REAL300007076861	1	43	-2.0	-96.57	359.65	1.31	-95.26
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCC2)CO1	REAL300007077000	0	42	-2.0	-89.75	343.81	4.95	-84.80
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCC2)CO1	REAL300007077000	1	42	-2.0	-89.72	343.88	4.95	-84.77
O=C([O-])CC1CN(C(=O)C2=C[N-]N=CC2=O)C2(CCC2)CO1	REAL300007077227	0	37	-2.0	-90.66	297.78	3.91	-86.75
COCC1=NC=C(C(=O)N2CC(CC(=O)[O-])OCC23CCC3)C(=O)[N-]1	REAL300007077250	1	44	-2.0	-99.85	350.72	2.54	-97.31
O=C([O-])CC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2(CCC2)CO1	REAL300007077292	1	47	-2.0	-100.87	364.58	5.42	-95.45
O=C([O-])CC1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CCC2)CO1	REAL300007077533	0	39	-2.0	-100.87	343.10	6.93	-93.94
CCOCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300007079992	1	51	-2.0	-108.31	416.98	4.61	-103.70
CCOCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007080337	0	41	-2.0	-118.21	358.65	2.46	-115.75
CCOCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300007080642	0	41	-2.0	-119.11	359.08	2.71	-116.40
CCOCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300007080689	1	43	-2.0	-129.80	381.20	7.58	-122.22
CCOCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007080872	1	45	-2.0	-109.90	397.82	4.68	-105.22
CCOCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007080873	1	45	-2.0	-114.32	398.48	4.65	-109.67
CCOCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007080886	0	41	-2.0	-94.30	379.59	2.89	-91.41
CCOCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300007081116	0	42	-2.0	-110.61	390.23	3.67	-106.94
CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300007081135	1	44	-2.0	-101.12	384.96	0.90	-100.22
CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300007081136	1	35	-2.0	-99.66	329.69	-1.53	-101.19
CCOCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007081371	0	45	-2.0	-122.87	393.82	0.67	-122.20
CCOCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007081415	0	38	-2.0	-117.21	337.75	1.77	-115.44
CCOCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300007081423	0	42	-2.0	-112.53	390.41	3.67	-108.86
CCOCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300007081776	1	42	-2.0	-112.89	371.94	2.86	-110.03
CCOCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007081995	0	38	-2.0	-109.96	344.16	1.83	-108.13
CCOCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300007082002	1	44	-2.0	-117.54	382.79	3.06	-114.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(COCC)C(=O)[O-]	REAL300007082007	0	44	-2.0	-119.72	380.58	3.50	-116.22
CCOCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300007082070	1	44	-2.0	-114.97	361.91	3.25	-111.72
CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007082167	1	45	-2.0	-102.62	397.97	4.67	-97.95
CCOCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007082724	0	44	-2.0	-122.34	383.14	4.03	-118.31
CCOCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300007082900	1	34	-2.0	-119.72	313.41	5.25	-114.47
CCOCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300007082991	0	37	-2.0	-106.60	338.66	0.84	-105.76
CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300007083053	1	44	-2.0	-98.73	393.50	2.88	-95.85
CCOCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300007083068	0	47	-2.0	-135.35	398.26	5.88	-129.47
CCOCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300007083069	0	47	-2.0	-133.66	398.19	5.88	-127.78
CCOCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300007083137	0	41	-2.0	-129.85	365.86	4.93	-124.92
CCOCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300007083141	0	38	-2.0	-130.87	344.41	4.03	-126.84
CCOCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300007083163	1	36	-2.0	-135.59	317.70	4.85	-130.74
CCOCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300007083181	0	38	-2.0	-98.29	360.02	2.08	-96.21
CCOCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300007083223	0	30	-2.0	-101.63	299.26	1.81	-99.82
CCOCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300007083275	0	41	-2.0	-138.18	362.75	4.61	-133.57
CCOCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300007083276	0	44	-2.0	-136.86	379.26	5.68	-131.18
CCOCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300007083321	1	44	-2.0	-115.32	382.07	3.00	-112.32
CCOCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300007083356	0	31	-2.0	-99.14	299.56	3.26	-95.88
CCOCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300007083360	1	34	-2.0	-101.52	305.71	-1.68	-103.20
CCOCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300007083445	1	38	-2.0	-104.42	344.41	4.24	-100.18
CCOCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300007083449	0	41	-2.0	-139.45	367.90	5.40	-134.05
CCOCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300007083457	0	42	-2.0	-133.36	367.48	3.26	-130.10
CCOCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300007083475	1	35	-2.0	-104.66	328.84	-1.55	-106.21
CCOCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300007083595	0	34	-2.0	-93.47	312.61	1.35	-92.12
CCOCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300007083595	1	34	-2.0	-93.45	312.68	1.36	-92.09
CCOCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300007083871	1	39	-2.0	-113.93	332.44	2.73	-111.20
CCOCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300007084092	0	31	-2.0	-115.85	307.82	5.31	-110.54
CCOCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300007084327	0	39	-2.0	-117.79	342.14	2.32	-115.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)O1	REAL300007085875	1	41	-2.0	-100.00	354.63	1.58	-98.42
COC1=CC=C(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)C([O-])=C1	REAL300007086817	1	41	-2.0	-141.49	329.14	6.01	-135.48
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087243	1	37	-2.0	-108.02	313.47	5.51	-102.51
CN1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=CC(C(=O)[O-])=CC=C21	REAL300007087255	1	40	-2.0	-131.41	338.41	7.70	-123.71
CN1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087295	0	37	-2.0	-106.08	309.37	3.89	-102.19
CN1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087295	1	37	-2.0	-106.09	309.43	3.91	-102.18
CN1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087358	0	43	-2.0	-109.72	362.62	3.52	-106.20
CN1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC(C(=O)[O-])=CC=C21	REAL300007087380	1	42	-2.0	-115.16	343.48	4.87	-110.29
CN1CCN(C(=O)C2=CN=CC([O-])=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087412	1	36	-2.0	-116.06	296.66	3.45	-112.61
CN1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087525	0	42	-2.0	-144.51	341.82	8.31	-136.20
CN1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087755	0	37	-2.0	-107.23	323.84	5.97	-101.26
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087840	0	40	-2.0	-123.37	330.23	4.69	-118.68
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087840	1	40	-2.0	-123.37	330.29	4.70	-118.67
CN1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC(C(=O)[O-])=CC=C21	REAL300007087870	0	37	-2.0	-105.66	323.18	6.00	-99.66
CCOC1=CC(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1[O-]	REAL300007087874	1	44	-2.0	-110.45	368.70	6.94	-103.51
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)=CO1	REAL300007087894	1	41	-2.0	-116.55	352.79	1.31	-115.24
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300007088028	0	40	-2.0	-98.80	336.89	4.92	-93.88
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300007088028	1	40	-2.0	-98.76	336.96	4.94	-93.82
CN1CCN(C(=O)C2=C[N-]N=CC2=O)C2=CC(C(=O)[O-])=CC=C21	REAL300007088247	0	35	-2.0	-105.57	290.60	3.90	-101.67
COCC1=NC=C(C(=O)N2CCN(C)C3=CC=C(C(=O)[O-])C=C32)C(=O)[N-]1	REAL300007088268	1	42	-2.0	-110.01	345.26	2.34	-107.67
CN1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC(C(=O)[O-])=CC=C21	REAL300007088310	1	45	-2.0	-110.37	359.18	5.24	-105.13
CN1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC(C(=O)[O-])=CC=C21	REAL300007088529	0	37	-2.0	-123.97	339.49	6.53	-117.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC(=O)[O-])C2(C)C)C=C1	REAL300007090532	1	49	-2.0	-103.02	399.44	11.21	-91.81
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)O1	REAL300007090893	1	50	-2.0	-89.80	399.44	4.60	-85.20
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)O1	REAL300007090894	1	41	-2.0	-89.03	344.67	2.15	-86.88
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CC(=O)[O-])C2(C)C)=CS1	REAL300007091381	1	48	-2.0	-95.23	389.80	6.55	-88.68
CC1=C(CC(=O)N2CCC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007091579	1	50	-2.0	-101.98	399.68	6.70	-95.28
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007092459	1	40	-2.0	-96.36	329.25	8.06	-88.30
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007092544	0	43	-2.0	-92.47	352.79	3.96	-88.51
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007092565	1	42	-2.0	-98.55	340.63	5.46	-93.09
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=N2)=C1	REAL300007092617	0	53	-2.0	-109.53	412.84	9.67	-99.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300007092618	0	53	-2.0	-108.07	412.78	9.67	-98.40
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=N1	REAL300007092680	0	47	-2.0	-104.00	369.02	8.49	-95.51
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007092685	0	44	-2.0	-105.60	358.99	7.82	-97.78
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007092709	1	42	-2.0	-107.06	331.76	8.88	-98.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=N2)=C1	REAL300007092835	0	47	-2.0	-112.13	377.34	8.41	-103.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=N1	REAL300007092836	0	50	-2.0	-109.84	380.04	8.99	-100.85
CC1=C(CC(=O)N2CCC(CC(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007092886	1	50	-2.0	-100.77	399.86	6.69	-94.08
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007092930	0	37	-2.0	-85.87	313.56	6.46	-79.41
COC1=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)NC(=O)[N-]C1=O	REAL300007092937	1	40	-2.0	-88.48	319.93	1.95	-86.53
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007093030	0	37	-2.0	-86.36	306.39	6.37	-79.99
CCOC1=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=CC(Cl)=C1[O-]	REAL300007093033	1	44	-2.0	-90.34	358.40	7.43	-82.91
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3(C)C)=N2)C=C1	REAL300007093041	0	48	-2.0	-108.03	382.06	7.05	-100.98
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(=O)[O-])C2(C)C)=CO1	REAL300007093055	1	41	-2.0	-88.81	341.82	1.75	-87.06
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007093182	0	40	-2.0	-82.58	327.14	5.45	-77.13
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007093182	1	40	-2.0	-82.54	327.21	5.46	-77.08
COCC1=NC=C(C(=O)N2CCC(CC(=O)[O-])C2(C)C)C(=O)[N-]1	REAL300007093428	1	42	-2.0	-91.38	326.62	2.39	-88.99
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007093465	1	45	-2.0	-98.66	356.38	6.01	-92.65
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007093692	0	37	-2.0	-92.68	321.35	8.28	-84.40
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(F)(F)C(=O)[O-])=C1	REAL300007094808	0	34	-2.0	-95.34	317.68	2.30	-93.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007095111	0	34	-2.0	-96.24	317.75	2.52	-93.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007095156	1	36	-2.0	-100.71	339.56	7.43	-93.28
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C1	REAL300007095204	1	41	-2.0	-87.04	376.91	5.27	-81.77
O=C([O-])C(F)(F)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007095333	1	38	-2.0	-91.79	356.66	4.51	-87.28
O=C([O-])C(F)(F)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007095334	1	38	-2.0	-94.43	357.02	4.52	-89.91
CC1=CC(C(=O)NCC(F)(F)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007095347	0	34	-2.0	-76.99	338.09	2.69	-74.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=C2)C=C1	REAL300007095483	1	41	-2.0	-87.76	378.41	5.18	-82.58
O=C([O-])C(F)(F)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007095571	0	35	-2.0	-91.22	348.58	3.51	-87.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])O1	REAL300007095590	1	37	-2.0	-84.76	342.17	0.85	-83.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])O1	REAL300007095591	1	28	-2.0	-84.32	288.73	-1.68	-86.00
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C2)C=C1	REAL300007095714	1	41	-2.0	-96.96	378.26	5.17	-91.79
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)C(=O)[O-])=C2)=C1	REAL300007095751	1	41	-2.0	-97.45	378.25	5.18	-92.27
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(F)(F)C(=O)[O-])=C1	REAL300007095826	0	38	-2.0	-102.46	352.48	0.53	-101.93
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007095872	0	31	-2.0	-94.89	296.11	1.63	-93.26
O=C([O-])C(F)(F)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007095880	0	35	-2.0	-92.83	348.96	3.52	-89.31
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(F)(F)C(=O)[O-])=CS1	REAL300007096219	1	35	-2.0	-95.28	330.29	2.72	-92.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007096419	0	31	-2.0	-88.77	302.52	1.70	-87.07
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007096432	0	37	-2.0	-96.73	339.25	3.31	-93.42
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300007096588	1	38	-2.0	-86.97	356.82	4.51	-82.46
O=C([O-])C(F)(F)C[N-]C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300007096782	1	26	-2.0	-101.48	281.64	4.41	-97.07
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(F)(F)C(=O)[O-]	REAL300007097083	0	37	-2.0	-99.46	342.17	3.87	-95.59
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007097235	1	27	-2.0	-94.96	272.26	5.11	-89.85
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(F)(F)C(=O)[O-])C=N1	REAL300007097316	0	30	-2.0	-89.11	297.34	0.65	-88.46
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300007097376	1	37	-2.0	-83.43	352.04	2.73	-80.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N2)=C1	REAL300007097391	0	40	-2.0	-108.66	356.94	5.70	-102.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N2)C=C1	REAL300007097392	0	40	-2.0	-107.12	356.68	5.70	-101.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N1	REAL300007097456	0	34	-2.0	-103.93	324.23	4.80	-99.13
O=C([O-])C(F)(F)CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007097459	0	31	-2.0	-104.75	303.08	3.85	-100.90
O=C([O-])C(F)(F)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007097494	0	31	-2.0	-79.36	318.38	1.95	-77.41
O=C([O-])C(F)(F)CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300007097527	0	23	-2.0	-82.46	257.62	1.67	-80.79
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N2)=C1	REAL300007097571	0	34	-2.0	-111.24	321.24	4.43	-106.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N1	REAL300007097572	0	37	-2.0	-109.84	337.92	5.51	-104.33
CCOC1=CC(C(=O)NCC(F)(F)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007097706	1	31	-2.0	-86.67	302.95	4.08	-82.59
O=C([O-])C(F)(F)CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007097710	0	34	-2.0	-112.77	326.39	5.22	-107.55
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(F)(F)C(=O)[O-])=N2)C=C1	REAL300007097718	0	35	-2.0	-107.18	326.15	3.08	-104.10
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(F)(F)C(=O)[O-])=CO1	REAL300007097733	1	28	-2.0	-87.18	287.87	-1.70	-88.88
O=C([O-])C(F)(F)C[N-]C(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL300007097958	1	26	-2.0	-104.18	281.82	4.39	-99.79
O=C([O-])C(F)(F)CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007098271	0	24	-2.0	-91.76	266.32	5.14	-86.62
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]CC(F)(F)C(=O)[O-]	REAL300007098331	1	29	-2.0	-102.05	280.68	4.23	-97.82
CC1=C(C(=O)NCC(F)(F)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007098475	1	32	-2.0	-96.13	300.42	2.21	-93.92
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC(F)(F)C(=O)[O-]	REAL300007098582	0	29	-2.0	-104.21	280.68	4.23	-99.98
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]CC(F)(F)C(=O)[O-]	REAL300007098582	1	29	-2.0	-104.21	280.68	4.23	-99.98
CC1=C(CCC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300007098886	0	56	-2.0	-115.59	434.13	7.85	-107.74
CC1=C(CCC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300007098886	1	56	-2.0	-115.59	434.13	7.85	-107.74
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300007099437	1	48	-2.0	-128.75	396.06	10.74	-118.01
CC(C)(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300007099799	1	49	-2.0	-97.82	401.22	4.18	-93.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])O1	REAL300007099800	1	40	-2.0	-96.52	346.45	1.75	-94.77
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(C)(C)C)C(=O)[O-])=CS1	REAL300007100298	1	47	-2.0	-112.00	389.09	6.11	-105.89
CC1=C(CC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007100490	1	49	-2.0	-116.44	399.05	6.33	-110.11
CC(C)(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300007101279	1	39	-2.0	-119.15	330.77	8.53	-110.62
CC(C)(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300007101356	0	42	-2.0	-103.87	355.05	4.09	-99.78
CC(C)(C)CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300007101374	1	41	-2.0	-110.97	333.67	5.44	-105.53
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2)=C1	REAL300007101422	0	52	-2.0	-134.13	415.27	9.13	-125.00
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2)C=C1	REAL300007101423	0	52	-2.0	-132.63	415.20	9.13	-123.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300007101476	0	46	-2.0	-129.30	382.32	8.25	-121.05
CC(C)(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300007101481	0	43	-2.0	-129.91	361.67	7.21	-122.70
CC(C)(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300007101501	1	41	-2.0	-134.65	334.84	8.09	-126.56
CC(C)(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300007101519	0	43	-2.0	-96.91	376.90	5.38	-91.53
CC(C)(C)CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300007101559	0	35	-2.0	-100.29	316.41	5.04	-95.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2)=C1	REAL300007101609	0	46	-2.0	-137.17	380.01	7.79	-129.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300007101610	0	49	-2.0	-135.74	396.83	8.85	-126.89
CC1=C(CC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007101652	1	49	-2.0	-126.79	399.19	6.24	-120.55
CC(C)(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300007101689	0	36	-2.0	-97.27	316.69	6.50	-90.77
COC1=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300007101695	1	39	-2.0	-97.96	323.01	1.55	-96.41
CCOC1=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007101772	1	43	-2.0	-102.59	361.29	7.54	-95.05
CC(C)(C)CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300007101775	0	46	-2.0	-137.83	385.16	8.58	-129.25
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2)C=C1	REAL300007101780	0	47	-2.0	-132.26	384.73	6.44	-125.82
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(C)(C)C)C(=O)[O-])=CO1	REAL300007101791	1	40	-2.0	-102.66	346.21	1.73	-100.93
CC(C)(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300007101896	0	39	-2.0	-90.82	329.36	4.62	-86.20
CC(C)(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300007101896	1	39	-2.0	-90.83	329.43	4.62	-86.21
COCC1=NC=C(C(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)[N-]1	REAL300007102112	1	41	-2.0	-110.65	335.50	3.09	-107.56
CC(C)(C)CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300007102148	1	44	-2.0	-111.13	349.42	5.99	-105.14
CC(C)(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300007102343	0	36	-2.0	-115.01	324.82	8.56	-106.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)O1	REAL300007104779	1	44	-2.0	-88.77	380.40	4.20	-84.57
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C([O-])=C1	REAL300007105747	1	44	-2.0	-115.37	354.81	9.18	-106.19
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300007106190	1	40	-2.0	-95.89	339.91	7.99	-87.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007106202	1	43	-2.0	-106.47	364.11	10.86	-95.61
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300007106243	0	40	-2.0	-92.40	337.36	6.05	-86.35
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300007106243	1	40	-2.0	-92.39	337.41	6.06	-86.33
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007106306	0	46	-2.0	-95.45	389.01	6.55	-88.90
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007106328	1	45	-2.0	-93.21	373.33	7.45	-85.76
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300007106360	1	39	-2.0	-96.50	328.75	6.10	-90.40
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007106442	0	47	-2.0	-113.96	394.63	9.72	-104.24
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007106474	0	45	-2.0	-115.12	373.30	9.99	-105.13
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007106711	0	40	-2.0	-91.89	349.82	9.00	-82.89
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300007106800	0	43	-2.0	-103.62	358.99	6.83	-96.79
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300007106800	1	43	-2.0	-103.58	359.05	6.84	-96.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007106831	0	40	-2.0	-92.41	349.70	8.47	-83.94
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)=CC(Cl)=C1[O-]	REAL300007106835	1	47	-2.0	-94.49	400.77	9.52	-84.97
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)=CO1	REAL300007106856	1	44	-2.0	-99.63	385.68	3.72	-95.91
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007106992	0	43	-2.0	-86.36	363.62	6.99	-79.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007106992	1	43	-2.0	-86.33	363.61	6.99	-79.34
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300007107213	0	38	-2.0	-85.16	320.95	6.52	-78.64
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC(C)C)C(=O)[N-]1	REAL300007107236	1	45	-2.0	-92.42	369.34	5.67	-86.75
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007107278	1	48	-2.0	-92.68	382.67	8.58	-84.10
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007107507	0	40	-2.0	-101.46	364.32	10.45	-91.01
O=C([O-])C1CCN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C12CCOCC2	REAL300007112436	0	43	-2.0	-97.05	328.34	6.88	-90.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)O1	REAL300007113112	1	43	-2.0	-89.69	344.88	1.31	-88.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C23CCOCC3)=CS1	REAL300007113531	1	50	-2.0	-102.66	389.68	5.61	-97.05
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C12CCOCC2	REAL300007114579	1	39	-2.0	-93.09	296.70	5.05	-88.04
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C12CCOCC2	REAL300007114590	1	42	-2.0	-100.29	325.73	6.90	-93.39
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCOCC2	REAL300007114625	0	39	-2.0	-89.69	298.89	3.53	-86.16
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCOCC2	REAL300007114625	1	39	-2.0	-89.68	298.94	3.55	-86.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C=N1	REAL300007114691	0	45	-2.0	-94.55	350.64	3.04	-91.51
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C12CCOCC2	REAL300007114716	1	44	-2.0	-92.12	327.00	3.78	-88.34
O=C([O-])C1CCN(C(=O)C2=CN=CC([O-])=C2)C12CCOCC2	REAL300007114751	1	38	-2.0	-92.94	285.54	3.10	-89.84
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C12CCOCC2	REAL300007114833	0	46	-2.0	-107.10	358.88	6.97	-100.13
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C12CCOCC2	REAL300007114864	1	44	-2.0	-107.68	331.64	7.52	-100.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=N1	REAL300007114994	0	52	-2.0	-111.30	393.48	8.62	-102.68
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C12CCOCC2	REAL300007115101	0	39	-2.0	-88.70	313.15	5.63	-83.07
COC1=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)NC(=O)[N-]C1=O	REAL300007115113	1	42	-2.0	-90.31	320.43	0.67	-89.64
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCOCC2	REAL300007115190	0	42	-2.0	-97.99	320.39	4.32	-93.67
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCOCC2	REAL300007115190	1	42	-2.0	-97.98	320.44	4.33	-93.65
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C12CCOCC2	REAL300007115222	0	39	-2.0	-89.72	306.50	5.52	-84.20
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=CC(Cl)=C1[O-]	REAL300007115225	1	46	-2.0	-93.21	356.18	6.51	-86.70
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)=CO1	REAL300007115245	1	43	-2.0	-94.40	341.92	0.95	-93.45
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCOCC2	REAL300007115384	0	42	-2.0	-85.84	327.43	4.60	-81.24
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCOCC2	REAL300007115384	1	42	-2.0	-85.84	327.50	4.60	-81.24
O=C([O-])C1CCN(C(=O)C2=C[N-]N=CC2=O)C12CCOCC2	REAL300007115611	0	37	-2.0	-83.96	280.98	3.60	-80.36
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C23CCOCC3)C(=O)[N-]1	REAL300007115634	1	44	-2.0	-91.69	328.72	1.42	-90.27
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C12CCOCC2	REAL300007115676	1	47	-2.0	-92.26	342.75	4.33	-87.93
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCOCC2	REAL300007115917	0	39	-2.0	-96.27	319.81	6.94	-89.33
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007119362	1	54	-2.0	-97.48	415.70	7.70	-89.78
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])C2(C)C)C=C1	REAL300007119912	1	46	-2.0	-103.92	379.92	10.60	-93.32
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)O1	REAL300007120273	1	47	-2.0	-88.36	381.37	3.96	-84.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)O1	REAL300007120274	1	38	-2.0	-87.49	325.92	1.56	-85.93
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C2(C)C)=CS1	REAL300007120773	1	45	-2.0	-101.04	368.75	5.88	-95.16
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007120965	1	47	-2.0	-105.15	378.68	6.04	-99.11
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007121739	1	37	-2.0	-103.67	311.63	7.51	-96.16
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007121815	0	40	-2.0	-93.07	332.86	3.37	-89.70
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007121833	1	39	-2.0	-104.03	322.26	4.89	-99.14
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3(C)C)=N2)=C1	REAL300007121881	0	50	-2.0	-114.48	394.10	9.07	-105.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3(C)C)=N2)C=C1	REAL300007121882	0	50	-2.0	-113.27	394.04	9.07	-104.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2(C)C)=N1	REAL300007121934	0	44	-2.0	-109.69	360.96	8.20	-101.49
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007121939	0	41	-2.0	-111.40	340.25	7.22	-104.18
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007121957	1	39	-2.0	-113.04	313.12	8.30	-104.74
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007121975	0	41	-2.0	-87.13	354.94	4.71	-82.42
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300007122015	0	33	-2.0	-84.66	293.62	4.42	-80.24
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3(C)C)=N2)=C1	REAL300007122063	0	44	-2.0	-117.76	358.60	7.80	-109.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2(C)C)=N1	REAL300007122064	0	47	-2.0	-115.60	360.78	8.38	-107.22
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007122106	1	47	-2.0	-103.51	378.86	6.04	-97.47
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007122141	0	34	-2.0	-87.36	294.65	5.89	-81.47
COC1=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)NC(=O)[N-]C1=O	REAL300007122147	1	37	-2.0	-89.13	302.28	1.34	-87.79
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=CC(Cl)=C1[O-]	REAL300007122225	1	41	-2.0	-91.93	339.51	6.86	-85.07
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007122228	0	44	-2.0	-117.58	365.84	8.47	-109.11
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3(C)C)=N2)C=C1	REAL300007122233	0	45	-2.0	-113.25	363.33	6.45	-106.80
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C2(C)C)=CO1	REAL300007122244	1	38	-2.0	-88.86	322.81	1.14	-87.72
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007122350	0	37	-2.0	-83.36	308.45	4.86	-78.50
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007122350	1	37	-2.0	-83.36	308.52	4.86	-78.50
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C2(C)C)C(=O)[N-]1	REAL300007122561	1	39	-2.0	-102.41	308.05	2.07	-100.34
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007122595	1	42	-2.0	-104.18	338.01	5.44	-98.74
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007122790	0	34	-2.0	-99.65	305.60	7.43	-92.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300007126277	0	40	-2.0	-106.07	369.48	2.80	-103.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1=NC(C(=O)[O-])=CS1	REAL300007126562	0	40	-2.0	-107.14	369.53	3.01	-104.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)O1	REAL300007127001	1	34	-2.0	-93.51	340.51	-1.20	-94.71
CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NC(C(=O)[O-])=CS1	REAL300007127254	0	37	-2.0	-105.80	348.07	2.11	-103.69
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=CS1	REAL300007127591	1	41	-2.0	-109.47	382.25	3.22	-106.25
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NC(C(=O)[O-])=CS1	REAL300007127815	0	37	-2.0	-99.45	354.49	2.18	-97.27
CC1=C(CC(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007127817	1	43	-2.0	-115.76	392.19	3.37	-112.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1=NC(C(=O)[O-])=CS1	REAL300007127820	0	43	-2.0	-107.59	391.03	3.80	-103.79
CC1=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007127903	1	43	-2.0	-96.33	372.41	3.60	-92.73
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300007128944	1	30	-2.0	-96.76	293.90	3.07	-93.69
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300007128956	1	33	-2.0	-106.36	324.20	5.58	-100.78
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129069	0	36	-2.0	-98.86	349.11	1.16	-97.70
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=NC(C(=O)[O-])=CS1	REAL300007129103	1	35	-2.0	-95.75	326.86	2.56	-93.19
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=N1	REAL300007129254	0	40	-2.0	-112.95	376.20	5.30	-107.65
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300007129259	0	37	-2.0	-114.68	354.88	4.34	-110.34
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NC(C(=O)[O-])=CS1	REAL300007129300	1	35	-2.0	-115.43	328.02	5.21	-110.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C3=NC(C(=O)[O-])=CS3)=N2)=C1	REAL300007129464	0	40	-2.0	-120.39	373.22	4.92	-115.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=N1	REAL300007129465	0	43	-2.0	-117.92	382.58	6.08	-111.84
CC1=C(CC(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007129542	1	43	-2.0	-114.70	392.38	3.36	-111.34
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129604	0	30	-2.0	-94.13	309.89	3.61	-90.52
COC1=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)NC(=O)[N-]C1=O	REAL300007129621	1	33	-2.0	-96.77	316.03	-1.32	-98.09
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C(=O)[O-])=CS1	REAL300007129720	0	33	-2.0	-103.64	312.83	1.89	-101.75
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C(=O)[O-])=CS1	REAL300007129720	1	33	-2.0	-103.64	312.88	1.90	-101.74
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300007129758	0	30	-2.0	-93.68	303.69	3.55	-90.13
CCOC1=CC(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=CC(Cl)=C1[O-]	REAL300007129762	1	37	-2.0	-97.98	354.73	4.58	-93.40
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C3=NC(C(=O)[O-])=CS3)=N2)C=C1	REAL300007129772	0	41	-2.0	-115.90	377.95	3.58	-112.32
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)=CO1	REAL300007129796	1	34	-2.0	-101.66	339.67	-1.22	-102.88
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC(C(=O)[O-])=CS1	REAL300007129959	0	33	-2.0	-90.00	323.44	1.67	-88.33
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC(C(=O)[O-])=CS1	REAL300007129959	1	33	-2.0	-90.01	323.50	1.71	-88.30
COCC1=NC=C(C(=O)NC(C)C2=NC(C(=O)[O-])=CS2)C(=O)[N-]1	REAL300007130289	1	35	-2.0	-95.35	328.70	0.21	-95.14
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=NC(C(=O)[O-])=CS1	REAL300007130337	1	38	-2.0	-95.74	342.61	3.11	-92.63
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300007130656	0	30	-2.0	-102.21	318.28	5.62	-96.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300007132970	1	38	-2.0	-89.50	363.93	2.18	-87.32
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Cl)=C1	REAL300007134285	1	34	-2.0	-99.00	324.22	7.24	-91.76
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC(Cl)=C1	REAL300007134297	1	37	-2.0	-110.15	354.55	9.77	-100.38
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300007134336	0	34	-2.0	-94.79	314.74	4.47	-90.32
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300007134336	1	34	-2.0	-94.81	314.80	4.49	-90.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300007134392	0	40	-2.0	-98.88	372.54	4.52	-94.36
O=C([O-])C[C@@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Cl)=C1	REAL300007134439	1	33	-2.0	-100.51	313.07	5.35	-95.16
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(Cl)=C1	REAL300007134543	1	39	-2.0	-125.92	351.44	8.57	-117.35
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300007134773	0	34	-2.0	-95.50	340.23	7.80	-87.70
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)NC(=O)[N-]C1=O	REAL300007134786	1	37	-2.0	-102.98	337.65	2.65	-100.33
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300007134857	0	37	-2.0	-99.84	343.16	6.08	-93.76
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300007134857	1	37	-2.0	-99.85	343.21	6.09	-93.76
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300007134886	0	34	-2.0	-96.31	334.02	7.73	-88.58
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1[O-]	REAL300007134889	1	41	-2.0	-101.29	385.08	8.77	-92.52
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CO1	REAL300007134910	1	38	-2.0	-99.16	370.00	2.98	-96.18
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300007135035	0	37	-2.0	-87.69	346.84	5.06	-82.63
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300007135035	1	37	-2.0	-87.71	346.90	5.06	-82.65
O=C([O-])C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Cl)=C1	REAL300007135238	0	32	-2.0	-99.84	305.27	5.79	-94.05
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(=O)[N-]1	REAL300007135260	1	39	-2.0	-112.92	350.77	4.75	-108.17
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300007136846	1	38	-2.0	-90.50	363.86	2.18	-88.32
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300007138268	0	40	-2.0	-103.44	379.56	5.19	-98.25
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COC1=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)NC(=O)[N-]C1=O	REAL300007138662	1	37	-2.0	-103.56	336.78	2.53	-101.03
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O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300007138733	1	37	-2.0	-98.52	343.38	5.98	-92.54
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300007138762	0	34	-2.0	-96.00	334.11	7.59	-88.41
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1[O-]	REAL300007138765	1	41	-2.0	-99.88	385.17	8.62	-91.26
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CO1	REAL300007138786	1	38	-2.0	-97.39	363.13	2.18	-95.21
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COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(=O)[N-]1	REAL300007139136	1	39	-2.0	-99.33	352.15	3.62	-95.71
O=C([O-])C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(Cl)=C1	REAL300007139390	0	34	-2.0	-106.68	348.72	9.66	-97.02
CC1=C(CCC(=O)N2CCC=C(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007140565	1	49	-2.0	-104.58	392.81	7.17	-97.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300007140911	0	39	-2.0	-106.07	334.57	4.43	-101.64
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC=C(C(=O)[O-])C1	REAL300007141215	0	39	-2.0	-106.65	335.48	4.66	-101.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300007141261	1	41	-2.0	-103.36	356.30	10.03	-93.33
O=C([O-])C1=CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300007141443	1	43	-2.0	-113.24	372.40	6.77	-106.47
O=C([O-])C1=CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300007141444	1	43	-2.0	-114.44	372.63	6.78	-107.66
CC1=CC(C(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007141457	0	39	-2.0	-94.44	352.63	4.92	-89.52
O=C([O-])C1=CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300007141685	0	40	-2.0	-110.53	363.05	5.74	-104.79
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC=C(C(=O)[O-])C2)O1	REAL300007141704	1	42	-2.0	-114.58	357.23	3.35	-111.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC=C(C(=O)[O-])C2)O1	REAL300007141705	1	33	-2.0	-111.36	302.15	1.01	-110.35
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300007141942	0	43	-2.0	-111.18	366.34	2.65	-108.53
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC=C(C(=O)[O-])C1	REAL300007141987	0	36	-2.0	-105.18	314.01	3.76	-101.42
O=C([O-])C1=CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300007141995	0	40	-2.0	-106.45	364.56	5.79	-100.66
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC=C(C(=O)[O-])C2)=CS1	REAL300007142338	1	40	-2.0	-97.70	346.70	5.36	-92.34
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC=C(C(=O)[O-])C1	REAL300007142543	0	36	-2.0	-101.05	319.59	3.82	-97.23
CC1=C(CC(=O)N2CCC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007142550	1	42	-2.0	-109.12	356.59	5.54	-103.58
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC=C(C(=O)[O-])C1	REAL300007142555	0	42	-2.0	-107.22	357.02	5.45	-101.77
CC1=C(C(=O)N2CCC=C(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007142613	1	42	-2.0	-115.91	347.13	5.19	-110.72
O=C([O-])C1=CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300007142713	1	43	-2.0	-101.71	371.21	6.74	-94.97
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC=C(C(=O)[O-])C1	REAL300007143238	0	42	-2.0	-111.09	359.37	6.03	-105.06
O=C([O-])C1=CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007143397	1	32	-2.0	-103.12	290.12	6.37	-96.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC=C(C(=O)[O-])C2)C=N1	REAL300007143482	0	35	-2.0	-109.68	311.65	2.79	-106.89
O=C([O-])C1=CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300007143543	1	42	-2.0	-97.33	366.31	4.97	-92.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC=C(C(=O)[O-])C3)=N2)=C1	REAL300007143558	0	45	-2.0	-122.20	370.36	8.56	-113.64
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC=C(C(=O)[O-])C3)=N2)C=C1	REAL300007143559	0	45	-2.0	-117.74	369.89	8.58	-109.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC=C(C(=O)[O-])C2)=N1	REAL300007143626	0	39	-2.0	-113.34	338.83	7.68	-105.66
O=C([O-])C1=CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007143630	0	36	-2.0	-112.30	316.51	6.72	-105.58
O=C([O-])C1=CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300007143666	0	36	-2.0	-97.02	334.17	4.20	-92.82
O=C([O-])C1=CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300007143702	0	28	-2.0	-96.67	273.26	3.86	-92.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC=C(C(=O)[O-])C3)=N2)=C1	REAL300007143751	0	39	-2.0	-120.09	334.45	7.29	-112.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC=C(C(=O)[O-])C2)=N1	REAL300007143752	0	42	-2.0	-117.13	350.00	8.30	-108.83
CC1=C(CC(=O)N2CCC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007143791	1	42	-2.0	-107.74	356.77	5.53	-102.21
CCOC1=CC(C(=O)N2CCC=C(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300007143894	1	36	-2.0	-101.37	317.18	6.32	-95.05
O=C([O-])C1=CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300007143898	0	39	-2.0	-129.29	345.12	7.50	-121.79
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC=C(C(=O)[O-])C3)=N2)C=C1	REAL300007143905	0	40	-2.0	-117.99	339.58	5.94	-112.05
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC=C(C(=O)[O-])C2)=CO1	REAL300007143922	1	33	-2.0	-94.98	300.12	0.66	-94.32
O=C([O-])C1=CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007144039	0	32	-2.0	-94.92	284.63	4.29	-90.63
O=C([O-])C1=CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007144039	1	32	-2.0	-94.90	284.70	4.32	-90.58
O=C([O-])C1=CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007144289	1	37	-2.0	-112.10	313.37	4.87	-107.23
O=C([O-])C1=CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007144486	0	29	-2.0	-100.86	283.37	6.85	-94.01
CC1=C(C(=O)N2CCC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007144700	0	37	-2.0	-118.15	326.58	4.21	-113.94
CC1=C(CCC(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007145500	1	54	-2.0	-105.33	426.10	6.67	-98.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2(C(=O)[O-])CCC2)=C1	REAL300007145853	0	44	-2.0	-113.09	366.03	4.42	-108.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1(C(=O)[O-])CCC1	REAL300007146165	0	44	-2.0	-114.29	366.11	4.64	-109.65
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2(C(=O)[O-])CCC2)C=C1	REAL300007146215	1	46	-2.0	-113.59	391.13	9.63	-103.96
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2(C(=O)[O-])CCC2)O1	REAL300007146667	1	47	-2.0	-95.21	395.60	2.89	-92.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2(C(=O)[O-])CCC2)O1	REAL300007146668	1	38	-2.0	-94.32	340.15	0.50	-93.82
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2(C(=O)[O-])CCC2)=C1	REAL300007146899	0	48	-2.0	-118.94	403.68	2.70	-116.24
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1(C(=O)[O-])CCC1	REAL300007146945	0	41	-2.0	-112.62	344.64	3.74	-108.88
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2(C(=O)[O-])CCC2)=CS1	REAL300007147319	1	45	-2.0	-114.93	378.85	4.84	-110.09
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1(C(=O)[O-])CCC1	REAL300007147554	0	41	-2.0	-104.44	353.28	3.87	-100.57
CC1=C(CC(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007147559	1	47	-2.0	-121.94	390.99	5.06	-116.88
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1(C(=O)[O-])CCC1	REAL300007147563	0	47	-2.0	-114.80	387.61	5.43	-109.37
CC1=C(C(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007147634	1	47	-2.0	-103.64	370.57	5.27	-98.37
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCC1(C(=O)[O-])CCC1	REAL300007148384	0	47	-2.0	-116.59	392.75	6.06	-110.53
O=C([O-])C1(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1	REAL300007148579	1	37	-2.0	-113.70	323.00	7.28	-106.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2(C(=O)[O-])CCC2)C=N1	REAL300007148678	0	40	-2.0	-101.01	345.70	2.77	-98.24
O=C([O-])C1(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC1	REAL300007148709	1	39	-2.0	-102.19	323.51	4.17	-98.02
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3(C(=O)[O-])CCC3)=N2)=C1	REAL300007148763	0	50	-2.0	-126.88	405.29	7.81	-119.07
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300007148764	0	50	-2.0	-125.83	405.22	7.81	-118.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2(C(=O)[O-])CCC2)=N1	REAL300007148840	0	44	-2.0	-124.44	375.83	6.98	-117.46
O=C([O-])C1(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1	REAL300007148845	0	41	-2.0	-123.87	351.44	5.96	-117.91
O=C([O-])C1(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1	REAL300007148869	1	39	-2.0	-127.57	324.60	6.84	-120.73
O=C([O-])C1(CCNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCC1	REAL300007148889	0	41	-2.0	-95.33	369.14	4.12	-91.21
O=C([O-])C1(CCNC(=O)C2=CN=C(I)C([O-])=C2)CCC1	REAL300007148938	0	33	-2.0	-98.02	308.38	3.85	-94.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3(C(=O)[O-])CCC3)=N2)=C1	REAL300007149001	0	44	-2.0	-131.97	372.84	6.60	-125.37
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2(C(=O)[O-])CCC2)=N1	REAL300007149002	0	47	-2.0	-129.78	382.35	7.74	-122.04
CC1=C(CC(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007149062	1	47	-2.0	-120.90	388.96	4.99	-115.91
O=C([O-])C1(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1	REAL300007149105	0	34	-2.0	-96.11	306.46	5.24	-90.87
COC1=C(C(=O)NCCC2(C(=O)[O-])CCC2)NC(=O)[N-]C1=O	REAL300007149113	1	37	-2.0	-97.28	314.54	0.34	-96.94
CCOC1=CC(C(=O)NCCC2(C(=O)[O-])CCC2)=CC(Cl)=C1[O-]	REAL300007149220	1	41	-2.0	-99.92	351.31	6.20	-93.72
O=C([O-])C1(CCNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC1	REAL300007149224	0	44	-2.0	-131.08	377.99	7.38	-123.70
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300007149232	0	45	-2.0	-125.68	374.51	5.19	-120.49
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2(C(=O)[O-])CCC2)=CO1	REAL300007149252	1	38	-2.0	-102.88	338.45	0.48	-102.40
O=C([O-])C1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300007149383	0	37	-2.0	-89.25	320.00	3.32	-85.93
O=C([O-])C1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300007149383	1	37	-2.0	-89.28	320.07	3.33	-85.95
COCC1=NC=C(C(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]1	REAL300007149655	1	39	-2.0	-101.68	325.35	1.82	-99.86
O=C([O-])C1(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC1	REAL300007149694	1	42	-2.0	-102.40	339.26	4.72	-97.68
O=C([O-])C1(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300007149955	0	34	-2.0	-113.15	317.92	7.31	-105.84
CC1=C(C(=O)NCCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007150216	0	42	-2.0	-106.70	350.81	4.36	-102.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300007151081	0	44	-2.0	-96.93	380.23	5.48	-91.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007151379	0	44	-2.0	-98.01	380.31	5.69	-92.32
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007151424	1	46	-2.0	-103.25	402.04	10.62	-92.63
CC1=CC(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=CC=C1C(=O)[O-]	REAL300007151854	1	47	-2.0	-93.57	404.90	4.03	-89.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300007151855	1	38	-2.0	-93.45	351.28	1.49	-91.96
CC1=CC(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300007152124	0	41	-2.0	-96.69	358.84	4.80	-91.89
CC1=CC(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300007152474	1	45	-2.0	-97.49	393.04	5.91	-91.58
CC1=CC(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300007152710	0	41	-2.0	-92.03	365.25	4.87	-87.16
CC1=CC(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300007152713	1	47	-2.0	-102.85	402.96	6.06	-96.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C(C)=C1	REAL300007152716	0	47	-2.0	-98.41	401.80	6.48	-91.93
CC1=CC(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300007152797	1	47	-2.0	-94.80	383.17	6.30	-88.50
CC1=CC(CNC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300007153857	1	34	-2.0	-93.36	304.65	5.73	-87.63
CC1=CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300007153868	1	37	-2.0	-95.93	334.99	8.28	-87.65
CC1=CC(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300007153975	0	40	-2.0	-96.11	359.88	3.82	-92.29
CC1=CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300007154011	1	39	-2.0	-93.29	337.48	5.23	-88.06
CC1=CC(CNC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300007154069	0	50	-2.0	-108.57	419.49	8.87	-99.70
CC1=CC(CNC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300007154070	0	50	-2.0	-107.27	419.41	8.87	-98.40
CC1=CC(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=CC=C1C(=O)[O-]	REAL300007154165	0	44	-2.0	-104.42	386.90	7.98	-96.44
CC1=CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300007154170	0	41	-2.0	-105.00	365.63	7.02	-97.98
CC1=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1C(=O)[O-]	REAL300007154208	1	39	-2.0	-105.60	338.79	7.90	-97.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)=N2)=C1	REAL300007154374	0	44	-2.0	-111.16	383.98	7.60	-103.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300007154375	0	47	-2.0	-109.28	400.44	8.70	-100.58
CC1=CC(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300007154452	1	47	-2.0	-101.58	403.15	6.06	-95.52
CC1=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007154512	0	34	-2.0	-90.21	320.66	6.29	-83.92
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)NC(=O)[N-]C1=O	REAL300007154528	1	37	-2.0	-93.75	326.62	1.35	-92.40
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300007154629	0	37	-2.0	-94.42	323.60	4.59	-89.83
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300007154629	1	37	-2.0	-94.39	323.65	4.60	-89.79
CC1=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300007154665	0	34	-2.0	-89.75	314.45	6.21	-83.54
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)=CC(Cl)=C1[O-]	REAL300007154668	1	41	-2.0	-94.01	365.50	7.26	-86.75
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C(C)=C3)=N2)C=C1	REAL300007154678	0	45	-2.0	-107.48	388.70	6.25	-101.23
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)=CO1	REAL300007154702	1	38	-2.0	-94.30	350.42	1.48	-92.82
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300007154868	0	37	-2.0	-87.17	334.19	4.38	-82.79
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300007154868	1	37	-2.0	-87.18	334.26	4.38	-82.80
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(C)=C2)C(=O)[N-]1	REAL300007155200	1	39	-2.0	-92.53	339.31	2.88	-89.65
CC1=CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300007155248	1	42	-2.0	-93.32	353.24	5.76	-87.56
CC1=CC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300007155569	0	34	-2.0	-92.80	329.05	8.32	-84.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])O1	REAL300007157308	1	44	-2.0	-104.49	356.85	3.85	-100.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])=CS1	REAL300007157774	1	51	-2.0	-133.22	401.52	8.32	-124.90
CC1=C(CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007157957	1	53	-2.0	-146.87	411.18	8.52	-138.35
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300007158846	1	40	-2.0	-110.83	311.77	7.85	-102.98
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007158856	1	43	-2.0	-131.85	341.58	9.59	-122.26
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300007158940	0	46	-2.0	-113.51	365.93	5.82	-107.69
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300007158965	1	45	-2.0	-126.69	344.84	7.22	-119.47
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=N2)=C1	REAL300007159014	0	56	-2.0	-151.45	424.69	11.54	-139.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=N2)C=C1	REAL300007159015	0	56	-2.0	-150.39	424.62	11.55	-138.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=N1	REAL300007159081	0	50	-2.0	-147.79	390.87	10.71	-137.08
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007159086	0	47	-2.0	-148.55	370.84	9.70	-138.85
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007159115	1	45	-2.0	-146.71	346.97	9.82	-136.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=N2)=C1	REAL300007159248	0	50	-2.0	-156.09	389.19	10.27	-145.82
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=N1	REAL300007159249	0	53	-2.0	-155.25	410.92	10.94	-144.31
CC1=C(CC(=O)N2CC(C)(C)CCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007159307	1	53	-2.0	-145.56	411.37	8.51	-137.05
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007159362	0	40	-2.0	-107.92	326.70	8.35	-99.57
COC1=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300007159373	1	43	-2.0	-109.02	341.14	2.45	-106.57
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300007159447	0	43	-2.0	-118.88	332.19	7.06	-111.82
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300007159447	1	43	-2.0	-118.91	332.24	7.07	-111.84
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300007159477	0	40	-2.0	-108.72	321.52	8.33	-100.39
CCOC1=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300007159481	1	47	-2.0	-113.29	372.76	9.32	-103.97
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C)CCC3CC(=O)[O-])=N2)C=C1	REAL300007159487	0	51	-2.0	-149.66	393.91	8.92	-140.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])=CO1	REAL300007159502	1	44	-2.0	-111.97	356.20	3.76	-108.21
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007159636	0	43	-2.0	-99.44	340.33	7.23	-92.21
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007159636	1	43	-2.0	-99.44	340.40	7.22	-92.22
COCC1=NC=C(C(=O)N2CC(C)(C)CCC2CC(=O)[O-])C(=O)[N-]1	REAL300007159892	1	45	-2.0	-125.31	346.70	4.88	-120.43
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007159934	1	48	-2.0	-129.24	363.02	7.76	-121.48
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007160172	0	40	-2.0	-126.37	336.74	9.63	-116.74
CC1=C(CCC(=O)N2CC=C(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007161302	1	49	-2.0	-98.65	391.32	7.13	-91.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC=C(C(=O)[O-])CC2)=C1	REAL300007161648	0	39	-2.0	-106.17	334.94	4.41	-101.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007161952	0	39	-2.0	-107.22	335.01	4.65	-102.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC=C(C(=O)[O-])CC2)C=C1	REAL300007161998	1	41	-2.0	-102.42	355.91	10.05	-92.37
O=C([O-])C1=CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300007162180	1	43	-2.0	-103.69	372.09	6.79	-96.90
O=C([O-])C1=CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300007162181	1	43	-2.0	-99.27	370.81	6.74	-92.53
CC1=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007162194	0	39	-2.0	-85.08	352.10	4.93	-80.15
O=C([O-])C1=CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300007162422	0	40	-2.0	-98.30	362.61	5.76	-92.54
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)O1	REAL300007162441	1	42	-2.0	-94.39	354.92	3.47	-90.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)O1	REAL300007162442	1	33	-2.0	-92.56	301.76	1.02	-91.54
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC=C(C(=O)[O-])CC2)=C1	REAL300007162679	0	43	-2.0	-114.24	370.94	2.64	-111.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007162724	0	36	-2.0	-105.81	313.69	3.74	-102.07
O=C([O-])C1=CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300007162732	0	40	-2.0	-97.60	362.76	5.76	-91.84
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC=C(C(=O)[O-])CC2)=CS1	REAL300007163075	1	40	-2.0	-103.93	346.29	5.37	-98.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007163280	0	36	-2.0	-98.56	319.22	3.85	-94.71
CC1=C(CC(=O)N2CC=C(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007163287	1	42	-2.0	-112.00	356.22	5.54	-106.46
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007163292	0	42	-2.0	-107.77	356.50	5.44	-102.33
CC1=C(C(=O)N2CC=C(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007163350	1	42	-2.0	-109.15	346.73	5.20	-103.95
O=C([O-])C1=CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300007163450	1	43	-2.0	-97.07	370.81	6.76	-90.31
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC=C(C(=O)[O-])CC1	REAL300007163975	0	42	-2.0	-108.90	355.07	5.89	-103.01
O=C([O-])C1=CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300007164134	1	32	-2.0	-105.54	288.86	6.82	-98.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC=C(C(=O)[O-])CC2)C=N1	REAL300007164219	0	35	-2.0	-100.07	310.97	2.90	-97.17
O=C([O-])C1=CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300007164280	1	42	-2.0	-93.38	365.85	4.98	-88.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC=C(C(=O)[O-])CC3)=N2)=C1	REAL300007164295	0	45	-2.0	-114.44	369.94	8.58	-105.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC=C(C(=O)[O-])CC3)=N2)C=C1	REAL300007164296	0	45	-2.0	-112.90	369.43	8.57	-104.33
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C(=O)[O-])CC2)=N1	REAL300007164363	0	39	-2.0	-110.26	336.90	7.72	-102.54
O=C([O-])C1=CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300007164367	0	36	-2.0	-111.12	316.09	6.73	-104.39
O=C([O-])C1=CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300007164403	0	36	-2.0	-90.31	333.68	4.21	-86.10
O=C([O-])C1=CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300007164439	0	28	-2.0	-87.97	271.44	3.92	-84.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC=C(C(=O)[O-])CC3)=N2)=C1	REAL300007164488	0	39	-2.0	-117.37	334.45	7.31	-110.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC=C(C(=O)[O-])CC2)=N1	REAL300007164489	0	42	-2.0	-115.09	347.94	8.22	-106.87
CC1=C(CC(=O)N2CC=C(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007164528	1	42	-2.0	-110.81	356.40	5.53	-105.28
CCOC1=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300007164631	1	36	-2.0	-95.77	316.78	6.34	-89.43
O=C([O-])C1=CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300007164635	0	39	-2.0	-119.93	344.65	7.49	-112.44
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC=C(C(=O)[O-])CC3)=N2)C=C1	REAL300007164642	0	40	-2.0	-113.30	339.15	5.96	-107.34
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC=C(C(=O)[O-])CC2)=CO1	REAL300007164659	1	33	-2.0	-93.17	299.65	0.65	-92.52
O=C([O-])C1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300007164776	0	32	-2.0	-87.65	284.17	4.31	-83.34
O=C([O-])C1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300007164776	1	32	-2.0	-87.65	284.23	4.32	-83.33
O=C([O-])C1=CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300007165026	1	37	-2.0	-95.41	305.11	4.75	-90.66
O=C([O-])C1=CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300007165223	0	29	-2.0	-101.19	282.99	6.86	-94.33
CC1=C(C(=O)N2CC=C(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007165437	0	37	-2.0	-111.92	327.04	4.27	-107.65
O=C([O-])C(CCCCNC(=O)C1=CC=C([O-])C(F)=C1)CC(F)(F)F	REAL300007167840	1	39	-2.0	-98.32	350.21	6.32	-92.00
O=C([O-])C(CCCCNC(=O)CCC1=N[N-]N=N1)CC(F)(F)F	REAL300007167912	0	39	-2.0	-93.20	347.66	4.39	-88.81
O=C([O-])C(CCCCNC(=O)CCC1=NN=N[N-]1)CC(F)(F)F	REAL300007167912	1	39	-2.0	-93.23	347.72	4.40	-88.83
O=C([O-])C(CCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC(F)(F)F	REAL300007167995	1	44	-2.0	-95.17	382.82	5.81	-89.36
O=C([O-])C(CCCCNC(=O)C1=CN=CC([O-])=C1)CC(F)(F)F	REAL300007168016	1	38	-2.0	-99.55	338.61	4.43	-95.12
O=C([O-])C(CCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC(F)(F)F	REAL300007168136	1	44	-2.0	-116.67	383.91	8.48	-108.19
O=C([O-])C(CCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC(F)(F)F	REAL300007168391	0	39	-2.0	-93.79	366.22	6.88	-86.91
COC1=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])NC(=O)[N-]C1=O	REAL300007168410	1	42	-2.0	-96.13	371.93	1.94	-94.19
O=C([O-])C(CCCCNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL300007168497	0	42	-2.0	-102.33	368.72	5.16	-97.17
O=C([O-])C(CCCCNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL300007168497	1	42	-2.0	-102.31	368.78	5.17	-97.14
O=C([O-])C(CCCCNC(=O)C1=CC=C([O-])C(Cl)=C1)CC(F)(F)F	REAL300007168528	0	39	-2.0	-94.63	360.01	6.81	-87.82
O=C([O-])C(CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(F)(F)F	REAL300007168677	0	42	-2.0	-87.62	379.76	4.98	-82.64
O=C([O-])C(CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(F)(F)F	REAL300007168677	1	42	-2.0	-87.58	379.82	4.98	-82.60
O=C([O-])C(CCCCNC(=O)C1=C[N-]N=CC1=O)CC(F)(F)F	REAL300007168887	0	37	-2.0	-87.44	330.83	4.85	-82.59
COCC1=NC=C(C(=O)NCCCCC(CC(F)(F)F)C(=O)[O-])C(=O)[N-]1	REAL300007168915	1	44	-2.0	-95.17	384.56	3.46	-91.71
O=C([O-])C(CCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC(F)(F)F	REAL300007168954	1	47	-2.0	-95.12	398.58	6.36	-88.76
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300007170495	1	47	-2.0	-117.71	398.35	8.51	-109.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007170852	1	48	-2.0	-102.09	401.21	2.37	-99.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)O1	REAL300007170853	1	39	-2.0	-101.11	347.72	-0.20	-101.31
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCCCO2)=CS1	REAL300007171340	1	46	-2.0	-113.92	388.96	4.21	-109.71
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCO2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007171536	1	48	-2.0	-119.22	400.32	4.39	-114.83
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCO1	REAL300007172413	1	38	-2.0	-121.43	331.42	6.55	-114.88
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C=N1	REAL300007172499	0	41	-2.0	-109.07	355.58	1.73	-107.34
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCO1	REAL300007172521	1	40	-2.0	-116.92	334.22	3.54	-113.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)=C1	REAL300007172573	0	51	-2.0	-138.52	415.17	6.76	-131.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)C=C1	REAL300007172574	0	51	-2.0	-136.38	413.34	6.78	-129.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300007172636	0	45	-2.0	-132.36	377.23	5.84	-126.52
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCO1	REAL300007172641	0	42	-2.0	-133.46	359.57	4.92	-128.54
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCO1	REAL300007172666	1	40	-2.0	-138.12	335.23	6.18	-131.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)=C1	REAL300007172796	0	45	-2.0	-141.19	379.66	5.50	-135.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300007172797	0	48	-2.0	-138.81	387.43	6.65	-132.16
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCO2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007172847	1	48	-2.0	-130.87	397.08	3.94	-126.93
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCO1	REAL300007172892	0	35	-2.0	-100.44	316.96	4.62	-95.82
COC1=C(C(=O)NC(C(=O)[O-])C2CCCCO2)NC(=O)[N-]C1=O	REAL300007172899	1	38	-2.0	-103.06	320.74	-0.74	-103.80
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCO1	REAL300007172993	0	35	-2.0	-103.60	310.13	4.12	-99.48
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=CC(Cl)=C1[O-]	REAL300007172996	1	42	-2.0	-105.85	361.94	5.56	-100.29
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)C=C1	REAL300007173004	0	46	-2.0	-136.37	384.39	4.15	-132.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCCO2)=CO1	REAL300007173018	1	39	-2.0	-106.78	346.11	-0.64	-107.42
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCO1	REAL300007173145	0	38	-2.0	-94.82	330.63	2.65	-92.17
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCO1	REAL300007173145	1	38	-2.0	-94.76	330.69	2.66	-92.10
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCCO2)C(=O)[N-]1	REAL300007173387	1	40	-2.0	-115.68	335.57	1.20	-114.48
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCO1	REAL300007173424	1	43	-2.0	-117.02	349.48	4.09	-112.93
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCO1	REAL300007173655	0	35	-2.0	-118.93	324.74	6.20	-112.73
O=C([O-])C12CCC(CC1NC(=O)C1=N[N-]C3=CC=CC=C3C1=O)C2	REAL300007174529	0	39	-2.0	-118.00	324.44	7.48	-110.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=C1	REAL300007174770	0	45	-2.0	-134.15	365.96	5.92	-128.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007175085	0	45	-2.0	-130.36	366.15	5.88	-124.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC3CCC2(C(=O)[O-])C3)C=C1	REAL300007175135	1	47	-2.0	-104.62	389.65	10.57	-94.05
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)O1	REAL300007175578	1	48	-2.0	-105.66	394.31	4.04	-101.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)O1	REAL300007175579	1	39	-2.0	-104.50	340.70	1.51	-102.99
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007175852	0	42	-2.0	-128.28	344.69	4.98	-123.30
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC3CCC2(C(=O)[O-])C3)=CS1	REAL300007176221	1	46	-2.0	-123.58	378.89	6.09	-117.49
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007176457	0	42	-2.0	-124.41	350.98	5.32	-119.09
CC1=C(CC(=O)NC2CC3CCC2(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007176460	1	48	-2.0	-126.62	388.85	6.26	-120.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC2CCC1(C(=O)[O-])C2	REAL300007176463	0	48	-2.0	-131.14	387.65	6.67	-124.47
CC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007176543	1	48	-2.0	-117.56	371.60	6.15	-111.41
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300007177574	1	38	-2.0	-133.46	320.84	8.33	-125.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C=N1	REAL300007177682	0	41	-2.0	-112.59	345.77	4.04	-108.55
O=C([O-])C12CCC(CC1NC(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300007177715	1	40	-2.0	-116.67	325.70	5.06	-111.61
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)=N2)=C1	REAL300007177773	0	51	-2.0	-146.81	405.30	9.22	-137.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)=N2)C=C1	REAL300007177774	0	51	-2.0	-129.37	408.81	8.88	-120.49
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=N1	REAL300007177864	0	45	-2.0	-142.00	372.61	8.36	-133.64
O=C([O-])C12CCC(CC1NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300007177869	0	42	-2.0	-143.43	351.50	7.37	-136.06
O=C([O-])C12CCC(CC1NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300007177900	1	40	-2.0	-129.48	328.19	7.89	-121.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)=N2)=C1	REAL300007178053	0	45	-2.0	-150.95	369.86	7.95	-143.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=N1	REAL300007178054	0	48	-2.0	-149.55	385.91	9.11	-140.44
CC1=C(CC(=O)NC2CC3CCC2(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007178125	1	48	-2.0	-106.53	390.38	6.00	-100.53
O=C([O-])C12CCC(CC1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300007178175	0	35	-2.0	-97.56	311.42	6.04	-91.52
COC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)NC(=O)[N-]C1=O	REAL300007178186	1	38	-2.0	-109.34	314.31	1.22	-108.12
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300007178311	0	35	-2.0	-111.55	300.21	6.71	-104.84
CCOC1=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300007178314	1	42	-2.0	-103.83	356.26	7.01	-96.82
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC4CCC3(C(=O)[O-])C4)=N2)C=C1	REAL300007178326	0	46	-2.0	-145.05	374.58	6.60	-138.45
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC3CCC2(C(=O)[O-])C3)=CO1	REAL300007178349	1	39	-2.0	-116.41	336.31	1.69	-114.72
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300007178506	0	38	-2.0	-98.96	320.04	4.58	-94.38
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300007178506	1	38	-2.0	-98.95	320.10	4.59	-94.36
COCC1=NC=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C(=O)[N-]1	REAL300007178825	1	40	-2.0	-115.63	327.54	2.72	-112.91
O=C([O-])C12CCC(CC1NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300007178869	1	43	-2.0	-116.62	341.45	5.62	-111.00
O=C([O-])C12CCC(CC1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300007179167	0	35	-2.0	-128.70	315.22	8.46	-120.24
CC1=C(C(=O)NC2CC3CCC2(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007179467	0	43	-2.0	-123.80	352.64	5.38	-118.42
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Br)=C1	REAL300007180956	1	31	-2.0	-101.15	307.30	6.20	-94.95
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300007181002	0	31	-2.0	-97.72	304.77	4.23	-93.49
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300007181002	1	31	-2.0	-97.74	304.83	4.24	-93.50
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Br)=C1	REAL300007181071	1	30	-2.0	-105.32	295.90	4.36	-100.96
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)NC(=O)[N-]C1=O	REAL300007181305	1	34	-2.0	-98.74	329.04	1.86	-96.88
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300007181359	0	34	-2.0	-106.27	326.03	5.08	-101.19
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300007181359	1	34	-2.0	-106.30	326.09	5.10	-101.20
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Br)=C1	REAL300007181380	0	31	-2.0	-99.05	316.85	6.75	-92.30
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Br)=C1	REAL300007181594	0	29	-2.0	-102.48	288.13	4.79	-97.69
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C(=O)[N-]1	REAL300007181608	1	36	-2.0	-112.20	342.29	3.33	-108.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300007182652	0	39	-2.0	-112.65	314.62	7.64	-105.01
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300007182893	0	45	-2.0	-101.81	360.69	5.54	-96.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007183208	0	45	-2.0	-102.61	359.88	5.91	-96.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300007183258	1	47	-2.0	-106.97	383.41	10.70	-96.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300007183701	1	48	-2.0	-108.64	385.04	4.22	-104.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300007183702	1	39	-2.0	-107.03	331.43	1.69	-105.34
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007183975	0	42	-2.0	-100.90	340.35	4.90	-96.00
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CS1	REAL300007184344	1	46	-2.0	-96.46	372.83	6.09	-90.37
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007184580	0	42	-2.0	-97.85	345.72	4.94	-92.91
CC1=C(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007184583	1	48	-2.0	-108.52	383.86	6.14	-102.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300007184586	0	48	-2.0	-103.06	381.38	6.69	-96.37
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300007184666	1	48	-2.0	-119.25	361.54	6.86	-112.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007185697	1	38	-2.0	-100.07	315.52	8.34	-91.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300007185805	0	41	-2.0	-107.41	339.53	4.04	-103.37
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007185838	1	40	-2.0	-118.02	316.59	5.42	-112.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)=C1	REAL300007185896	0	51	-2.0	-125.48	399.38	9.07	-116.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)C=C1	REAL300007185897	0	51	-2.0	-121.53	400.43	8.97	-112.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300007185987	0	45	-2.0	-116.42	366.67	8.18	-108.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007185992	0	42	-2.0	-122.79	346.65	7.10	-115.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007186023	1	40	-2.0	-119.59	318.93	8.09	-111.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)=C1	REAL300007186176	0	45	-2.0	-124.80	365.00	7.69	-117.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300007186177	0	48	-2.0	-134.85	380.46	8.58	-126.27
CC1=C(CC(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007186248	1	48	-2.0	-106.98	384.06	6.12	-100.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007186298	0	35	-2.0	-93.45	301.14	6.38	-87.07
COC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])NC(=O)[N-]C1=O	REAL300007186309	1	38	-2.0	-98.05	306.68	1.59	-96.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007186434	0	35	-2.0	-93.85	294.96	6.30	-87.55
CCOC1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007186437	1	42	-2.0	-100.58	345.98	7.35	-93.23
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)C=C1	REAL300007186449	0	46	-2.0	-121.32	368.65	6.45	-114.87
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CO1	REAL300007186472	1	39	-2.0	-90.14	331.44	1.57	-88.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007186629	0	38	-2.0	-92.72	315.09	4.45	-88.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007186629	1	38	-2.0	-92.64	315.16	4.45	-88.19
COCC1=NC=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]1	REAL300007186948	1	40	-2.0	-114.75	317.54	3.50	-111.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007186992	1	43	-2.0	-118.31	332.35	5.96	-112.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007187290	0	35	-2.0	-99.16	308.31	8.51	-90.65
CC1=C(C(=O)N[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007187590	0	43	-2.0	-121.91	342.66	5.87	-116.04
O=C([O-])C1(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC2=CC=CC=C2C1	REAL300007189973	0	39	-2.0	-128.16	335.94	8.40	-119.76
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)O1	REAL300007190710	1	39	-2.0	-101.50	351.98	2.83	-98.67
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CS1	REAL300007191166	1	46	-2.0	-127.02	393.72	7.20	-119.82
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CC2=CC=CC=C2C1	REAL300007192234	1	35	-2.0	-110.87	305.34	7.06	-103.81
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2=CC=CC=C2C1	REAL300007192245	1	38	-2.0	-130.55	334.29	9.06	-121.49
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300007192273	0	35	-2.0	-103.45	301.42	5.03	-98.42
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300007192273	1	35	-2.0	-103.45	301.48	5.04	-98.41
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=N1	REAL300007192343	0	41	-2.0	-109.93	359.19	5.09	-104.84
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2=CC=CC=C2C1	REAL300007192367	1	40	-2.0	-117.53	338.43	6.49	-111.04
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300007192484	0	45	-2.0	-139.70	387.65	9.32	-130.38
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2=CC=CC=C2C1	REAL300007192489	0	42	-2.0	-140.85	366.33	8.38	-132.47
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2=CC=CC=C2C1	REAL300007192518	1	40	-2.0	-146.07	339.48	8.75	-137.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)=N2)=C1	REAL300007192654	0	45	-2.0	-148.35	384.86	8.94	-139.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300007192655	0	48	-2.0	-146.40	394.37	10.08	-136.32
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2=CC=CC=C2C1	REAL300007192768	0	35	-2.0	-104.59	319.97	7.53	-97.06
COC1=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)NC(=O)[N-]C1=O	REAL300007192779	1	38	-2.0	-104.93	327.65	2.24	-102.69
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300007192855	0	38	-2.0	-113.36	322.92	5.81	-107.55
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300007192855	1	38	-2.0	-113.37	322.98	5.83	-107.54
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CC2=CC=CC=C2C1	REAL300007192886	0	35	-2.0	-107.90	315.14	7.55	-100.35
CCOC1=CC(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC(Cl)=C1[O-]	REAL300007192890	1	42	-2.0	-110.40	366.19	8.59	-101.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)=N2)C=C1	REAL300007192896	0	46	-2.0	-142.87	388.01	7.52	-135.35
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CO1	REAL300007192912	1	39	-2.0	-110.83	349.73	2.74	-108.09
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C2C1	REAL300007193047	0	38	-2.0	-96.83	334.89	5.70	-91.13
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C2C1	REAL300007193047	1	38	-2.0	-96.78	334.95	5.70	-91.08
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C(=O)[N-]1	REAL300007193307	1	40	-2.0	-116.57	340.29	4.14	-112.43
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC2=CC=CC=C2C1	REAL300007193349	1	43	-2.0	-117.64	354.20	7.04	-110.60
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2=CC=CC=C2C1	REAL300007193593	0	35	-2.0	-126.05	329.75	9.18	-116.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300007196399	1	39	-2.0	-90.18	364.85	3.10	-87.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300007196594	0	42	-2.0	-108.25	372.42	6.41	-101.84
CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300007197148	1	48	-2.0	-96.11	396.58	7.91	-88.20
COC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C([O-])=C1	REAL300007197608	1	39	-2.0	-115.62	339.27	8.10	-107.52
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C21	REAL300007198146	1	35	-2.0	-96.40	318.23	7.34	-89.06
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C21	REAL300007198160	1	38	-2.0	-106.68	348.56	9.79	-96.89
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300007198213	0	35	-2.0	-92.19	315.68	5.41	-86.78
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300007198213	1	35	-2.0	-92.19	315.74	5.42	-86.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300007198294	0	41	-2.0	-95.08	373.20	5.45	-89.63
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C21	REAL300007198325	1	40	-2.0	-96.16	350.83	6.94	-89.22
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C21	REAL300007198365	1	34	-2.0	-95.13	306.80	5.47	-89.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C21	REAL300007198480	0	42	-2.0	-114.62	379.21	8.62	-106.00
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C21	REAL300007198525	0	40	-2.0	-116.13	352.37	9.42	-106.71
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C21	REAL300007198811	0	35	-2.0	-92.29	334.24	7.90	-84.39
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300007198927	0	38	-2.0	-101.76	337.18	6.19	-95.57
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300007198927	1	38	-2.0	-101.79	337.24	6.21	-95.58
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C21	REAL300007198963	0	35	-2.0	-93.65	328.03	7.82	-85.83
CCOC1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300007198966	1	42	-2.0	-95.63	379.08	8.87	-86.76
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=CO1	REAL300007198999	1	39	-2.0	-99.65	364.01	3.09	-96.56
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C21	REAL300007199089	0	43	-2.0	-101.42	376.41	11.80	-89.62
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C21	REAL300007199089	1	43	-2.0	-101.44	376.47	11.78	-89.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300007199162	0	38	-2.0	-87.87	347.76	5.99	-81.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300007199162	1	38	-2.0	-87.88	347.82	5.99	-81.89
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C21	REAL300007199444	0	33	-2.0	-86.95	299.28	5.89	-81.06
COCC1=NC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(=O)[N-]1	REAL300007199478	1	40	-2.0	-95.42	352.93	4.54	-90.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C21	REAL300007199526	1	43	-2.0	-95.83	366.81	7.41	-88.42
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C21	REAL300007199832	0	35	-2.0	-102.37	342.63	9.83	-92.54
CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007200132	0	43	-2.0	-99.06	376.83	6.99	-92.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)O1	REAL300007201981	1	38	-2.0	-97.50	350.34	-3.01	-100.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=CS1	REAL300007202418	1	45	-2.0	-110.88	393.02	1.45	-109.43
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C(O)C1=CC=CN=C1	REAL300007203493	1	34	-2.0	-102.71	305.91	1.99	-100.72
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(O)C1=CC=CN=C1	REAL300007203504	1	37	-2.0	-117.52	334.97	3.82	-113.70
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=CN=C1	REAL300007203538	0	34	-2.0	-97.53	303.01	-0.59	-98.12
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=CN=C1	REAL300007203538	1	34	-2.0	-97.52	303.07	-0.58	-98.10
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C=N1	REAL300007203607	0	40	-2.0	-106.56	361.15	0.06	-106.50
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(O)C1=CC=CN=C1	REAL300007203632	1	39	-2.0	-113.07	337.78	0.79	-112.28
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C(O)C1=CC=CN=C1	REAL300007203668	1	33	-2.0	-103.64	291.73	-0.71	-104.35
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(O)C1=CC=CN=C1	REAL300007203753	0	41	-2.0	-127.99	366.54	2.64	-125.35
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(O)C1=CC=CN=C1	REAL300007203784	1	39	-2.0	-133.12	339.70	3.50	-129.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=N1	REAL300007203923	0	47	-2.0	-134.05	401.38	4.30	-129.75
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(O)C1=CC=CN=C1	REAL300007204034	0	34	-2.0	-99.23	321.79	2.55	-96.68
COC1=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)NC(=O)[N-]C1=O	REAL300007204046	1	37	-2.0	-98.85	323.60	-3.26	-102.11
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CN=C1	REAL300007204124	0	37	-2.0	-103.87	322.66	0.06	-103.81
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CN=C1	REAL300007204124	1	37	-2.0	-103.89	322.71	0.08	-103.81
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(O)C1=CC=CN=C1	REAL300007204156	0	34	-2.0	-100.57	315.48	2.54	-98.03
CCOC1=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=CC(Cl)=C1[O-]	REAL300007204160	1	41	-2.0	-104.38	366.77	3.49	-100.89
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(O)C3=CC=CN=C3)=N2)C=C1	REAL300007204166	0	45	-2.0	-130.70	389.62	1.87	-128.83
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)=CO1	REAL300007204182	1	38	-2.0	-103.91	351.68	-2.32	-106.23
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C1=CC=CN=C1	REAL300007204323	0	37	-2.0	-92.29	335.10	-0.02	-92.31
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C1=CC=CN=C1	REAL300007204323	1	37	-2.0	-92.20	335.17	-0.01	-92.21
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C(O)C1=CC=CN=C1	REAL300007204559	0	32	-2.0	-102.06	285.70	-0.17	-102.23
COCC1=NC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=CN=C2)C(=O)[N-]1	REAL300007204583	1	39	-2.0	-110.81	338.68	-1.61	-112.42
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(O)C1=CC=CN=C1	REAL300007204626	1	42	-2.0	-113.23	353.53	1.33	-111.90
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(O)C1=CC=CN=C1	REAL300007204869	0	34	-2.0	-113.34	329.96	3.92	-109.42
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=C1	REAL300007206871	0	43	-2.0	-101.85	361.71	3.89	-97.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007207184	0	43	-2.0	-103.61	366.11	4.25	-99.36
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(F)(C(=O)[O-])C(C)C)C=C1	REAL300007207234	1	45	-2.0	-100.95	383.54	9.05	-91.90
CC(C)C(F)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300007207682	1	46	-2.0	-99.41	386.15	2.46	-96.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)O1	REAL300007207683	1	37	-2.0	-99.40	337.10	0.05	-99.35
CC(C)C(F)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007207958	0	40	-2.0	-100.76	340.08	3.23	-97.53
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(F)(C(=O)[O-])C(C)C)=CS1	REAL300007208329	1	44	-2.0	-99.86	378.83	4.46	-95.40
CC(C)C(F)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007208565	0	40	-2.0	-96.16	346.73	3.29	-92.87
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(F)(C(=O)[O-])C(C)C	REAL300007208571	0	46	-2.0	-102.67	383.05	4.91	-97.76
CC(C)C(F)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300007209444	0	46	-2.0	-106.10	390.53	5.62	-100.48
CC(C)C(F)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300007209643	1	36	-2.0	-100.35	316.23	6.70	-93.65
CC(C)C(F)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300007209741	0	39	-2.0	-100.82	341.13	2.26	-98.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N2)=C1	REAL300007209825	0	49	-2.0	-122.04	404.99	7.43	-114.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N2)C=C1	REAL300007209826	0	49	-2.0	-119.40	404.92	7.43	-111.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N1	REAL300007209909	0	43	-2.0	-115.36	372.76	6.53	-108.83
CC(C)C(F)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300007209914	0	40	-2.0	-113.97	347.12	5.45	-108.52
CC(C)C(F)(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300007209940	1	38	-2.0	-119.98	324.30	6.44	-113.54
CC(C)C(F)(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300007210011	0	32	-2.0	-89.09	301.59	3.28	-85.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N2)=C1	REAL300007210076	0	43	-2.0	-123.17	369.79	6.16	-117.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N1	REAL300007210077	0	46	-2.0	-121.86	386.28	7.25	-114.61
CC(C)C(F)(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300007210188	0	33	-2.0	-91.76	306.47	4.83	-86.93
COC1=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)NC(=O)[N-]C1=O	REAL300007210197	1	36	-2.0	-94.52	312.61	-0.07	-94.59
CC(C)C(F)(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300007210309	0	33	-2.0	-90.24	295.69	4.63	-85.61
CCOC1=CC(C(=O)NCC(F)(C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300007210313	1	40	-2.0	-97.13	351.31	5.80	-91.33
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(F)(C(=O)[O-])C(C)C)=N2)C=C1	REAL300007210325	0	44	-2.0	-118.02	370.19	4.68	-113.34
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(F)(C(=O)[O-])C(C)C)=CO1	REAL300007210346	1	37	-2.0	-90.42	331.90	-0.10	-90.52
CC(C)C(F)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300007210487	0	36	-2.0	-87.94	315.67	2.80	-85.14
CC(C)C(F)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300007210487	1	36	-2.0	-87.92	315.74	2.81	-85.11
COCC1=NC=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C(=O)[N-]1	REAL300007210779	1	38	-2.0	-109.44	320.78	1.31	-108.13
CC(C)C(F)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300007211090	0	33	-2.0	-98.25	310.29	6.74	-91.51
CC1=C(C(=O)NCC(F)(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007211361	1	41	-2.0	-116.73	348.66	3.94	-112.79
CC1=C(CCC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300007212745	1	52	-2.0	-120.59	405.56	6.54	-114.05
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300007213296	1	44	-2.0	-132.96	368.91	9.29	-123.67
C[C@H]1OCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)[C@@H]1C(=O)[O-]	REAL300007213658	1	45	-2.0	-97.82	368.50	2.81	-95.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])O1	REAL300007213659	1	36	-2.0	-96.78	314.88	0.28	-96.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=CS1	REAL300007214157	1	43	-2.0	-126.66	360.52	4.75	-121.91
CC1=C(CC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007214349	1	45	-2.0	-132.38	371.59	5.12	-127.26
C[C@H]1OCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])[C@@H]1C(=O)[O-]	REAL300007215138	1	35	-2.0	-113.36	301.07	5.74	-107.62
C[C@H]1OCCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)[C@@H]1C(=O)[O-]	REAL300007215215	0	38	-2.0	-108.10	321.52	2.20	-105.90
C[C@H]1OCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)[C@@H]1C(=O)[O-]	REAL300007215233	1	37	-2.0	-125.43	310.59	3.83	-121.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=N2)=C1	REAL300007215281	0	48	-2.0	-145.49	384.04	8.12	-137.37
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=N2)C=C1	REAL300007215282	0	48	-2.0	-144.62	383.95	8.12	-136.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300007215335	0	42	-2.0	-137.23	350.77	6.24	-130.99
C[C@H]1OCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])[C@@H]1C(=O)[O-]	REAL300007215340	0	39	-2.0	-143.13	330.17	6.28	-136.85
C[C@H]1OCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)[C@@H]1C(=O)[O-]	REAL300007215360	1	37	-2.0	-146.87	302.32	6.48	-140.39
C[C@H]1OCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)[C@@H]1C(=O)[O-]	REAL300007215378	0	39	-2.0	-107.47	342.71	3.53	-103.94
C[C@H]1OCCN(C(=O)C2=CN=C(I)C([O-])=C2)[C@@H]1C(=O)[O-]	REAL300007215418	0	31	-2.0	-102.55	291.30	3.74	-98.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=N2)=C1	REAL300007215468	0	42	-2.0	-149.84	348.53	6.87	-142.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300007215469	0	45	-2.0	-145.81	365.22	7.10	-138.71
CC1=C(CC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007215511	1	45	-2.0	-130.47	371.78	5.11	-125.36
C[C@H]1OCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)[C@@H]1C(=O)[O-]	REAL300007215548	0	32	-2.0	-102.93	282.17	4.69	-98.24
COC1=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300007215554	1	35	-2.0	-101.79	299.21	-1.32	-103.11
CCOC1=CC(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007215631	1	39	-2.0	-108.52	336.55	6.10	-102.42
C[C@H]1OCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])[C@@H]1C(=O)[O-]	REAL300007215634	0	42	-2.0	-143.96	356.77	7.09	-136.87
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=N2)C=C1	REAL300007215639	0	43	-2.0	-143.22	352.28	5.22	-138.00
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=CO1	REAL300007215650	1	36	-2.0	-105.95	320.88	0.47	-105.48
C[C@H]1OCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@@H]1C(=O)[O-]	REAL300007215755	0	35	-2.0	-95.86	299.47	3.74	-92.12
C[C@H]1OCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C(=O)[O-]	REAL300007215755	1	35	-2.0	-95.84	299.54	3.75	-92.09
COCC1=NC=C(C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300007215971	1	37	-2.0	-123.20	312.68	1.42	-121.78
C[C@H]1OCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)[C@@H]1C(=O)[O-]	REAL300007216007	1	40	-2.0	-125.16	326.39	4.38	-120.78
C[C@H]1OCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@@H]1C(=O)[O-]	REAL300007216202	0	32	-2.0	-115.79	301.60	5.63	-110.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)O1	REAL300007218557	1	42	-2.0	-100.31	378.96	2.91	-97.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H](C2=CC=CC(C(=O)[O-])=C2)C1	REAL300007218749	0	45	-2.0	-102.90	386.53	6.21	-96.69
CC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007219301	1	51	-2.0	-102.30	410.69	7.71	-94.59
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C([O-])C(F)=C3)C2)=C1	REAL300007220302	1	38	-2.0	-99.65	332.35	7.15	-92.50
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)=C1	REAL300007220315	1	41	-2.0	-102.43	362.65	9.67	-92.76
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCC3=N[N-]N=N3)C2)=CC=C1	REAL300007220369	0	38	-2.0	-95.00	329.78	5.20	-89.80
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCC3=NN=N[N-]3)C2)=CC=C1	REAL300007220369	1	38	-2.0	-95.02	329.84	5.22	-89.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C=N1	REAL300007220450	0	44	-2.0	-102.55	387.55	5.24	-97.31
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)=C1	REAL300007220481	1	43	-2.0	-101.03	365.43	6.65	-94.38
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CN=CC([O-])=C3)C2)=C1	REAL300007220521	1	37	-2.0	-99.48	321.18	5.26	-94.22
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2)=C1	REAL300007220636	0	45	-2.0	-111.37	393.32	8.44	-102.93
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)=C1	REAL300007220682	1	43	-2.0	-111.58	366.48	9.29	-102.29
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)=C1	REAL300007220969	0	38	-2.0	-96.54	348.42	7.71	-88.83
COC1=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)NC(=O)[N-]C1=O	REAL300007220987	1	41	-2.0	-100.37	354.31	2.77	-97.60
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCCC3=N[N-]N=N3)C2)=CC=C1	REAL300007221085	0	41	-2.0	-99.57	351.37	5.99	-93.58
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCCC3=NN=N[N-]3)C2)=CC=C1	REAL300007221085	1	41	-2.0	-99.56	351.43	6.00	-93.56
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C([O-])C(Cl)=C3)C2)=C1	REAL300007221121	0	38	-2.0	-96.15	342.12	7.64	-88.51
CCOC1=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)=CC(Cl)=C1[O-]	REAL300007221125	1	45	-2.0	-100.48	393.21	8.68	-91.80
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)=CO1	REAL300007221158	1	42	-2.0	-100.60	378.14	2.89	-97.71
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=C1	REAL300007221321	0	41	-2.0	-93.21	361.92	5.78	-87.43
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=C1	REAL300007221321	1	41	-2.0	-93.16	361.99	5.79	-87.37
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=C[N-]N=CC3=O)C2)=C1	REAL300007221603	0	36	-2.0	-91.47	313.43	5.71	-85.76
COCC1=NC=C(C(=O)N[C@H]2C[C@H](C3=CC=CC(C(=O)[O-])=C3)C2)C(=O)[N-]1	REAL300007221637	1	43	-2.0	-100.15	367.29	4.30	-95.85
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)=C1	REAL300007221685	1	46	-2.0	-100.98	380.94	7.26	-93.72
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)=C1	REAL300007221990	0	38	-2.0	-99.02	356.73	9.71	-89.31
CC1=C(CCC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007223528	1	54	-2.0	-113.81	418.45	7.89	-105.92
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007223881	0	44	-2.0	-119.46	361.63	5.15	-114.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007224193	0	44	-2.0	-120.10	361.32	5.42	-114.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC(=O)[O-])C2)C=C1	REAL300007224243	1	46	-2.0	-130.15	381.91	10.76	-119.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300007224695	1	47	-2.0	-119.83	377.54	4.75	-115.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)O1	REAL300007224696	1	38	-2.0	-118.14	322.09	2.38	-115.76
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC(=O)[O-])C2)=C1	REAL300007224927	0	48	-2.0	-127.05	392.18	3.40	-123.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007224973	0	41	-2.0	-118.35	339.86	4.52	-113.83
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(CC(=O)[O-])C2)=CS1	REAL300007225347	1	45	-2.0	-118.72	372.28	6.10	-112.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007225582	0	41	-2.0	-110.62	346.66	4.55	-106.07
CC1=C(CC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007225587	1	47	-2.0	-122.97	382.23	6.28	-116.69
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007225591	0	47	-2.0	-120.73	382.82	6.21	-114.52
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007225662	1	47	-2.0	-122.89	370.98	5.83	-117.06
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(CC(=O)[O-])C1	REAL300007226412	0	47	-2.0	-120.71	386.31	6.75	-113.96
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007226607	1	37	-2.0	-122.46	317.42	6.89	-115.57
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C=N1	REAL300007226706	0	40	-2.0	-109.96	338.91	3.68	-106.28
O=C([O-])CC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300007226737	1	39	-2.0	-119.99	323.13	5.06	-114.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)=C1	REAL300007226791	0	50	-2.0	-133.54	395.77	9.28	-124.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)C=C1	REAL300007226792	0	50	-2.0	-132.13	395.54	9.27	-122.86
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300007226868	0	44	-2.0	-130.03	367.98	7.80	-122.23
O=C([O-])CC1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007226873	0	41	-2.0	-131.69	341.92	7.43	-124.26
O=C([O-])CC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007226897	1	39	-2.0	-135.83	317.79	7.97	-127.86
O=C([O-])CC1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300007226917	0	41	-2.0	-100.14	360.80	4.99	-95.15
O=C([O-])CC1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300007226966	0	33	-2.0	-103.02	298.69	4.60	-98.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)=C1	REAL300007227029	0	44	-2.0	-138.12	360.26	8.01	-130.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC(=O)[O-])C2)=N1	REAL300007227030	0	47	-2.0	-135.08	381.38	8.56	-126.52
CC1=C(CC(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007227090	1	47	-2.0	-121.20	382.38	6.27	-114.93
O=C([O-])CC1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007227133	0	34	-2.0	-99.38	300.44	6.16	-93.22
COC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300007227141	1	37	-2.0	-98.31	312.06	0.09	-98.22
CCOC1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300007227248	1	41	-2.0	-102.89	345.30	7.14	-95.75
O=C([O-])CC1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300007227252	0	44	-2.0	-136.46	370.22	8.23	-128.23
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC(=O)[O-])C3)=N2)C=C1	REAL300007227260	0	45	-2.0	-131.96	364.83	6.64	-125.32
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(CC(=O)[O-])C2)=CO1	REAL300007227280	1	38	-2.0	-107.12	327.69	1.47	-105.65
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007227411	0	37	-2.0	-91.30	310.53	5.02	-86.28
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007227411	1	37	-2.0	-91.28	310.60	5.04	-86.24
COCC1=NC=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]1	REAL300007227683	1	39	-2.0	-105.95	319.90	2.56	-103.39
O=C([O-])CC1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007227722	1	42	-2.0	-106.48	333.66	5.52	-100.96
O=C([O-])CC1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007227983	0	34	-2.0	-118.92	310.43	6.89	-112.03
CC1=C(C(=O)N2CCCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007228244	0	42	-2.0	-123.77	352.83	4.99	-118.78
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300007229104	0	45	-2.0	-107.92	370.11	5.86	-102.06
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007229419	0	45	-2.0	-108.88	372.27	6.11	-102.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300007229469	1	47	-2.0	-107.82	391.95	11.43	-96.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300007229912	1	48	-2.0	-103.34	390.40	4.76	-98.58
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300007229913	1	39	-2.0	-102.93	336.78	2.22	-100.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007230186	0	42	-2.0	-107.04	350.85	5.19	-101.85
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)=CS1	REAL300007230555	1	46	-2.0	-98.03	381.74	6.79	-91.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007230791	0	42	-2.0	-100.18	355.14	5.27	-94.91
CC1=C(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007230794	1	48	-2.0	-109.23	392.62	6.95	-102.28
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300007230797	0	48	-2.0	-109.44	393.77	6.90	-102.54
CC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007230877	1	48	-2.0	-111.40	381.32	6.51	-104.89
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300007231908	1	38	-2.0	-106.67	326.03	7.40	-99.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300007232016	0	41	-2.0	-102.82	348.67	4.36	-98.46
O=C([O-])C1CC12CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300007232049	1	40	-2.0	-111.70	332.27	5.70	-106.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300007232107	0	51	-2.0	-116.68	405.00	9.94	-106.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300007232108	0	51	-2.0	-116.52	405.19	9.94	-106.58
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300007232198	0	45	-2.0	-114.28	377.38	8.45	-105.83
O=C([O-])C1CC12CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300007232203	0	42	-2.0	-115.42	351.43	8.08	-107.34
O=C([O-])C1CC12CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300007232234	1	40	-2.0	-113.59	324.55	9.17	-104.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300007232387	0	45	-2.0	-118.95	369.79	8.69	-110.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300007232388	0	48	-2.0	-113.70	390.75	9.24	-104.46
CC1=C(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007232459	1	48	-2.0	-107.57	392.81	6.94	-100.63
O=C([O-])C1CC12CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300007232509	0	35	-2.0	-95.95	310.04	6.82	-89.13
COC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300007232520	1	38	-2.0	-98.87	321.38	0.73	-98.14
O=C([O-])C1CC12CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300007232645	0	35	-2.0	-96.14	303.75	6.76	-89.38
CCOC1=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300007232648	1	42	-2.0	-100.15	354.88	7.80	-92.35
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300007232660	0	46	-2.0	-114.11	374.51	7.33	-106.78
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=CO1	REAL300007232683	1	39	-2.0	-97.08	336.36	2.07	-95.01
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300007232840	0	38	-2.0	-90.37	320.57	5.67	-84.70
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300007232840	1	38	-2.0	-90.38	320.63	5.67	-84.71
COCC1=NC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]1	REAL300007233159	1	40	-2.0	-109.49	334.36	3.29	-106.20
O=C([O-])C1CC12CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300007233203	1	43	-2.0	-100.22	348.12	6.25	-93.97
O=C([O-])C1CC12CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300007233501	0	35	-2.0	-104.51	320.99	7.57	-96.94
CC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007233801	0	43	-2.0	-113.76	361.50	5.59	-108.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=C1	REAL300007235243	0	45	-2.0	-107.34	378.54	4.19	-103.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=NN(C)C(C(=O)[O-])=C2C1	REAL300007235507	0	45	-2.0	-104.29	380.23	4.51	-99.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)O1	REAL300007235918	1	39	-2.0	-113.99	346.42	0.75	-113.24
CN1N=C2CCN(C(=O)C3=CC=CC=C3[N-]S(C)(=O)=O)CC2=C1C(=O)[O-]	REAL300007236153	0	42	-2.0	-102.96	358.92	3.61	-99.35
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=CS1	REAL300007236482	1	46	-2.0	-111.38	391.39	5.22	-106.16
CN1N=C2CCN(C(=O)C3=CC(F)=CC=C3[N-]S(C)(=O)=O)CC2=C1C(=O)[O-]	REAL300007236696	0	42	-2.0	-99.56	363.53	3.59	-95.97
CC1=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007236785	1	48	-2.0	-108.44	388.99	5.27	-103.17
CN1N=C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2=C1C(=O)[O-]	REAL300007237839	1	35	-2.0	-101.22	302.59	4.67	-96.55
CN1N=C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2=C1C(=O)[O-]	REAL300007237852	1	38	-2.0	-108.66	333.23	5.79	-102.87
CN1N=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1C(=O)[O-]	REAL300007237893	0	35	-2.0	-92.57	300.44	3.11	-89.46
CN1N=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1C(=O)[O-]	REAL300007237893	1	35	-2.0	-92.54	300.50	3.13	-89.41
CN1N=C2CCN(C(=O)C3=CC=C([N-]S(C)(=O)=O)N=C3)CC2=C1C(=O)[O-]	REAL300007237981	0	41	-2.0	-110.98	356.61	2.64	-108.34
CN1N=C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2=C1C(=O)[O-]	REAL300007238017	1	40	-2.0	-113.92	334.47	4.03	-109.89
CN1N=C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2=C1C(=O)[O-]	REAL300007238061	1	34	-2.0	-90.65	289.79	2.76	-87.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=N1	REAL300007238173	0	45	-2.0	-108.46	380.13	7.46	-101.00
CN1N=C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2=C1C(=O)[O-]	REAL300007238178	0	42	-2.0	-108.45	359.40	6.51	-101.94
CN1N=C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2=C1C(=O)[O-]	REAL300007238224	1	40	-2.0	-111.35	333.89	7.66	-103.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)=N2)=C1	REAL300007238393	0	45	-2.0	-117.09	377.86	7.09	-110.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=N1	REAL300007238394	0	48	-2.0	-122.82	400.04	7.70	-115.12
CN1N=C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2=C1C(=O)[O-]	REAL300007238530	0	35	-2.0	-90.64	317.05	5.18	-85.46
COC1=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)NC(=O)[N-]C1=O	REAL300007238548	1	38	-2.0	-90.90	330.91	-0.84	-91.74
CN1N=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1C(=O)[O-]	REAL300007238648	0	38	-2.0	-105.17	321.98	3.90	-101.27
CN1N=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1C(=O)[O-]	REAL300007238648	1	38	-2.0	-105.16	322.04	3.92	-101.24
CN1N=C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2=C1C(=O)[O-]	REAL300007238688	0	35	-2.0	-98.19	312.38	5.16	-93.03
CCOC1=CC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=CC(Cl)=C1[O-]	REAL300007238692	1	42	-2.0	-95.02	361.90	6.16	-88.86
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=NN(C)C(C(=O)[O-])=C4C3)=N2)C=C1	REAL300007238701	0	46	-2.0	-115.16	382.47	5.74	-109.42
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)=CO1	REAL300007238725	1	39	-2.0	-90.71	345.46	0.49	-90.22
CN1N=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1C(=O)[O-]	REAL300007238893	0	38	-2.0	-94.86	329.33	4.16	-90.70
CN1N=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1C(=O)[O-]	REAL300007238893	1	38	-2.0	-94.84	329.40	4.17	-90.67
CN1N=C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2=C1C(=O)[O-]	REAL300007239192	0	33	-2.0	-99.34	290.24	3.19	-96.15
COCC1=NC=C(C(=O)N2CCC3=NN(C)C(C(=O)[O-])=C3C2)C(=O)[N-]1	REAL300007239228	1	40	-2.0	-105.12	343.98	1.73	-103.39
CN1N=C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2=C1C(=O)[O-]	REAL300007239278	1	43	-2.0	-113.59	350.32	4.58	-109.01
CN1N=C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2=C1C(=O)[O-]	REAL300007239604	0	35	-2.0	-104.31	327.28	5.81	-98.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=C1	REAL300007240842	0	45	-2.0	-106.61	372.85	4.49	-102.12
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007241151	0	45	-2.0	-107.03	372.55	4.73	-102.30
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C=C1	REAL300007241198	1	47	-2.0	-102.95	393.37	10.08	-92.87
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007241634	1	48	-2.0	-110.97	392.33	3.45	-107.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)O1	REAL300007241635	1	39	-2.0	-109.51	338.72	0.92	-108.59
CC1(C)CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC(C(=O)[O-])O1	REAL300007241908	0	42	-2.0	-103.22	351.47	3.80	-99.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=CS1	REAL300007242259	1	46	-2.0	-95.35	383.77	5.41	-89.94
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC(C(=O)[O-])O1	REAL300007242497	0	42	-2.0	-98.98	357.86	3.91	-95.07
CC1=C(CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007242500	1	48	-2.0	-104.24	393.69	5.59	-98.65
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])OC(C)(C)C1	REAL300007242503	0	48	-2.0	-107.56	394.05	5.52	-102.04
CC1=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007242584	1	48	-2.0	-112.54	381.88	5.52	-107.02
CC1(C)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC(C(=O)[O-])O1	REAL300007243617	1	38	-2.0	-101.09	327.41	6.31	-94.78
CC1(C)CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC(C(=O)[O-])O1	REAL300007243725	0	41	-2.0	-107.46	350.69	2.92	-104.54
CC1(C)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC(C(=O)[O-])O1	REAL300007243759	1	40	-2.0	-105.00	334.62	4.36	-100.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=N2)=C1	REAL300007243818	0	51	-2.0	-119.23	407.05	8.60	-110.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=N2)C=C1	REAL300007243819	0	51	-2.0	-118.68	407.00	8.61	-110.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=N1	REAL300007243910	0	45	-2.0	-117.15	379.49	7.12	-110.03
CC1(C)CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC(C(=O)[O-])O1	REAL300007243915	0	42	-2.0	-117.46	353.20	6.75	-110.71
CC1(C)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC(C(=O)[O-])O1	REAL300007243947	1	40	-2.0	-114.05	326.55	7.85	-106.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=N2)=C1	REAL300007244106	0	45	-2.0	-123.26	371.53	7.33	-115.93
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=N1	REAL300007244107	0	48	-2.0	-120.58	392.87	7.89	-112.69
CC1=C(CC(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007244178	1	48	-2.0	-105.08	393.83	5.58	-99.50
CC1(C)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC(C(=O)[O-])O1	REAL300007244230	0	35	-2.0	-95.31	310.58	5.43	-89.88
COC1=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)NC(=O)[N-]C1=O	REAL300007244243	1	38	-2.0	-101.26	323.53	-0.61	-101.87
CC1(C)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC(C(=O)[O-])O1	REAL300007244372	0	35	-2.0	-95.35	304.45	5.38	-89.97
CCOC1=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=CC(Cl)=C1[O-]	REAL300007244375	1	42	-2.0	-99.50	355.44	6.41	-93.09
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OC(C)(C)C3)=N2)C=C1	REAL300007244387	0	46	-2.0	-118.79	376.27	6.00	-112.79
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)=CO1	REAL300007244410	1	39	-2.0	-93.49	338.00	0.75	-92.74
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C(=O)[O-])O1	REAL300007244566	0	38	-2.0	-93.49	322.00	4.38	-89.11
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C(=O)[O-])O1	REAL300007244566	1	38	-2.0	-93.50	322.07	4.38	-89.12
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(=O)[N-]1	REAL300007244883	1	40	-2.0	-109.58	328.88	1.83	-107.75
CC1(C)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC(C(=O)[O-])O1	REAL300007244927	1	43	-2.0	-109.17	350.20	4.91	-104.26
CC1(C)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC(C(=O)[O-])O1	REAL300007245229	0	35	-2.0	-98.99	321.23	6.79	-92.20
CC1=C(C(=O)N2CC(C(=O)[O-])OC(C)(C)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007245528	0	43	-2.0	-115.77	362.17	4.60	-111.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=C1	REAL300007246956	0	44	-2.0	-105.17	363.35	4.98	-100.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007247226	0	44	-2.0	-95.95	367.74	5.26	-90.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)O1	REAL300007247642	1	38	-2.0	-97.02	334.13	1.55	-95.47
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007247879	0	41	-2.0	-94.77	346.27	4.36	-90.41
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=CS1	REAL300007248214	1	45	-2.0	-94.90	378.47	5.96	-88.94
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(F)F)CC1	REAL300007248430	0	41	-2.0	-98.24	348.36	4.38	-93.86
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300007249577	1	34	-2.0	-88.50	287.02	5.42	-83.08
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300007249590	1	37	-2.0	-94.33	322.36	6.75	-87.58
O=C([O-])C1(C(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300007249630	0	34	-2.0	-83.89	287.58	3.89	-80.00
O=C([O-])C1(C(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300007249630	1	34	-2.0	-83.86	287.64	3.90	-79.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C=N1	REAL300007249720	0	40	-2.0	-91.45	342.22	3.41	-88.04
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300007249800	1	33	-2.0	-96.38	275.93	3.33	-93.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=N1	REAL300007249912	0	44	-2.0	-111.37	369.34	8.27	-103.10
O=C([O-])C1(C(F)F)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300007249917	0	41	-2.0	-111.32	347.43	7.22	-104.10
O=C([O-])C1(C(F)F)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300007249963	1	39	-2.0	-113.17	323.44	7.80	-105.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=N2)=C1	REAL300007250130	0	44	-2.0	-115.93	366.05	7.83	-108.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=N1	REAL300007250131	0	47	-2.0	-121.05	388.30	8.39	-112.66
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300007250268	0	34	-2.0	-91.86	305.23	5.90	-85.96
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)NC(=O)[N-]C1=O	REAL300007250285	1	37	-2.0	-95.13	318.30	-0.06	-95.19
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300007250389	0	37	-2.0	-90.31	309.06	4.67	-85.64
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300007250389	1	37	-2.0	-90.28	309.12	4.69	-85.59
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300007250429	0	34	-2.0	-85.60	296.81	5.89	-79.71
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=CC(Cl)=C1[O-]	REAL300007250433	1	41	-2.0	-95.88	350.07	6.89	-88.99
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(F)F)CC3)=N2)C=C1	REAL300007250442	0	45	-2.0	-111.92	370.78	6.48	-105.44
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)=CO1	REAL300007250466	1	38	-2.0	-93.19	333.25	1.21	-91.98
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300007250634	0	37	-2.0	-82.83	316.75	4.90	-77.93
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300007250634	1	37	-2.0	-82.78	316.81	4.91	-77.87
O=C([O-])C1(C(F)F)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300007250933	0	32	-2.0	-95.35	269.64	3.84	-91.51
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C(=O)[N-]1	REAL300007250969	1	39	-2.0	-98.91	325.97	2.42	-96.49
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300007251347	0	34	-2.0	-94.69	315.19	7.26	-87.43
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300007251657	0	42	-2.0	-102.86	357.38	4.75	-98.11
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)F)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007251657	1	42	-2.0	-102.86	357.38	4.75	-98.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)=C1	REAL300007252518	0	49	-2.0	-97.36	395.12	4.78	-92.58
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007252766	0	49	-2.0	-97.20	398.05	5.01	-92.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)O1	REAL300007253150	1	43	-2.0	-87.44	363.61	1.18	-86.26
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])CO2)CC1	REAL300007253366	0	46	-2.0	-95.85	376.58	4.12	-91.73
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)=CS1	REAL300007253678	1	50	-2.0	-98.55	408.10	5.69	-92.86
CC1=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007253962	1	52	-2.0	-98.16	407.27	5.45	-92.71
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300007254988	1	39	-2.0	-90.08	319.63	5.18	-84.90
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300007255001	1	42	-2.0	-95.65	353.72	6.53	-89.12
O=C([O-])C1COC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300007255043	0	39	-2.0	-85.90	317.16	3.59	-82.31
O=C([O-])C1COC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300007255043	1	39	-2.0	-85.91	317.22	3.60	-82.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C=N1	REAL300007255126	0	45	-2.0	-94.28	375.30	3.21	-91.07
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300007255161	1	44	-2.0	-96.20	359.05	4.65	-91.55
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300007255203	1	38	-2.0	-90.25	307.37	3.16	-87.09
O=C([O-])C1COC2(C1)CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300007255316	0	46	-2.0	-105.63	378.06	7.04	-98.59
O=C([O-])C1COC2(C1)CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300007255362	1	44	-2.0	-107.45	350.89	8.10	-99.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)=N1	REAL300007255521	0	52	-2.0	-107.61	418.09	8.14	-99.47
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300007255653	0	39	-2.0	-86.18	334.63	5.70	-80.48
COC1=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)NC(=O)[N-]C1=O	REAL300007255671	1	42	-2.0	-89.88	348.46	-0.29	-90.17
O=C([O-])C1COC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300007255770	0	42	-2.0	-94.19	338.66	4.37	-89.82
O=C([O-])C1COC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300007255770	1	42	-2.0	-94.18	338.71	4.38	-89.80
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300007255808	0	39	-2.0	-86.59	329.43	5.65	-80.94
CCOC1=CC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)=CC(Cl)=C1[O-]	REAL300007255811	1	46	-2.0	-89.96	379.60	6.67	-83.29
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)=CO1	REAL300007255843	1	43	-2.0	-91.34	362.84	1.04	-90.30
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300007256009	0	42	-2.0	-82.41	347.23	4.59	-77.82
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300007256009	1	42	-2.0	-82.36	347.30	4.60	-77.76
O=C([O-])C1COC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300007256297	0	37	-2.0	-85.48	307.86	3.71	-81.77
COCC1=NC=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C(=O)[N-]1	REAL300007256332	1	44	-2.0	-95.70	361.51	2.26	-93.44
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300007256381	1	47	-2.0	-92.03	370.09	5.07	-86.96
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300007256701	0	39	-2.0	-93.17	347.34	6.52	-86.65
CC1=C(C(=O)N2CCC3(CC(C(=O)[O-])CO3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007257002	0	47	-2.0	-101.42	388.66	4.59	-96.83
CC1=C(CCC(=O)N2C(C)CC2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300007257815	0	48	-2.0	-104.29	389.17	6.63	-97.66
CC1=C(CCC(=O)N2C(C)CC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300007257815	1	48	-2.0	-104.29	389.17	6.63	-97.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C(C)CC2C(=O)[O-])=C1	REAL300007258129	0	38	-2.0	-118.16	323.81	3.66	-114.50
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300007258376	1	42	-2.0	-102.29	367.40	6.00	-96.29
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C(C)CC1C(=O)[O-]	REAL300007258419	0	38	-2.0	-118.44	325.76	3.86	-114.58
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C(C)CC2C(=O)[O-])C=C1	REAL300007258457	1	40	-2.0	-124.63	348.23	9.80	-114.83
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300007258507	1	42	-2.0	-105.22	367.17	6.97	-98.25
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C)CC2C(=O)[O-])C=C1	REAL300007258509	1	45	-2.0	-106.19	380.89	7.67	-98.52
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007258624	1	42	-2.0	-115.14	363.76	6.17	-108.97
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007258625	1	42	-2.0	-118.68	360.96	5.95	-112.73
CC1=CC(C(=O)N2C(C)CC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007258636	0	38	-2.0	-88.77	344.84	4.19	-84.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3C(C)CC3C(=O)[O-])C=C2)C=C1	REAL300007258756	1	45	-2.0	-106.86	382.38	7.57	-99.29
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007258838	0	39	-2.0	-109.85	352.70	5.90	-103.95
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300007258855	1	41	-2.0	-99.31	348.52	3.53	-95.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C)CC2C(=O)[O-])O1	REAL300007258856	1	32	-2.0	-98.08	293.64	1.10	-96.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3C(C)CC3C(=O)[O-])=C2)C=C1	REAL300007258965	1	45	-2.0	-109.92	382.38	6.61	-103.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3C(C)CC3C(=O)[O-])=C2)=C1	REAL300007259002	1	45	-2.0	-102.09	385.05	6.68	-95.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C(C)CC2C(=O)[O-])=C1	REAL300007259073	0	42	-2.0	-122.47	354.25	1.88	-120.59
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300007259121	0	35	-2.0	-116.60	304.29	2.96	-113.64
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007259130	0	39	-2.0	-116.09	352.89	4.96	-111.13
CC1CC(C(=O)[O-])N1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007259131	0	42	-2.0	-103.94	386.13	6.29	-97.65
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C(C)CC2C(=O)[O-])=CS1	REAL300007259433	1	39	-2.0	-107.05	339.88	4.69	-102.36
CC1CC(C(=O)[O-])N1C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300007259606	0	35	-2.0	-112.90	310.66	3.02	-109.88
CC1=C(CC(=O)N2C(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007259615	1	41	-2.0	-126.66	347.48	5.55	-121.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C(C)CC1C(=O)[O-]	REAL300007259620	0	41	-2.0	-119.11	347.26	4.64	-114.47
CC1=C(C(=O)N2C(C)CC2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300007259670	1	41	-2.0	-129.15	325.45	5.26	-123.89
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300007259776	1	42	-2.0	-99.76	363.96	6.16	-93.60
CC1CC(C(=O)[O-])N1C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300007260192	0	41	-2.0	-123.62	349.96	5.20	-118.42
CC1CC(C(=O)[O-])N1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300007260273	0	28	-2.0	-102.41	280.64	5.27	-97.14
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007260326	1	31	-2.0	-116.11	280.38	6.10	-110.01
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007260402	0	34	-2.0	-108.12	302.46	3.01	-105.11
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300007260455	1	41	-2.0	-102.42	356.02	5.13	-97.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C(C)CC3C(=O)[O-])=N2)=C1	REAL300007260470	0	44	-2.0	-142.60	359.51	8.64	-133.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CC3C(=O)[O-])=N2)C=C1	REAL300007260471	0	44	-2.0	-142.08	359.25	8.61	-133.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C(C)CC2C(=O)[O-])=N1	REAL300007260525	0	38	-2.0	-138.62	334.52	6.27	-132.35
CC1CC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007260528	0	35	-2.0	-140.69	305.35	6.76	-133.93
CC1CC(C(=O)[O-])N1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007260556	0	35	-2.0	-98.23	322.50	3.39	-94.84
CC1CC(C(=O)[O-])N1C(=O)C1=CN=C(I)C([O-])=C1	REAL300007260587	0	27	-2.0	-107.51	262.93	3.03	-104.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C(C)CC3C(=O)[O-])=N2)=C1	REAL300007260623	0	38	-2.0	-147.42	323.73	7.35	-140.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C(C)CC2C(=O)[O-])=N1	REAL300007260624	0	41	-2.0	-142.06	349.32	7.13	-134.93
CC1=C(CC(=O)N2C(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007260647	1	41	-2.0	-106.23	354.55	5.14	-101.09
CCOC1=CC(C(=O)N2C(C)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007260716	1	35	-2.0	-113.31	306.88	5.54	-107.77
CC1CC(C(=O)[O-])N1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007260720	0	38	-2.0	-138.99	334.17	6.76	-132.23
COC1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CC3C(=O)[O-])=N2)C=C1	REAL300007260726	0	39	-2.0	-141.72	328.54	5.99	-135.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2C(C)CC2C(=O)[O-])=CO1	REAL300007260741	1	32	-2.0	-102.69	291.93	-0.06	-102.75
CC1CC(C(=O)[O-])N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007261181	0	28	-2.0	-103.06	276.65	6.54	-96.52
CC1=C(C(=O)N2C(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007261351	0	36	-2.0	-132.69	305.75	4.34	-128.35
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=C1	REAL300007262117	0	45	-2.0	-118.43	364.25	5.98	-112.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007262432	0	45	-2.0	-119.97	364.32	6.21	-113.76
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=C1	REAL300007262482	1	47	-2.0	-130.38	384.61	11.59	-118.79
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)O1	REAL300007262925	1	48	-2.0	-105.57	370.64	5.86	-99.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)O1	REAL300007262926	1	39	-2.0	-104.37	317.02	3.33	-101.04
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007263199	0	42	-2.0	-117.94	342.86	5.31	-112.63
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=CS1	REAL300007263568	1	46	-2.0	-109.60	374.83	6.90	-102.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007263804	0	42	-2.0	-109.64	349.27	5.38	-104.26
CC1=C(CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007263807	1	48	-2.0	-126.85	385.29	7.10	-119.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2CC(C1)C(C(=O)[O-])C2	REAL300007263810	0	48	-2.0	-120.72	385.83	7.01	-113.71
CC1=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007263890	1	48	-2.0	-123.92	373.39	6.66	-117.26
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300007264921	1	38	-2.0	-145.17	302.51	8.60	-136.57
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C=N1	REAL300007265029	0	41	-2.0	-110.07	341.81	4.49	-105.58
O=C([O-])C1CC2CC1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300007265062	1	40	-2.0	-97.79	318.63	5.68	-92.11
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=N2)=C1	REAL300007265120	0	51	-2.0	-125.80	398.39	10.09	-115.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=N2)C=C1	REAL300007265121	0	51	-2.0	-124.59	397.97	10.05	-114.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=N1	REAL300007265211	0	45	-2.0	-127.29	370.93	8.63	-118.66
O=C([O-])C1CC2CC1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300007265216	0	42	-2.0	-123.81	344.54	8.24	-115.57
O=C([O-])C1CC2CC1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300007265247	1	40	-2.0	-121.52	317.92	9.35	-112.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=N2)=C1	REAL300007265400	0	45	-2.0	-130.87	363.24	8.85	-122.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=N1	REAL300007265401	0	48	-2.0	-134.84	384.81	9.34	-125.50
CC1=C(CC(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007265472	1	48	-2.0	-125.84	385.46	7.09	-118.75
O=C([O-])C1CC2CC1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300007265522	0	35	-2.0	-113.15	289.96	6.94	-106.21
COC1=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)NC(=O)[N-]C1=O	REAL300007265533	1	38	-2.0	-97.43	314.28	0.86	-96.57
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300007265658	0	35	-2.0	-115.71	280.89	7.50	-108.21
CCOC1=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300007265661	1	42	-2.0	-119.78	334.80	7.92	-111.86
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC(C3)C(C(=O)[O-])C4)=N2)C=C1	REAL300007265673	0	46	-2.0	-124.42	367.25	7.44	-116.98
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)=CO1	REAL300007265696	1	39	-2.0	-122.58	315.74	2.98	-119.60
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300007265853	0	38	-2.0	-90.53	313.49	5.85	-84.68
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300007265853	1	38	-2.0	-90.48	313.56	5.86	-84.62
COCC1=NC=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(=O)[N-]1	REAL300007266172	1	40	-2.0	-97.77	320.48	3.33	-94.44
O=C([O-])C1CC2CC1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300007266216	1	43	-2.0	-121.12	340.84	6.35	-114.77
O=C([O-])C1CC2CC1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300007266514	0	35	-2.0	-116.10	312.65	7.82	-108.28
CC1=C(C(=O)N2CC3CC(C2)C(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007266814	0	43	-2.0	-125.40	351.74	5.85	-119.55
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300007269927	1	45	-2.0	-97.75	347.32	6.72	-91.03
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300007269999	0	45	-2.0	-90.50	343.27	5.00	-85.50
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300007269999	1	45	-2.0	-90.51	343.33	5.02	-85.49
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300007270082	1	50	-2.0	-106.69	386.80	6.19	-100.50
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300007270103	1	44	-2.0	-95.01	335.27	4.69	-90.32
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300007270223	1	50	-2.0	-114.87	377.02	9.50	-105.37
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300007270478	0	45	-2.0	-93.86	363.46	7.28	-86.58
COC1=C(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300007270497	1	48	-2.0	-93.80	375.40	1.06	-92.74
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300007270584	0	48	-2.0	-94.64	364.78	5.78	-88.86
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300007270584	1	48	-2.0	-94.67	364.84	5.80	-88.87
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300007270615	0	45	-2.0	-94.13	357.11	7.21	-86.92
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300007270764	0	48	-2.0	-91.30	374.60	6.16	-85.14
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300007270764	1	48	-2.0	-91.29	374.66	6.16	-85.13
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300007270974	0	43	-2.0	-92.66	335.05	5.23	-87.43
COCC1=NC=C(C(=O)N2CCC([C@H]3CCOC[C@H]3C(=O)[O-])CC2)C(=O)[N-]1	REAL300007271002	1	50	-2.0	-104.70	388.90	3.78	-100.92
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300007271041	1	53	-2.0	-101.36	394.87	6.57	-94.79
O=C([O-])C1=CC(CNC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1C(F)(F)F	REAL300007275734	1	34	-2.0	-96.34	318.76	5.98	-90.36
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300007275805	0	34	-2.0	-92.51	316.21	4.05	-88.46
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300007275805	1	34	-2.0	-92.49	316.27	4.07	-88.42
O=C([O-])C1=CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1C(F)(F)F	REAL300007275881	1	39	-2.0	-97.90	351.81	5.50	-92.40
O=C([O-])C1=CC(CNC(=O)C2=CN=CC([O-])=C2)=CC=C1C(F)(F)F	REAL300007275898	1	33	-2.0	-96.38	307.60	4.11	-92.27
O=C([O-])C1=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1C(F)(F)F	REAL300007276008	1	39	-2.0	-110.58	352.90	8.15	-102.43
O=C([O-])C1=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300007276249	0	34	-2.0	-93.22	334.77	6.55	-86.67
COC1=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300007276268	1	37	-2.0	-96.20	340.92	1.63	-94.57
O=C([O-])C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300007276348	0	37	-2.0	-97.71	337.71	4.83	-92.88
O=C([O-])C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300007276348	1	37	-2.0	-97.72	337.77	4.85	-92.87
O=C([O-])C1=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300007276377	0	34	-2.0	-92.82	328.56	6.47	-86.35
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(F)(F)F	REAL300007276511	0	37	-2.0	-89.97	348.30	4.62	-85.35
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(F)(F)F	REAL300007276511	1	37	-2.0	-89.97	348.37	4.63	-85.34
O=C([O-])C1=CC(CNC(=O)C2=C[N-]N=CC2=O)=CC=C1C(F)(F)F	REAL300007276699	0	32	-2.0	-88.54	299.82	4.52	-84.02
COCC1=NC=C(C(=O)NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300007276723	1	39	-2.0	-96.98	353.66	3.15	-93.83
O=C([O-])C1=CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1C(F)(F)F	REAL300007276759	1	42	-2.0	-98.08	367.57	6.02	-92.06
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(I)=C1	REAL300007278334	1	30	-2.0	-105.34	302.38	4.83	-100.51
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(I)=C1	REAL300007278408	0	29	-2.0	-102.71	294.86	5.19	-97.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=C1	REAL300007279588	0	45	-2.0	-97.95	367.40	5.46	-92.49
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007279903	0	45	-2.0	-99.28	367.51	5.70	-93.58
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=C1	REAL300007279953	1	47	-2.0	-111.08	389.06	11.01	-100.07
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)O1	REAL300007280396	1	48	-2.0	-92.84	391.62	4.45	-88.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)O1	REAL300007280397	1	39	-2.0	-92.20	336.85	2.00	-90.20
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007280670	0	42	-2.0	-97.88	346.05	4.80	-93.08
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=CS1	REAL300007281039	1	46	-2.0	-122.40	383.29	6.41	-115.99
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007281275	0	42	-2.0	-92.61	353.15	4.86	-87.75
CC1=C(CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007281278	1	48	-2.0	-138.38	392.85	6.57	-131.81
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1	REAL300007281281	0	48	-2.0	-99.62	389.01	6.48	-93.14
CC1=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007281361	1	48	-2.0	-140.26	382.67	6.23	-134.03
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C[C@H]2C1	REAL300007282392	1	38	-2.0	-98.13	322.28	7.96	-90.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C=N1	REAL300007282500	0	41	-2.0	-96.32	344.25	3.86	-92.46
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@H]2C1	REAL300007282533	1	40	-2.0	-98.95	332.47	5.37	-93.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=N2)=C1	REAL300007282591	0	51	-2.0	-113.97	404.52	9.55	-104.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=N2)C=C1	REAL300007282592	0	51	-2.0	-135.88	406.01	9.61	-126.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=N1	REAL300007282682	0	45	-2.0	-109.74	370.65	8.58	-101.16
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C[C@H]2C1	REAL300007282687	0	42	-2.0	-110.28	350.67	7.70	-102.58
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C[C@H]2C1	REAL300007282718	1	40	-2.0	-133.21	325.16	8.87	-124.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=N2)=C1	REAL300007282871	0	45	-2.0	-141.23	370.57	8.35	-132.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=N1	REAL300007282872	0	48	-2.0	-114.18	385.79	9.37	-104.81
CC1=C(CC(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007282943	1	48	-2.0	-137.44	393.04	6.56	-130.88
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C[C@H]2C1	REAL300007282993	0	35	-2.0	-108.04	306.92	6.38	-101.66
COC1=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)NC(=O)[N-]C1=O	REAL300007283004	1	38	-2.0	-92.72	313.13	1.86	-90.86
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@H]2C1	REAL300007283129	0	35	-2.0	-90.24	299.59	6.25	-83.99
CCOC1=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=CC(Cl)=C1[O-]	REAL300007283132	1	42	-2.0	-112.89	351.79	7.35	-105.54
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)=N2)C=C1	REAL300007283144	0	46	-2.0	-135.31	375.30	7.00	-128.31
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)=CO1	REAL300007283167	1	39	-2.0	-93.26	333.87	1.66	-91.60
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C1	REAL300007283324	0	38	-2.0	-85.98	319.41	5.34	-80.64
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C1	REAL300007283324	1	38	-2.0	-85.95	319.48	5.35	-80.60
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(=O)[N-]1	REAL300007283643	1	40	-2.0	-97.96	334.56	2.96	-95.00
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@H]2C1	REAL300007283687	1	43	-2.0	-98.69	348.32	5.93	-92.76
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]2C1	REAL300007283985	0	35	-2.0	-125.96	317.99	8.15	-117.81
CC1=C(C(=O)N2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007284285	0	43	-2.0	-142.59	362.98	5.31	-137.28
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=C1	REAL300007285177	0	48	-2.0	-103.53	382.54	5.79	-97.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007285476	0	48	-2.0	-103.77	381.67	6.03	-97.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007285934	1	51	-2.0	-97.15	405.62	4.89	-92.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)O1	REAL300007285935	1	42	-2.0	-96.06	352.01	2.35	-93.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007286196	0	45	-2.0	-102.34	360.20	5.13	-97.21
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=CS1	REAL300007286536	1	49	-2.0	-114.40	397.79	6.82	-107.58
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007286766	0	45	-2.0	-97.89	367.57	5.19	-92.70
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007286768	1	51	-2.0	-127.78	409.19	7.03	-120.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2CCC2)C1	REAL300007286771	0	51	-2.0	-104.34	403.17	6.82	-97.52
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007286854	1	51	-2.0	-101.67	397.29	6.93	-94.74
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300007287912	1	38	-2.0	-92.30	305.84	6.30	-86.00
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007287924	1	41	-2.0	-103.56	336.26	8.09	-95.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C=N1	REAL300007288030	0	44	-2.0	-96.82	361.05	4.34	-92.48
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300007288065	1	43	-2.0	-103.96	347.64	5.73	-98.23
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=N2)=C1	REAL300007288123	0	54	-2.0	-124.92	421.41	10.01	-114.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=N2)C=C1	REAL300007288124	0	54	-2.0	-120.22	418.32	10.34	-109.88
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=N1	REAL300007288220	0	48	-2.0	-119.32	388.56	9.13	-110.19
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007288225	0	45	-2.0	-119.41	366.35	8.05	-111.36
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007288267	1	43	-2.0	-123.72	339.10	9.21	-114.51
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=N2)=C1	REAL300007288432	0	48	-2.0	-127.40	385.91	8.75	-118.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=N1	REAL300007288433	0	51	-2.0	-126.64	399.79	9.69	-116.95
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007288510	1	51	-2.0	-109.30	406.79	7.08	-102.22
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007288572	0	38	-2.0	-88.63	321.86	6.85	-81.78
COC1=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)NC(=O)[N-]C1=O	REAL300007288589	1	41	-2.0	-94.55	327.96	2.20	-92.35
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300007288688	0	41	-2.0	-103.40	329.82	5.55	-97.85
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300007288688	1	41	-2.0	-103.39	329.87	5.57	-97.82
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300007288725	0	38	-2.0	-89.56	315.64	6.78	-82.78
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=CC(Cl)=C1[O-]	REAL300007288729	1	45	-2.0	-93.84	366.71	7.82	-86.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C4CCC4)C3)=N2)C=C1	REAL300007288739	0	49	-2.0	-120.01	387.61	7.72	-112.29
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)=CO1	REAL300007288763	1	42	-2.0	-88.57	349.99	2.14	-86.43
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007288929	0	41	-2.0	-86.97	332.74	6.10	-80.87
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007288929	1	41	-2.0	-86.97	332.80	6.11	-80.86
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C3CCC3)C2)C(=O)[N-]1	REAL300007289264	1	43	-2.0	-99.86	347.82	3.34	-96.52
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007289312	1	46	-2.0	-109.50	351.29	5.97	-103.53
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007289634	0	38	-2.0	-99.79	330.34	8.13	-91.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300007292012	0	43	-2.0	-111.44	357.03	2.99	-108.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007292322	0	43	-2.0	-112.61	356.57	3.18	-109.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300007292370	1	45	-2.0	-115.14	377.69	8.57	-106.57
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300007292811	1	46	-2.0	-93.00	379.41	2.06	-90.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300007292812	1	37	-2.0	-92.52	325.79	-0.47	-92.99
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007293084	0	40	-2.0	-108.25	333.31	2.26	-105.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=CS1	REAL300007293442	1	44	-2.0	-118.28	369.26	3.95	-114.33
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007293682	0	40	-2.0	-100.15	342.58	2.45	-97.70
CC1=C(CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007293685	1	46	-2.0	-115.28	378.93	4.08	-111.20
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2OC[C@@H](C(=O)[O-])[C@H]2C1	REAL300007293688	0	46	-2.0	-113.12	378.07	3.97	-109.15
CC1=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007293769	1	46	-2.0	-114.07	365.32	3.61	-110.46
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C[C@@H]21	REAL300007294810	1	36	-2.0	-113.30	311.20	5.19	-108.11
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300007294917	0	39	-2.0	-107.07	331.08	1.38	-105.69
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@@H]21	REAL300007294950	1	38	-2.0	-115.84	320.90	2.84	-113.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=N2)=C1	REAL300007295009	0	49	-2.0	-123.96	394.46	7.09	-116.87
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=N2)C=C1	REAL300007295010	0	49	-2.0	-122.97	394.40	7.09	-115.88
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300007295100	0	43	-2.0	-119.64	361.63	6.17	-113.47
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C[C@@H]21	REAL300007295105	0	40	-2.0	-121.47	340.61	5.24	-116.23
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C[C@@H]21	REAL300007295136	1	38	-2.0	-125.37	312.84	6.33	-119.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=N2)=C1	REAL300007295291	0	43	-2.0	-138.12	357.08	5.81	-132.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300007295292	0	46	-2.0	-136.48	373.85	6.84	-129.64
CC1=C(CC(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007295362	1	46	-2.0	-113.69	379.11	4.07	-109.62
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C[C@@H]21	REAL300007295413	0	33	-2.0	-100.88	293.19	3.84	-97.04
COC1=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)NC(=O)[N-]C1=O	REAL300007295425	1	36	-2.0	-96.84	298.73	-0.47	-97.31
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@@H]21	REAL300007295553	0	33	-2.0	-103.63	284.92	3.71	-99.92
CCOC1=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=CC(Cl)=C1[O-]	REAL300007295556	1	40	-2.0	-104.71	338.04	4.82	-99.89
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)=N2)C=C1	REAL300007295568	0	44	-2.0	-122.96	363.68	4.47	-118.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)=CO1	REAL300007295591	1	37	-2.0	-97.92	321.12	-0.83	-98.75
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300007295747	0	36	-2.0	-92.80	306.93	2.83	-89.97
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300007295747	1	36	-2.0	-92.81	307.00	2.84	-89.97
COCC1=NC=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]1	REAL300007296068	1	38	-2.0	-114.13	322.76	0.49	-113.64
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@@H]21	REAL300007296112	1	41	-2.0	-112.07	334.45	3.32	-108.75
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300007296411	0	33	-2.0	-109.37	305.27	5.24	-104.13
CC1=C(C(=O)N2C[C@H]3OC[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007296714	0	41	-2.0	-127.86	347.11	2.96	-124.90
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C=C1	REAL300007297820	1	49	-2.0	-114.22	391.94	11.69	-102.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])O1	REAL300007298181	1	50	-2.0	-89.11	394.06	5.22	-83.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])O1	REAL300007298182	1	41	-2.0	-88.57	340.45	2.68	-85.89
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2C(C)(C)C(=O)[O-])=CS1	REAL300007298669	1	48	-2.0	-107.71	382.77	6.93	-100.78
CC1=C(CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007298867	1	50	-2.0	-113.05	395.02	7.22	-105.83
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007299747	1	40	-2.0	-112.00	315.83	8.52	-103.48
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007299832	0	43	-2.0	-107.13	340.62	4.26	-102.87
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007299853	1	42	-2.0	-119.66	320.52	5.74	-113.92
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=N2)=C1	REAL300007299905	0	53	-2.0	-120.12	408.55	10.20	-109.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=N2)C=C1	REAL300007299906	0	53	-2.0	-119.39	408.54	10.22	-109.17
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=N1	REAL300007299968	0	47	-2.0	-116.23	373.79	9.08	-107.15
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007299973	0	44	-2.0	-117.43	354.76	8.35	-109.08
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007299997	1	42	-2.0	-117.85	324.67	9.21	-108.64
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=N2)=C1	REAL300007300123	0	47	-2.0	-124.13	373.10	8.93	-115.20
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=N1	REAL300007300124	0	50	-2.0	-120.34	371.56	9.51	-110.83
CC1=C(CC(=O)N2CCCC2C(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007300174	1	50	-2.0	-111.23	389.54	7.17	-104.06
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007300218	0	37	-2.0	-91.16	306.54	6.96	-84.20
COC1=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300007300225	1	40	-2.0	-92.63	314.17	2.31	-90.32
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007300318	0	37	-2.0	-98.40	295.22	6.71	-91.69
CCOC1=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007300321	1	44	-2.0	-95.57	351.46	7.82	-87.75
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(C)(C)C(=O)[O-])=N2)C=C1	REAL300007300329	0	48	-2.0	-118.19	375.10	7.45	-110.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C(C)(C)C(=O)[O-])=CO1	REAL300007300343	1	41	-2.0	-99.57	330.63	2.10	-97.47
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007300470	0	40	-2.0	-85.95	322.97	5.96	-79.99
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007300470	1	40	-2.0	-85.95	323.03	5.98	-79.97
COCC1=NC=C(C(=O)N2CCCC2C(C)(C)C(=O)[O-])C(=O)[N-]1	REAL300007300716	1	42	-2.0	-119.09	323.25	3.92	-115.17
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007300753	1	45	-2.0	-119.71	336.26	6.29	-113.42
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007300980	0	37	-2.0	-104.04	311.71	8.63	-95.41
CC1=C(CCC(=O)N2CC(C(=O)[O-])CC2(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007301708	1	54	-2.0	-99.70	420.43	7.78	-91.92
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])CC2(C)C)C=C1	REAL300007302258	1	46	-2.0	-101.39	385.03	10.71	-90.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)O1	REAL300007302619	1	47	-2.0	-103.19	384.69	4.17	-99.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)O1	REAL300007302620	1	38	-2.0	-101.85	331.00	1.65	-100.20
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CC2(C)C)=CS1	REAL300007303119	1	45	-2.0	-93.68	375.43	6.03	-87.65
CC1=C(CC(=O)N2CC(C(=O)[O-])CC2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007303311	1	47	-2.0	-103.27	386.27	6.23	-97.04
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007304085	1	37	-2.0	-95.30	313.87	7.73	-87.57
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007304161	0	40	-2.0	-94.34	338.72	3.51	-90.83
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007304179	1	39	-2.0	-103.61	327.24	4.97	-98.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC3(C)C)=N2)=C1	REAL300007304227	0	50	-2.0	-117.12	399.27	9.17	-107.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC3(C)C)=N2)C=C1	REAL300007304228	0	50	-2.0	-113.97	399.16	9.18	-104.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC2(C)C)=N1	REAL300007304280	0	44	-2.0	-109.22	366.72	8.29	-100.93
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007304285	0	41	-2.0	-108.36	345.42	7.32	-101.04
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007304303	1	39	-2.0	-111.08	318.09	8.39	-102.69
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007304321	0	41	-2.0	-90.86	360.13	4.79	-86.07
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300007304361	0	33	-2.0	-88.29	299.31	4.45	-83.84
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC3(C)C)=N2)=C1	REAL300007304409	0	44	-2.0	-116.71	363.75	7.90	-108.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC2(C)C)=N1	REAL300007304410	0	47	-2.0	-115.28	377.83	8.85	-106.43
CC1=C(CC(=O)N2CC(C(=O)[O-])CC2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007304452	1	47	-2.0	-101.81	386.44	6.22	-95.59
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007304487	0	34	-2.0	-90.02	299.70	5.95	-84.07
COC1=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)NC(=O)[N-]C1=O	REAL300007304493	1	37	-2.0	-94.54	307.22	1.38	-93.16
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=CC(Cl)=C1[O-]	REAL300007304571	1	41	-2.0	-96.23	344.54	6.92	-89.31
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007304574	0	44	-2.0	-120.53	371.36	8.52	-112.01
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC3(C)C)=N2)C=C1	REAL300007304579	0	45	-2.0	-113.87	368.44	6.57	-107.30
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC2(C)C)=CO1	REAL300007304590	1	38	-2.0	-87.79	328.19	1.28	-86.51
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007304696	0	37	-2.0	-88.43	313.53	4.96	-83.47
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007304696	1	37	-2.0	-88.41	313.60	4.96	-83.45
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC2(C)C)C(=O)[N-]1	REAL300007304907	1	39	-2.0	-102.42	329.08	2.62	-99.80
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007304941	1	42	-2.0	-103.74	343.00	5.51	-98.23
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007305136	0	34	-2.0	-93.92	310.53	7.53	-86.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007308191	1	51	-2.0	-98.45	399.39	5.00	-93.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007308192	1	42	-2.0	-97.86	345.77	2.47	-95.39
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CS1	REAL300007308662	1	49	-2.0	-112.75	395.23	7.16	-105.59
CC1=C(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007308851	1	51	-2.0	-120.57	404.77	7.26	-113.31
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]1CCCC2	REAL300007309751	1	38	-2.0	-105.46	303.30	6.48	-98.98
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])[C@H]1CCCC2	REAL300007309761	1	41	-2.0	-114.87	326.39	8.87	-106.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007309845	0	44	-2.0	-112.03	354.20	4.36	-107.67
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]1CCCC2	REAL300007309869	1	43	-2.0	-116.54	327.86	5.68	-110.86
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)=C1	REAL300007309919	0	54	-2.0	-133.41	413.91	10.03	-123.38
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)C=C1	REAL300007309920	0	54	-2.0	-132.27	413.90	10.03	-122.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007309987	0	48	-2.0	-132.57	385.42	9.32	-123.25
O=C([O-])[C@]12CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])[C@H]1CCCC2	REAL300007309992	0	45	-2.0	-130.69	360.12	8.18	-122.51
O=C([O-])[C@]12CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@H]1CCCC2	REAL300007310022	1	43	-2.0	-136.95	336.20	9.89	-127.06
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)=C1	REAL300007310157	0	48	-2.0	-141.66	383.15	8.97	-132.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007310158	0	51	-2.0	-135.56	395.17	9.81	-125.75
CC1=C(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007310216	1	51	-2.0	-118.29	404.04	7.22	-111.07
O=C([O-])[C@]12CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)[C@H]1CCCC2	REAL300007310271	0	38	-2.0	-103.11	318.93	7.47	-95.64
COC1=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)NC(=O)[N-]C1=O	REAL300007310282	1	41	-2.0	-101.14	322.80	2.33	-98.81
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300007310356	0	41	-2.0	-109.17	321.58	5.53	-103.64
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300007310356	1	41	-2.0	-109.16	321.63	5.54	-103.62
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]1CCCC2	REAL300007310386	0	38	-2.0	-103.54	313.09	6.97	-96.57
CCOC1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CC(Cl)=C1[O-]	REAL300007310390	1	45	-2.0	-108.70	363.79	8.44	-100.26
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)C=C1	REAL300007310396	0	49	-2.0	-136.48	387.87	7.62	-128.86
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CO1	REAL300007310411	1	42	-2.0	-98.43	338.58	1.95	-96.48
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCC2	REAL300007310548	0	41	-2.0	-95.98	331.89	6.33	-89.65
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCC2	REAL300007310548	1	41	-2.0	-95.98	331.96	6.34	-89.64
COCC1=NC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]1	REAL300007310806	1	43	-2.0	-114.35	344.91	3.53	-110.82
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@H]1CCCC2	REAL300007310848	1	46	-2.0	-130.44	360.89	6.55	-123.89
O=C([O-])[C@]12CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@H]1CCCC2	REAL300007311088	0	38	-2.0	-124.00	328.95	8.81	-115.19
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007312747	1	51	-2.0	-98.45	399.39	5.00	-93.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007312748	1	42	-2.0	-97.86	345.77	2.47	-95.39
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CS1	REAL300007313218	1	49	-2.0	-112.75	395.23	7.16	-105.59
CC1=C(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007313407	1	51	-2.0	-120.57	404.77	7.26	-113.31
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]1CCCC2	REAL300007314307	1	38	-2.0	-105.46	303.30	6.48	-98.98
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])[C@H]1CCCC2	REAL300007314317	1	41	-2.0	-114.87	326.39	8.87	-106.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007314401	0	44	-2.0	-112.03	354.20	4.36	-107.67
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]1CCCC2	REAL300007314425	1	43	-2.0	-116.54	327.86	5.68	-110.86
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)=C1	REAL300007314475	0	54	-2.0	-133.41	413.91	10.03	-123.38
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)C=C1	REAL300007314476	0	54	-2.0	-132.27	413.90	10.03	-122.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007314543	0	48	-2.0	-132.57	385.42	9.32	-123.25
O=C([O-])[C@]12CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])[C@H]1CCCC2	REAL300007314548	0	45	-2.0	-130.69	360.12	8.18	-122.51
O=C([O-])[C@]12CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@H]1CCCC2	REAL300007314578	1	43	-2.0	-136.95	336.20	9.89	-127.06
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)=C1	REAL300007314713	0	48	-2.0	-141.66	383.15	8.97	-132.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007314714	0	51	-2.0	-135.56	395.17	9.81	-125.75
CC1=C(CC(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007314772	1	51	-2.0	-118.29	404.04	7.22	-111.07
O=C([O-])[C@]12CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)[C@H]1CCCC2	REAL300007314827	0	38	-2.0	-103.11	318.93	7.47	-95.64
COC1=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)NC(=O)[N-]C1=O	REAL300007314838	1	41	-2.0	-101.14	322.80	2.33	-98.81
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300007314912	0	41	-2.0	-109.17	321.58	5.53	-103.64
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300007314912	1	41	-2.0	-109.16	321.63	5.54	-103.62
O=C([O-])[C@]12CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]1CCCC2	REAL300007314942	0	38	-2.0	-103.54	313.09	6.97	-96.57
CCOC1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CC(Cl)=C1[O-]	REAL300007314946	1	45	-2.0	-108.70	363.79	8.44	-100.26
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@]4(C(=O)[O-])CCCC[C@H]34)=N2)C=C1	REAL300007314952	0	49	-2.0	-136.48	387.87	7.62	-128.86
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)=CO1	REAL300007314967	1	42	-2.0	-98.43	338.58	1.95	-96.48
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCC2	REAL300007315104	0	41	-2.0	-95.98	331.89	6.33	-89.65
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCC2	REAL300007315104	1	41	-2.0	-95.98	331.96	6.34	-89.64
COCC1=NC=C(C(=O)N2CC[C@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]1	REAL300007315362	1	43	-2.0	-114.35	344.91	3.53	-110.82
O=C([O-])[C@]12CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@H]1CCCC2	REAL300007315404	1	46	-2.0	-130.44	360.89	6.55	-123.89
O=C([O-])[C@]12CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@H]1CCCC2	REAL300007315644	0	38	-2.0	-124.00	328.95	8.81	-115.19
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2(C1)CCOCC2	REAL300007316493	0	43	-2.0	-98.49	332.86	7.01	-91.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)O1	REAL300007317169	1	43	-2.0	-99.77	349.40	1.40	-98.37
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CC23CCOCC3)=CS1	REAL300007317588	1	50	-2.0	-90.28	394.23	5.74	-84.54
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C2(C1)CCOCC2	REAL300007318636	1	39	-2.0	-93.46	302.23	5.18	-88.28
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2(C1)CCOCC2	REAL300007318647	1	42	-2.0	-90.85	334.78	6.94	-83.91
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300007318682	0	39	-2.0	-86.01	303.32	3.65	-82.36
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300007318682	1	39	-2.0	-86.00	303.38	3.66	-82.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C=N1	REAL300007318748	0	45	-2.0	-99.18	357.38	3.21	-95.97
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2(C1)CCOCC2	REAL300007318773	1	44	-2.0	-103.70	338.35	4.62	-99.08
O=C([O-])C1CN(C(=O)C2=CN=CC([O-])=C2)C2(C1)CCOCC2	REAL300007318808	1	38	-2.0	-89.11	290.99	3.23	-85.88
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2(C1)CCOCC2	REAL300007318890	0	46	-2.0	-102.89	364.01	7.07	-95.82
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2(C1)CCOCC2	REAL300007318921	1	44	-2.0	-104.48	336.84	7.63	-96.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=N1	REAL300007319051	0	52	-2.0	-109.46	396.78	8.63	-100.83
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2(C1)CCOCC2	REAL300007319158	0	39	-2.0	-87.98	318.24	5.74	-82.24
COC1=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)NC(=O)[N-]C1=O	REAL300007319170	1	42	-2.0	-92.49	324.99	0.76	-91.73
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300007319247	0	42	-2.0	-86.58	324.79	4.41	-82.17
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300007319247	1	42	-2.0	-86.62	324.85	4.44	-82.18
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2(C1)CCOCC2	REAL300007319279	0	39	-2.0	-89.33	312.02	5.65	-83.68
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=CC(Cl)=C1[O-]	REAL300007319282	1	46	-2.0	-93.80	363.09	6.69	-87.11
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)=CO1	REAL300007319302	1	43	-2.0	-85.63	346.73	1.07	-84.56
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(C1)CCOCC2	REAL300007319441	0	42	-2.0	-86.94	332.21	4.71	-82.23
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(C1)CCOCC2	REAL300007319441	1	42	-2.0	-86.91	332.27	4.71	-82.20
O=C([O-])C1CN(C(=O)C2=C[N-]N=CC2=O)C2(C1)CCOCC2	REAL300007319668	0	37	-2.0	-91.46	286.00	3.72	-87.74
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC23CCOCC3)C(=O)[N-]1	REAL300007319691	1	44	-2.0	-102.16	340.43	2.26	-99.90
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2(C1)CCOCC2	REAL300007319733	1	47	-2.0	-103.92	354.11	5.17	-98.75
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCOCC2	REAL300007319974	0	39	-2.0	-88.91	328.49	6.97	-81.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)O1	REAL300007321511	1	45	-2.0	-103.11	350.25	3.41	-99.70
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=CS1	REAL300007321946	1	52	-2.0	-123.50	395.81	7.92	-115.58
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)CCC2	REAL300007323014	1	41	-2.0	-108.40	305.02	7.33	-101.07
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCC2	REAL300007323025	1	44	-2.0	-135.54	336.76	9.40	-126.14
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCC1=N[N-]N=N1)CCC2	REAL300007323059	0	41	-2.0	-104.01	304.81	5.80	-98.21
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCC1=NN=N[N-]1)CCC2	REAL300007323059	1	41	-2.0	-103.99	304.87	5.81	-98.18
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C=N1	REAL300007323128	0	47	-2.0	-109.04	361.32	5.37	-103.67
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCC2	REAL300007323153	1	46	-2.0	-111.26	340.76	6.70	-104.56
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CN=CC([O-])=C1)CCC2	REAL300007323188	1	40	-2.0	-115.01	293.71	5.40	-109.61
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CCC2	REAL300007323271	0	48	-2.0	-136.70	364.56	9.27	-127.43
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCC2	REAL300007323302	1	46	-2.0	-147.68	343.13	9.46	-138.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=N1	REAL300007323439	0	54	-2.0	-131.81	403.83	10.43	-121.38
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCC2	REAL300007323549	0	41	-2.0	-103.86	320.28	7.87	-95.99
COC1=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)NC(=O)[N-]C1=O	REAL300007323561	1	44	-2.0	-104.06	335.28	1.92	-102.14
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL300007323639	0	44	-2.0	-107.35	325.30	6.62	-100.73
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL300007323639	1	44	-2.0	-107.39	325.35	6.63	-100.76
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C([O-])C(Cl)=C1)CCC2	REAL300007323671	0	41	-2.0	-106.36	314.82	7.81	-98.55
CCOC1=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=CC(Cl)=C1[O-]	REAL300007323674	1	48	-2.0	-111.12	365.87	8.85	-102.27
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@]4(C(=O)[O-])CCCC[C@H]34)=N2)C=C1	REAL300007323680	0	52	-2.0	-138.22	387.61	8.50	-129.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)=CO1	REAL300007323696	1	45	-2.0	-114.56	349.30	3.25	-111.31
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCC2	REAL300007323837	0	44	-2.0	-95.46	335.24	6.92	-88.54
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCC2	REAL300007323837	1	44	-2.0	-95.44	335.31	6.93	-88.51
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=C[N-]N=CC1=O)CCC2	REAL300007324069	0	39	-2.0	-100.28	287.22	5.88	-94.40
COCC1=NC=C(C(=O)N2CCC[C@@]3(C(=O)[O-])CCCC[C@H]23)C(=O)[N-]1	REAL300007324092	1	46	-2.0	-110.88	342.61	4.35	-106.53
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCC2	REAL300007324135	1	49	-2.0	-115.14	361.01	7.33	-107.81
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCC2	REAL300007324376	0	41	-2.0	-129.35	331.21	9.42	-119.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC23CC(C(=O)[O-])C3)C=C1	REAL300007326750	1	47	-2.0	-131.80	388.95	10.95	-120.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)O1	REAL300007327111	1	48	-2.0	-101.39	391.11	4.70	-96.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)O1	REAL300007327112	1	39	-2.0	-100.67	337.49	2.17	-98.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC23CC(C(=O)[O-])C3)=CS1	REAL300007327610	1	46	-2.0	-123.04	379.30	6.27	-116.77
CC1=C(CC(=O)N2CCCC23CC(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007327804	1	48	-2.0	-126.73	389.32	6.41	-120.32
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007328674	1	38	-2.0	-131.49	323.09	8.09	-123.40
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C=N1	REAL300007328758	0	41	-2.0	-110.66	343.99	3.97	-106.69
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007328779	1	40	-2.0	-115.32	328.16	5.35	-109.97
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC34CC(C(=O)[O-])C4)=N2)=C1	REAL300007328830	0	51	-2.0	-145.01	405.69	9.70	-135.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC34CC(C(=O)[O-])C4)=N2)C=C1	REAL300007328831	0	51	-2.0	-144.25	405.62	9.70	-134.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC23CC(C(=O)[O-])C3)=N1	REAL300007328893	0	45	-2.0	-141.08	373.16	8.80	-132.28
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007328898	0	42	-2.0	-141.47	351.84	7.85	-133.62
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007328922	1	40	-2.0	-144.48	324.59	8.88	-135.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC34CC(C(=O)[O-])C4)=N2)=C1	REAL300007329046	0	45	-2.0	-149.86	370.17	8.43	-141.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC23CC(C(=O)[O-])C3)=N1	REAL300007329047	0	48	-2.0	-147.54	386.74	9.51	-138.03
CC1=C(CC(=O)N2CCCC23CC(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007329097	1	48	-2.0	-125.25	389.50	6.40	-118.85
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007329140	0	35	-2.0	-108.59	304.86	6.48	-102.11
COC1=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)NC(=O)[N-]C1=O	REAL300007329147	1	38	-2.0	-109.56	313.76	1.82	-107.74
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007329237	0	35	-2.0	-109.74	299.88	6.43	-103.31
CCOC1=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300007329240	1	42	-2.0	-111.67	349.73	7.45	-104.22
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC34CC(C(=O)[O-])C4)=N2)C=C1	REAL300007329248	0	46	-2.0	-143.84	374.91	7.08	-136.76
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC23CC(C(=O)[O-])C3)=CO1	REAL300007329262	1	39	-2.0	-102.52	334.36	1.77	-100.75
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007329390	0	38	-2.0	-98.30	320.03	5.48	-92.82
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007329390	1	38	-2.0	-98.29	320.10	5.49	-92.80
COCC1=NC=C(C(=O)N2CCCC23CC(C(=O)[O-])C3)C(=O)[N-]1	REAL300007329636	1	40	-2.0	-123.01	335.55	3.14	-119.87
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007329673	1	43	-2.0	-126.32	349.26	6.03	-120.29
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007329899	0	35	-2.0	-127.34	316.96	8.02	-119.32
O=C([O-])C[C@@H]1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)[C@H]2COC[C@@H]2O1	REAL300007330706	0	41	-2.0	-99.55	336.00	5.39	-94.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)O1	REAL300007331370	1	41	-2.0	-96.23	352.40	-0.62	-96.85
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=CS1	REAL300007331780	1	48	-2.0	-99.41	397.77	3.83	-95.58
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)[C@H]2COC[C@@H]2O1	REAL300007332814	1	37	-2.0	-94.17	306.62	3.34	-90.83
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])[C@H]2COC[C@@H]2O1	REAL300007332825	1	40	-2.0	-101.95	341.49	4.84	-97.11
O=C([O-])C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)[C@H]2COC[C@@H]2O1	REAL300007332861	0	37	-2.0	-89.53	306.70	1.81	-87.72
O=C([O-])C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300007332861	1	37	-2.0	-89.55	306.76	1.82	-87.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C=N1	REAL300007332925	0	43	-2.0	-96.95	361.58	1.21	-95.74
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)[C@H]2COC[C@@H]2O1	REAL300007332950	1	42	-2.0	-96.50	348.58	2.78	-93.72
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)[C@H]2COC[C@@H]2O1	REAL300007332984	1	36	-2.0	-91.98	297.18	1.48	-90.50
O=C([O-])C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])[C@H]2COC[C@@H]2O1	REAL300007333068	0	44	-2.0	-106.69	366.65	5.15	-101.54
O=C([O-])C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)[C@H]2COC[C@@H]2O1	REAL300007333100	1	42	-2.0	-108.67	340.29	6.28	-102.39
O=C([O-])C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)[C@H]2COC[C@@H]2O1	REAL300007333334	0	37	-2.0	-91.20	324.99	3.85	-87.35
COC1=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)NC(=O)[N-]C1=O	REAL300007333346	1	40	-2.0	-92.39	337.44	-2.09	-94.48
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2COC[C@@H]2O1	REAL300007333425	0	40	-2.0	-94.85	327.82	2.57	-92.28
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300007333425	1	40	-2.0	-94.82	327.88	2.58	-92.24
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)[C@H]2COC[C@@H]2O1	REAL300007333457	0	37	-2.0	-90.71	316.42	3.82	-86.89
CCOC1=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=CC(Cl)=C1[O-]	REAL300007333460	1	44	-2.0	-95.57	369.84	4.83	-90.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)=CO1	REAL300007333482	1	41	-2.0	-93.86	352.41	-0.78	-94.64
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2COC[C@@H]2O1	REAL300007333620	0	40	-2.0	-87.42	335.35	2.77	-84.65
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2COC[C@@H]2O1	REAL300007333620	1	40	-2.0	-87.40	335.42	2.78	-84.62
O=C([O-])C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)[C@H]2COC[C@@H]2O1	REAL300007333845	0	35	-2.0	-93.64	296.75	1.87	-91.77
COCC1=NC=C(C(=O)N2C[C@@H](CC(=O)[O-])O[C@H]3COC[C@@H]32)C(=O)[N-]1	REAL300007333868	1	42	-2.0	-94.30	346.18	0.30	-94.00
O=C([O-])C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)[C@H]2COC[C@@H]2O1	REAL300007333910	1	45	-2.0	-96.47	364.33	3.33	-93.14
O=C([O-])C[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@H]2COC[C@@H]2O1	REAL300007334145	0	37	-2.0	-97.48	334.21	5.32	-92.16
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2(CCC2)CO1	REAL300007334990	0	40	-2.0	-107.95	325.16	6.96	-100.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)O1	REAL300007335760	1	40	-2.0	-110.49	340.57	1.03	-109.46
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])OCC23CCC3)=CS1	REAL300007336226	1	47	-2.0	-95.11	385.85	5.44	-89.67
CC1=C(CC(=O)N2CC(C(=O)[O-])OCC23CCC3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007336409	1	49	-2.0	-105.08	395.46	5.70	-99.38
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C2(CCC2)CO1	REAL300007337298	1	36	-2.0	-97.59	295.14	4.80	-92.79
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2(CCC2)CO1	REAL300007337308	1	39	-2.0	-100.64	328.89	6.61	-94.03
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C=N1	REAL300007337392	0	42	-2.0	-108.26	351.91	3.00	-105.26
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2(CCC2)CO1	REAL300007337417	1	41	-2.0	-112.85	329.15	4.30	-108.55
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=N2)=C1	REAL300007337466	0	52	-2.0	-120.91	409.20	8.59	-112.32
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=N2)C=C1	REAL300007337467	0	52	-2.0	-116.92	409.12	8.59	-108.33
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=N1	REAL300007337533	0	46	-2.0	-111.30	375.92	7.81	-103.49
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2(CCC2)CO1	REAL300007337538	0	43	-2.0	-118.46	355.40	6.74	-111.72
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2(CCC2)CO1	REAL300007337567	1	41	-2.0	-113.21	328.82	7.64	-105.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=N2)=C1	REAL300007337700	0	46	-2.0	-119.82	373.78	7.33	-112.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=N1	REAL300007337701	0	49	-2.0	-117.53	389.17	8.48	-109.05
CC1=C(CC(=O)N2CC(C(=O)[O-])OCC23CCC3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007337759	1	49	-2.0	-103.49	395.64	5.70	-97.79
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2(CCC2)CO1	REAL300007337814	0	36	-2.0	-95.06	311.25	5.36	-89.70
COC1=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)NC(=O)[N-]C1=O	REAL300007337825	1	39	-2.0	-101.40	325.52	-0.61	-102.01
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300007337899	0	39	-2.0	-90.18	316.26	4.08	-86.10
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300007337899	1	39	-2.0	-90.23	316.31	4.09	-86.14
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2(CCC2)CO1	REAL300007337929	0	36	-2.0	-94.97	304.93	5.29	-89.68
CCOC1=CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=CC(Cl)=C1[O-]	REAL300007337933	1	43	-2.0	-101.30	355.99	6.32	-94.98
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC34CCC4)=N2)C=C1	REAL300007337939	0	47	-2.0	-116.79	378.51	5.98	-110.81
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])OCC23CCC3)=CO1	REAL300007337954	1	40	-2.0	-92.74	339.80	0.70	-92.04
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCC2)CO1	REAL300007338088	0	39	-2.0	-94.13	324.00	4.39	-89.74
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCC2)CO1	REAL300007338088	1	39	-2.0	-94.10	324.07	4.41	-89.69
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])OCC23CCC3)C(=O)[N-]1	REAL300007338344	1	41	-2.0	-110.01	332.51	1.85	-108.16
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2(CCC2)CO1	REAL300007338386	1	44	-2.0	-113.19	344.89	4.84	-108.35
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CCC2)CO1	REAL300007338624	0	36	-2.0	-97.48	320.84	6.89	-90.59
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300007340816	0	41	-2.0	-98.92	364.66	4.56	-94.36
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007341071	0	41	-2.0	-99.45	364.74	4.78	-94.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)O1	REAL300007341467	1	35	-2.0	-94.71	337.64	0.77	-93.94
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007341697	0	38	-2.0	-98.04	343.27	3.88	-94.16
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=CS1	REAL300007342016	1	42	-2.0	-96.94	379.41	5.17	-91.77
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300007342221	0	38	-2.0	-94.42	351.61	4.14	-90.28
O=C([O-])[C@@]1(CNC(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1C(F)(F)F	REAL300007343351	1	31	-2.0	-90.94	291.01	5.03	-85.91
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H]1C(F)(F)F	REAL300007343364	1	34	-2.0	-97.93	319.40	7.36	-90.57
O=C([O-])[C@@]1(CNC(=O)CCC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL300007343405	0	31	-2.0	-86.76	288.46	3.08	-83.68
O=C([O-])[C@@]1(CNC(=O)CCC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL300007343405	1	31	-2.0	-86.74	288.52	3.10	-83.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300007343492	0	37	-2.0	-97.89	346.25	3.10	-94.79
O=C([O-])[C@@]1(CNC(=O)C2=CN=CC([O-])=C2)C[C@@H]1C(F)(F)F	REAL300007343569	1	30	-2.0	-90.09	277.94	2.94	-87.15
O=C([O-])[C@@]1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H]1C(F)(F)F	REAL300007343683	0	38	-2.0	-115.00	353.90	5.73	-109.27
O=C([O-])[C@@]1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1C(F)(F)F	REAL300007343729	1	36	-2.0	-116.31	323.21	6.99	-109.32
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=N1	REAL300007343896	0	44	-2.0	-116.68	377.47	7.81	-108.87
O=C([O-])[C@@]1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1C(F)(F)F	REAL300007344031	0	31	-2.0	-88.42	307.01	5.57	-82.85
COC1=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)NC(=O)[N-]C1=O	REAL300007344049	1	34	-2.0	-89.69	311.22	0.48	-89.21
O=C([O-])[C@@]1(CNC(=O)CCCC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL300007344149	0	34	-2.0	-87.95	308.05	3.67	-84.28
O=C([O-])[C@@]1(CNC(=O)CCCC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL300007344149	1	34	-2.0	-87.94	308.11	3.69	-84.25
O=C([O-])[C@@]1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C[C@@H]1C(F)(F)F	REAL300007344189	0	31	-2.0	-88.52	300.81	5.50	-83.02
CCOC1=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=CC(Cl)=C1[O-]	REAL300007344192	1	38	-2.0	-93.66	351.86	6.55	-87.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=N2)C=C1	REAL300007344201	0	42	-2.0	-116.04	375.06	5.54	-110.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=CO1	REAL300007344225	1	35	-2.0	-86.86	334.88	0.56	-86.30
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C(F)(F)F	REAL300007344393	0	34	-2.0	-83.48	322.46	3.08	-80.40
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C(F)(F)F	REAL300007344393	1	34	-2.0	-83.49	322.53	3.08	-80.41
O=C([O-])[C@@]1(CNC(=O)C2=C[N-]N=CC2=O)C[C@@H]1C(F)(F)F	REAL300007344686	0	29	-2.0	-94.47	272.07	3.55	-90.92
COCC1=NC=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(=O)[N-]1	REAL300007344721	1	36	-2.0	-106.53	323.97	1.96	-104.57
O=C([O-])[C@@]1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H]1C(F)(F)F	REAL300007345091	0	31	-2.0	-95.87	313.47	7.39	-88.48
CC1=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(=O)NC(C2=CC=CO2)=N1	REAL300007345393	0	39	-2.0	-112.22	349.78	4.47	-107.75
CC1=C(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007345393	1	39	-2.0	-112.22	349.78	4.47	-107.75
CC1=C(CCC(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007345962	1	52	-2.0	-104.57	417.14	5.22	-99.35
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCO2)=C1	REAL300007346317	0	42	-2.0	-107.49	359.31	3.02	-104.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007346627	0	42	-2.0	-107.94	359.38	3.25	-104.69
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCCO2)C=C1	REAL300007346677	1	44	-2.0	-106.02	381.36	8.17	-97.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)O1	REAL300007347129	1	45	-2.0	-106.08	385.13	1.48	-104.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)O1	REAL300007347130	1	36	-2.0	-104.42	330.36	-0.96	-105.38
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCO2)=C1	REAL300007347361	0	46	-2.0	-121.87	394.30	1.25	-120.62
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007347407	0	39	-2.0	-106.57	337.91	2.36	-104.21
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCCO2)=CS1	REAL300007347779	1	43	-2.0	-103.53	372.11	3.46	-100.07
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007348016	0	39	-2.0	-101.90	344.33	2.42	-99.48
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007348019	1	45	-2.0	-108.89	382.55	3.64	-105.25
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007348022	0	45	-2.0	-108.51	380.88	4.03	-104.48
CC1=C(C(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007348093	1	45	-2.0	-120.81	362.27	3.82	-116.99
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CCCO1	REAL300007348857	0	45	-2.0	-110.41	383.80	4.60	-105.81
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCO1	REAL300007349051	1	35	-2.0	-106.16	314.06	5.83	-100.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C=N1	REAL300007349152	0	38	-2.0	-106.85	338.96	1.38	-105.47
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCO1	REAL300007349182	1	37	-2.0	-118.40	316.77	2.78	-115.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCO3)=N2)=C1	REAL300007349236	0	48	-2.0	-128.03	398.90	6.43	-121.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCO3)=N2)C=C1	REAL300007349237	0	48	-2.0	-124.92	398.49	6.42	-118.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCO2)=N1	REAL300007349315	0	42	-2.0	-119.17	360.62	5.50	-113.67
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCO1	REAL300007349320	0	39	-2.0	-120.35	345.05	4.58	-115.77
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCO1	REAL300007349346	1	37	-2.0	-125.30	317.87	5.45	-119.85
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCO1	REAL300007349366	0	39	-2.0	-89.53	360.52	2.67	-86.86
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CCCO1	REAL300007349415	0	31	-2.0	-94.62	299.42	2.39	-92.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCO3)=N2)=C1	REAL300007349480	0	42	-2.0	-128.51	363.05	5.15	-123.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCO2)=N1	REAL300007349481	0	45	-2.0	-127.17	379.56	6.23	-120.94
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007349541	1	45	-2.0	-107.05	382.73	3.63	-103.42
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCO1	REAL300007349586	0	32	-2.0	-95.93	299.88	3.84	-92.09
COC1=C(C(=O)NCC2(C(=O)[O-])CCCO2)NC(=O)[N-]C1=O	REAL300007349594	1	35	-2.0	-98.86	305.88	-1.08	-99.94
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=CC(Cl)=C1[O-]	REAL300007349700	1	39	-2.0	-101.26	344.72	4.82	-96.44
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCO1	REAL300007349704	0	42	-2.0	-133.27	368.20	5.94	-127.33
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCO3)=N2)C=C1	REAL300007349712	0	43	-2.0	-124.62	367.78	3.80	-120.82
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCCO2)=CO1	REAL300007349732	1	36	-2.0	-94.48	329.49	-0.98	-95.46
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300007349863	0	35	-2.0	-93.44	313.26	1.91	-91.53
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300007349863	1	35	-2.0	-93.39	313.33	1.92	-91.47
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]1	REAL300007350140	1	37	-2.0	-116.76	318.62	0.43	-116.33
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCO1	REAL300007350181	1	40	-2.0	-118.62	332.53	3.33	-115.29
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCO1	REAL300007350441	0	32	-2.0	-104.29	308.27	5.88	-98.41
CC1=C(C(=O)NCC2(C(=O)[O-])CCCO2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007350701	0	40	-2.0	-123.45	342.93	2.94	-120.51
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=C1	REAL300007351727	0	41	-2.0	-107.03	358.14	4.26	-102.77
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NO2	REAL300007352028	0	41	-2.0	-107.53	358.13	4.46	-103.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C=C1	REAL300007352074	1	43	-2.0	-110.38	379.04	9.87	-100.51
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)O1	REAL300007352496	1	44	-2.0	-120.94	378.46	3.35	-117.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)O1	REAL300007352497	1	35	-2.0	-121.16	324.38	0.73	-120.43
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NO2	REAL300007352759	0	38	-2.0	-106.26	336.73	3.56	-102.70
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=CS1	REAL300007353104	1	42	-2.0	-99.06	369.32	5.17	-93.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NO2	REAL300007353336	0	38	-2.0	-103.44	343.15	3.65	-99.79
CC1=C(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007353338	1	44	-2.0	-110.05	379.35	5.35	-104.70
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NO2	REAL300007353341	0	44	-2.0	-108.04	379.69	5.24	-102.80
CC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007353424	1	44	-2.0	-115.69	368.90	4.93	-110.76
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300007354490	1	31	-2.0	-105.89	279.12	4.60	-101.29
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300007354502	1	34	-2.0	-103.31	312.77	6.16	-97.15
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C=N1	REAL300007354609	0	37	-2.0	-106.50	334.15	2.69	-103.81
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300007354644	1	36	-2.0	-113.34	320.14	4.12	-109.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)=N2)=C1	REAL300007354703	0	47	-2.0	-120.94	391.07	8.33	-112.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)=N2)C=C1	REAL300007354704	0	47	-2.0	-117.67	391.77	8.35	-109.32
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=N1	REAL300007354800	0	41	-2.0	-111.23	360.11	7.49	-103.74
O=C([O-])C1=NOC2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300007354805	0	38	-2.0	-110.77	337.88	6.49	-104.28
O=C([O-])C1=NOC2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300007354847	1	36	-2.0	-112.85	312.16	7.64	-105.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)=N2)=C1	REAL300007355013	0	41	-2.0	-117.53	353.59	7.01	-110.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=N1	REAL300007355014	0	44	-2.0	-115.95	372.75	8.12	-107.83
CC1=C(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007355091	1	44	-2.0	-108.60	379.53	5.36	-103.24
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300007355153	0	31	-2.0	-103.11	295.11	5.16	-97.95
COC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)NC(=O)[N-]C1=O	REAL300007355170	1	34	-2.0	-110.87	309.45	-0.82	-111.69
O=C([O-])C1=NOC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300007355272	0	34	-2.0	-94.72	299.98	3.86	-90.86
O=C([O-])C1=NOC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300007355272	1	34	-2.0	-94.75	300.03	3.87	-90.88
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300007355309	0	31	-2.0	-102.78	288.91	5.09	-97.69
CCOC1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=CC(Cl)=C1[O-]	REAL300007355313	1	38	-2.0	-106.55	340.16	6.13	-100.42
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NO4)=N2)C=C1	REAL300007355323	0	42	-2.0	-117.62	361.07	5.74	-111.88
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)=CO1	REAL300007355347	1	35	-2.0	-115.12	323.36	0.46	-114.66
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300007355516	0	34	-2.0	-100.98	307.33	4.13	-96.85
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300007355516	1	34	-2.0	-100.96	307.39	4.14	-96.82
COCC1=NC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NO3)C(=O)[N-]1	REAL300007355851	1	36	-2.0	-111.91	322.24	1.69	-110.22
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300007355899	1	39	-2.0	-116.82	328.26	4.54	-112.28
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300007356226	0	31	-2.0	-101.57	306.13	6.63	-94.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)O1	REAL300007358804	1	41	-2.0	-100.24	363.70	-0.65	-100.89
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=C(C(=O)[O-])N=CO2)C1	REAL300007358991	0	44	-2.0	-126.87	376.30	2.14	-124.73
CC1=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007359518	1	50	-2.0	-129.39	406.91	3.49	-125.90
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)OC=N1	REAL300007360501	1	37	-2.0	-107.12	319.81	3.22	-103.90
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)OC=N1	REAL300007360514	1	40	-2.0	-129.40	349.81	5.36	-124.04
O=C([O-])C1=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)OC=N1	REAL300007360570	0	37	-2.0	-105.04	317.45	1.68	-103.36
O=C([O-])C1=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)OC=N1	REAL300007360570	1	37	-2.0	-105.04	317.40	1.66	-103.38
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C=N1	REAL300007360645	0	43	-2.0	-123.38	375.51	1.36	-122.02
O=C([O-])C1=C(C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)OC=N1	REAL300007360676	1	42	-2.0	-127.39	359.16	2.71	-124.68
O=C([O-])C1=C(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)OC=N1	REAL300007360714	1	36	-2.0	-102.80	309.15	1.40	-101.40
O=C([O-])C1=C(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)OC=N1	REAL300007360871	1	42	-2.0	-131.67	353.74	5.63	-126.04
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)OC=N1	REAL300007361158	0	37	-2.0	-104.96	336.42	3.81	-101.15
COC1=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)NC(=O)[N-]C1=O	REAL300007361177	1	40	-2.0	-104.65	348.07	-2.25	-106.90
O=C([O-])C1=C(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)OC=N1	REAL300007361273	0	40	-2.0	-116.06	338.92	2.44	-113.62
O=C([O-])C1=C(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)OC=N1	REAL300007361273	1	40	-2.0	-116.05	338.86	2.43	-113.62
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)OC=N1	REAL300007361308	0	37	-2.0	-104.72	329.61	3.71	-101.01
CCOC1=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=CC(Cl)=C1[O-]	REAL300007361311	1	44	-2.0	-108.73	381.26	4.79	-103.94
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)=CO1	REAL300007361344	1	41	-2.0	-115.03	363.18	-0.90	-115.93
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)OC=N1	REAL300007361503	0	40	-2.0	-103.91	346.67	2.70	-101.21
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)OC=N1	REAL300007361503	1	40	-2.0	-103.91	346.61	2.69	-101.22
O=C([O-])C1=C(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)OC=N1	REAL300007361777	0	35	-2.0	-99.92	301.32	1.68	-98.24
COCC1=NC=C(C(=O)N2CCCC(C3=C(C(=O)[O-])N=CO3)C2)C(=O)[N-]1	REAL300007361810	1	42	-2.0	-114.10	353.56	0.16	-113.94
O=C([O-])C1=C(C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)OC=N1	REAL300007361857	1	45	-2.0	-115.06	367.31	3.13	-111.93
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)OC=N1	REAL300007362155	0	37	-2.0	-123.82	343.89	5.40	-118.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C=C1	REAL300007363971	1	47	-2.0	-103.17	388.96	9.82	-93.35
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007364328	1	48	-2.0	-110.09	389.81	3.26	-106.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)O1	REAL300007364329	1	39	-2.0	-109.54	334.84	0.69	-108.85
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])OCC2(C)C)=CS1	REAL300007364816	1	46	-2.0	-94.55	379.86	5.19	-89.36
CC1=C(CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007365012	1	48	-2.0	-106.57	389.60	5.36	-101.21
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007365889	1	38	-2.0	-97.19	319.42	6.70	-90.49
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007365975	0	41	-2.0	-108.04	344.24	2.61	-105.43
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007365997	1	40	-2.0	-111.19	323.40	3.95	-107.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=N2)=C1	REAL300007366049	0	51	-2.0	-119.44	402.18	8.31	-111.13
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=N2)C=C1	REAL300007366050	0	51	-2.0	-115.57	402.09	8.31	-107.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=N1	REAL300007366112	0	45	-2.0	-111.35	368.78	7.07	-104.28
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007366117	0	42	-2.0	-108.89	348.31	6.46	-102.43
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007366142	1	40	-2.0	-114.43	325.21	6.94	-107.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=N2)=C1	REAL300007366272	0	45	-2.0	-117.69	366.66	7.04	-110.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=N1	REAL300007366273	0	48	-2.0	-116.65	383.27	8.10	-108.55
CC1=C(CC(=O)N2CC(C(=O)[O-])OCC2(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007366323	1	48	-2.0	-105.09	389.79	5.34	-99.75
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007366368	0	35	-2.0	-96.45	305.05	5.15	-91.30
COC1=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)NC(=O)[N-]C1=O	REAL300007366375	1	38	-2.0	-101.47	319.06	-0.85	-102.32
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007366469	0	35	-2.0	-94.68	298.50	5.09	-89.59
CCOC1=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=CC(Cl)=C1[O-]	REAL300007366472	1	42	-2.0	-101.30	349.90	6.12	-95.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])OCC3(C)C)=N2)C=C1	REAL300007366480	0	46	-2.0	-115.52	371.37	5.69	-109.83
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])OCC2(C)C)=CO1	REAL300007366494	1	39	-2.0	-93.33	333.92	0.53	-92.80
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007366621	0	38	-2.0	-93.12	317.91	4.14	-88.98
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007366621	1	38	-2.0	-93.06	317.98	4.15	-88.91
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])OCC2(C)C)C(=O)[N-]1	REAL300007366863	1	40	-2.0	-109.73	322.46	1.65	-108.08
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007366900	1	43	-2.0	-111.41	339.16	4.50	-106.91
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007367131	0	35	-2.0	-95.80	313.47	6.74	-89.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300007368540	0	46	-2.0	-96.71	385.41	3.19	-93.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007368829	0	46	-2.0	-97.57	385.49	3.40	-94.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)O1	REAL300007369273	1	40	-2.0	-87.84	356.46	-0.79	-88.63
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007369528	0	43	-2.0	-96.30	364.02	2.51	-93.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300007369865	1	47	-2.0	-96.90	398.23	3.63	-93.27
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007370089	0	43	-2.0	-90.72	370.88	2.58	-88.14
CC1=C(CC(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007370091	1	49	-2.0	-100.88	408.15	3.78	-97.10
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007370094	0	49	-2.0	-98.07	406.99	4.19	-93.88
CC1=C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007370175	1	49	-2.0	-91.32	388.11	4.00	-87.32
O=C([O-])C12CCC(CNC(=O)C3=CC=C([O-])C(F)=C3)(C1)OC2	REAL300007371220	1	36	-2.0	-89.74	309.85	3.45	-86.29
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)OC2	REAL300007371232	1	39	-2.0	-96.30	340.18	6.01	-90.29
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C=N1	REAL300007371340	0	42	-2.0	-91.99	365.07	1.54	-90.45
O=C([O-])C12CCC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)OC2	REAL300007371376	1	41	-2.0	-90.14	342.89	2.95	-87.19
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC34CCC(C(=O)[O-])(CO3)C4)=N2)=C1	REAL300007371433	0	52	-2.0	-107.99	424.69	6.60	-101.39
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC34CCC(C(=O)[O-])(CO3)C4)=N2)C=C1	REAL300007371434	0	52	-2.0	-106.77	424.62	6.60	-100.17
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=N1	REAL300007371528	0	46	-2.0	-103.87	392.17	5.71	-98.16
O=C([O-])C12CCC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(C1)OC2	REAL300007371533	0	43	-2.0	-105.03	370.83	4.75	-100.28
O=C([O-])C12CCC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)OC2	REAL300007371574	1	41	-2.0	-105.92	343.97	5.61	-100.31
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC34CCC(C(=O)[O-])(CO3)C4)=N2)=C1	REAL300007371737	0	46	-2.0	-111.04	389.18	5.33	-105.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=N1	REAL300007371738	0	49	-2.0	-108.35	398.69	6.48	-101.87
CC1=C(CC(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007371815	1	49	-2.0	-99.59	408.34	3.77	-95.82
O=C([O-])C12CCC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)OC2	REAL300007371877	0	36	-2.0	-87.05	325.85	4.01	-83.04
COC1=C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)NC(=O)[N-]C1=O	REAL300007371894	1	39	-2.0	-89.69	332.00	-0.90	-90.59
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007371993	0	39	-2.0	-93.52	328.78	2.30	-91.22
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300007371993	1	39	-2.0	-93.53	328.84	2.32	-91.21
O=C([O-])C12CCC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(C1)OC2	REAL300007372030	0	36	-2.0	-86.44	319.65	3.95	-82.49
CCOC1=CC(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=CC(Cl)=C1[O-]	REAL300007372034	1	43	-2.0	-90.85	370.70	4.98	-85.87
COC1=CC=C(N2C=C([O-])C(C(=O)NCC34CCC(C(=O)[O-])(CO3)C4)=N2)C=C1	REAL300007372044	0	47	-2.0	-106.89	393.90	3.98	-102.91
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)=CO1	REAL300007372068	1	40	-2.0	-92.69	355.62	-0.80	-93.49
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC2	REAL300007372231	0	39	-2.0	-82.85	339.37	2.10	-80.75
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC2	REAL300007372231	1	39	-2.0	-82.77	339.44	2.10	-80.67
COCC1=NC=C(C(=O)NCC23CCC(C(=O)[O-])(CO2)C3)C(=O)[N-]1	REAL300007372564	1	41	-2.0	-89.47	344.73	0.60	-88.87
O=C([O-])C12CCC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)OC2	REAL300007372612	1	44	-2.0	-90.25	358.64	3.49	-86.76
O=C([O-])C12CCC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)OC2	REAL300007372931	0	36	-2.0	-92.65	334.25	6.04	-86.61
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300007374099	0	49	-2.0	-100.22	395.66	3.83	-96.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007374347	0	49	-2.0	-101.05	395.73	4.07	-96.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300007374731	1	43	-2.0	-92.47	365.98	-0.18	-92.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007374947	0	46	-2.0	-99.73	374.27	3.17	-96.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=CS1	REAL300007375259	1	50	-2.0	-101.80	408.44	4.27	-97.53
CC1=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007375543	1	52	-2.0	-93.56	397.56	4.64	-88.92
O=C([O-])C12COC(CNC(=O)C3=CC=C([O-])C(F)=C3)(C1)CCC2	REAL300007376569	1	39	-2.0	-91.39	320.08	4.08	-87.31
O=C([O-])C12COC(CNC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])(C1)CCC2	REAL300007376582	1	42	-2.0	-100.21	350.42	6.65	-93.56
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007376624	0	39	-2.0	-88.76	316.60	2.15	-86.61
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007376624	1	39	-2.0	-88.78	316.66	2.17	-86.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C=N1	REAL300007376707	0	45	-2.0	-93.65	374.12	2.18	-91.47
O=C([O-])C12COC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)(C1)CCC2	REAL300007376742	1	44	-2.0	-92.67	353.13	3.60	-89.07
O=C([O-])C12COC(CNC(=O)C3=CN=CC([O-])=C3)(C1)CCC2	REAL300007376784	1	38	-2.0	-93.25	308.92	2.22	-91.03
O=C([O-])C12COC(CNC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])(C1)CCC2	REAL300007376897	0	46	-2.0	-108.73	380.30	5.36	-103.37
O=C([O-])C12COC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)(C1)CCC2	REAL300007376943	1	44	-2.0	-109.91	353.46	6.23	-103.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=N1	REAL300007377102	0	52	-2.0	-112.27	408.16	7.08	-105.19
O=C([O-])C12COC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)(C1)CCC2	REAL300007377234	0	39	-2.0	-88.60	335.29	4.62	-83.98
COC1=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)NC(=O)[N-]C1=O	REAL300007377252	1	42	-2.0	-91.47	342.06	-0.25	-91.72
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377351	0	42	-2.0	-96.52	338.10	2.93	-93.59
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300007377351	1	42	-2.0	-96.60	338.16	2.95	-93.65
O=C([O-])C12COC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)(C1)CCC2	REAL300007377389	0	39	-2.0	-88.30	329.87	4.58	-83.72
CCOC1=CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=CC(Cl)=C1[O-]	REAL300007377392	1	46	-2.0	-92.49	379.73	5.60	-86.89
C[N-]S(=O)(=O)C1=CC(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)=CO1	REAL300007377424	1	43	-2.0	-94.75	365.85	-0.17	-94.92
O=C([O-])C12COC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)CCC2	REAL300007377590	0	42	-2.0	-84.45	349.62	2.74	-81.71
O=C([O-])C12COC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)CCC2	REAL300007377590	1	42	-2.0	-84.42	349.69	2.75	-81.67
O=C([O-])C12COC(CNC(=O)C3=C[N-]N=CC3=O)(C1)CCC2	REAL300007377878	0	37	-2.0	-84.02	301.13	2.66	-81.36
COCC1=NC=C(C(=O)NCC23CC(C(=O)[O-])(CO2)CCC3)C(=O)[N-]1	REAL300007377913	1	44	-2.0	-95.27	354.25	1.22	-94.05
O=C([O-])C12COC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)(C1)CCC2	REAL300007377962	1	47	-2.0	-92.74	368.89	4.16	-88.58
O=C([O-])C12COC(CNC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)CCC2	REAL300007378282	0	39	-2.0	-96.57	343.75	6.66	-89.91
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2CC(CC(=O)[O-])CO2)=C1	REAL300007379502	0	45	-2.0	-99.33	379.72	2.85	-96.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007379811	0	45	-2.0	-100.35	379.79	3.08	-97.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2CC(CC(=O)[O-])CO2)C=C1	REAL300007379858	1	47	-2.0	-109.36	402.15	8.00	-101.36
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)O1	REAL300007380294	1	48	-2.0	-91.55	405.09	1.52	-90.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)O1	REAL300007380295	1	39	-2.0	-90.90	350.78	-1.11	-92.01
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007380568	0	42	-2.0	-98.94	358.33	2.18	-96.76
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2CC(CC(=O)[O-])CO2)=CS1	REAL300007380919	1	46	-2.0	-97.86	392.51	3.28	-94.58
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007381157	0	42	-2.0	-93.33	364.74	2.24	-91.09
CC1=C(CC(=O)NCC2CC(CC(=O)[O-])CO2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007381160	1	48	-2.0	-101.92	403.37	3.49	-98.43
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1CC(CC(=O)[O-])CO1	REAL300007381163	0	48	-2.0	-100.84	401.29	3.87	-96.97
CC1=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007381244	1	48	-2.0	-95.51	383.11	3.79	-91.72
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007382277	1	38	-2.0	-97.24	335.16	5.77	-91.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C=N1	REAL300007382385	0	41	-2.0	-94.85	359.38	1.21	-93.64
O=C([O-])CC1COC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300007382419	1	40	-2.0	-94.11	337.19	2.61	-91.50
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])CO3)=N2)=C1	REAL300007382478	0	51	-2.0	-110.33	419.67	6.38	-103.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])CO3)=N2)C=C1	REAL300007382479	0	51	-2.0	-110.41	418.91	6.25	-104.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2CC(CC(=O)[O-])CO2)=N1	REAL300007382570	0	45	-2.0	-106.60	381.04	5.33	-101.27
O=C([O-])CC1COC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007382575	0	42	-2.0	-106.83	365.82	4.52	-102.31
O=C([O-])CC1COC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007382607	1	40	-2.0	-109.33	338.28	5.29	-104.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])CO3)=N2)=C1	REAL300007382766	0	45	-2.0	-113.16	384.16	5.11	-108.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2CC(CC(=O)[O-])CO2)=N1	REAL300007382767	0	48	-2.0	-111.95	392.99	6.13	-105.82
CC1=C(CC(=O)NCC2CC(CC(=O)[O-])CO2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007382838	1	48	-2.0	-100.36	402.64	3.43	-96.93
O=C([O-])CC1COC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007382890	0	35	-2.0	-88.65	320.84	3.77	-84.88
COC1=C(C(=O)NCC2CC(CC(=O)[O-])CO2)NC(=O)[N-]C1=O	REAL300007382903	1	38	-2.0	-91.90	326.30	-1.24	-93.14
O=C([O-])CC1COC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300007383032	0	35	-2.0	-88.85	313.94	3.62	-85.23
CCOC1=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=CC(Cl)=C1[O-]	REAL300007383035	1	42	-2.0	-93.24	364.99	4.65	-88.59
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3CC(CC(=O)[O-])CO3)=N2)C=C1	REAL300007383047	0	46	-2.0	-110.41	388.19	3.64	-106.77
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2CC(CC(=O)[O-])CO2)=CO1	REAL300007383070	1	39	-2.0	-93.08	350.61	-1.03	-94.11
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007383226	0	38	-2.0	-85.14	333.68	1.77	-83.37
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007383226	1	38	-2.0	-85.13	333.75	1.77	-83.36
COCC1=NC=C(C(=O)NCC2CC(CC(=O)[O-])CO2)C(=O)[N-]1	REAL300007383543	1	40	-2.0	-93.59	339.73	0.39	-93.20
O=C([O-])CC1COC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007383587	1	43	-2.0	-94.11	352.94	3.16	-90.95
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300007385951	1	42	-2.0	-92.23	381.07	3.42	-88.81
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300007386141	0	45	-2.0	-100.91	392.23	6.17	-94.74
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007387683	1	41	-2.0	-95.96	366.68	8.88	-87.08
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=N[N-]N=N1	REAL300007387739	0	38	-2.0	-104.12	334.29	5.65	-98.47
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=NN=N[N-]1	REAL300007387739	1	38	-2.0	-104.11	334.35	5.67	-98.44
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300007387819	0	44	-2.0	-95.85	389.44	5.31	-90.54
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CN=CC([O-])=C1	REAL300007387889	1	37	-2.0	-116.70	320.84	5.21	-111.49
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007388001	0	45	-2.0	-108.16	394.23	9.10	-99.06
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCCC1=N[N-]N=N1	REAL300007388450	0	41	-2.0	-116.61	355.78	6.43	-110.18
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCCC1=NN=N[N-]1	REAL300007388450	1	41	-2.0	-116.63	355.84	6.45	-110.18
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007388485	0	38	-2.0	-90.46	344.18	7.68	-82.78
CCOC1=CC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300007388489	1	45	-2.0	-95.00	395.23	8.74	-86.26
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)=CO1	REAL300007388522	1	42	-2.0	-116.04	376.97	3.06	-112.98
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007388682	0	41	-2.0	-86.70	363.69	6.83	-79.87
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007388682	1	41	-2.0	-86.68	363.76	6.84	-79.84
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=C[N-]N=CC1=O	REAL300007388959	0	36	-2.0	-87.90	323.69	5.73	-82.17
COCC1=NC=C(C(=O)N(C)CC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]1	REAL300007388992	1	43	-2.0	-96.18	377.70	4.28	-91.90
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007389040	1	46	-2.0	-102.79	392.85	7.21	-95.58
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=C(OC)C=C3C(C(=O)[O-])C2)O1	REAL300007391754	1	43	-2.0	-99.80	372.13	3.32	-96.48
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COC1=CC=C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC(C(=O)[O-])C2=C1	REAL300007393242	1	39	-2.0	-103.62	329.73	6.22	-97.40
COC1=CC=C2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC(C(=O)[O-])C2=C1	REAL300007393257	1	42	-2.0	-116.54	360.75	8.04	-108.50
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COC1=CC=C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC(C(=O)[O-])C2=C1	REAL300007393576	1	44	-2.0	-147.20	362.19	9.35	-137.85
COC1=CC=C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC(C(=O)[O-])C2=C1	REAL300007393847	0	39	-2.0	-106.11	342.46	7.63	-98.48
COC1=CC=C2CN(C(=O)C3=C(OC)C(=O)[N-]C(=O)N3)CC(C(=O)[O-])C2=C1	REAL300007393866	1	42	-2.0	-105.03	360.18	0.87	-104.16
COC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC(C(=O)[O-])C2=C1	REAL300007393957	0	42	-2.0	-117.35	347.52	6.23	-111.12
COC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC(C(=O)[O-])C2=C1	REAL300007393957	1	42	-2.0	-117.32	347.57	6.24	-111.08
COC1=CC=C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC(C(=O)[O-])C2=C1	REAL300007393989	0	39	-2.0	-100.45	339.52	6.69	-93.76
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC=C(OC)C=C3C(C(=O)[O-])C2)=CO1	REAL300007394019	1	43	-2.0	-102.11	372.54	2.33	-99.78
COC1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC(C(=O)[O-])C2=C1	REAL300007394157	0	42	-2.0	-97.99	357.72	5.85	-92.14
COC1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC(C(=O)[O-])C2=C1	REAL300007394157	1	42	-2.0	-97.99	357.78	5.85	-92.14
COC1=CC=C2CN(C(=O)C3=C[N-]N=CC3=O)CC(C(=O)[O-])C2=C1	REAL300007394397	0	37	-2.0	-120.73	315.99	5.67	-115.06
COCC1=NC=C(C(=O)N2CC3=CC=C(OC)C=C3C(C(=O)[O-])C2)C(=O)[N-]1	REAL300007394428	1	44	-2.0	-112.88	365.54	3.33	-109.55
COC1=CC=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC(C(=O)[O-])C2=C1	REAL300007394469	1	47	-2.0	-138.14	387.07	6.38	-131.76
COC1=CC=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC(C(=O)[O-])C2=C1	REAL300007394740	0	39	-2.0	-111.92	354.81	8.09	-103.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)O1	REAL300007397150	1	39	-2.0	-90.02	364.53	3.11	-86.91
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O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=CC=C21	REAL300007398911	1	38	-2.0	-100.15	348.24	9.77	-90.38
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300007398964	0	35	-2.0	-89.13	315.37	5.41	-83.72
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300007398964	1	35	-2.0	-89.12	315.42	5.42	-83.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C=N1	REAL300007399045	0	41	-2.0	-94.64	373.14	5.44	-89.20
O=C([O-])CN1C=CC2=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=CC=C21	REAL300007399076	1	40	-2.0	-95.40	351.35	6.84	-88.56
O=C([O-])CN1C=CC2=C(NC(=O)C3=CN=CC([O-])=C3)C=CC=C21	REAL300007399116	1	34	-2.0	-93.39	306.13	5.49	-87.90
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O=C([O-])CN1C=CC2=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=CC=C21	REAL300007399562	0	35	-2.0	-88.94	333.91	7.89	-81.05
O=C([O-])CN1C=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL300007399678	0	38	-2.0	-96.73	336.86	6.19	-90.54
O=C([O-])CN1C=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL300007399678	1	38	-2.0	-96.75	336.92	6.20	-90.55
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=CC=C21	REAL300007399714	0	35	-2.0	-89.84	327.09	7.85	-81.99
CCOC1=CC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)=CC(Cl)=C1[O-]	REAL300007399717	1	42	-2.0	-92.98	378.75	8.87	-84.11
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)=CO1	REAL300007399750	1	39	-2.0	-94.86	363.69	3.09	-91.77
O=C([O-])CN1C=CC2=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)C=CC=C21	REAL300007399840	0	43	-2.0	-97.99	375.52	11.78	-86.21
O=C([O-])CN1C=CC2=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)C=CC=C21	REAL300007399840	1	43	-2.0	-97.97	375.46	11.77	-86.20
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=CC=C21	REAL300007399913	0	38	-2.0	-85.03	347.44	5.97	-79.06
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=CC=C21	REAL300007399913	1	38	-2.0	-84.98	347.50	5.98	-79.00
O=C([O-])CN1C=CC2=C(NC(=O)C3=C[N-]N=CC3=O)C=CC=C21	REAL300007400195	0	33	-2.0	-86.84	298.35	5.90	-80.94
COCC1=NC=C(C(=O)NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C(=O)[N-]1	REAL300007400229	1	40	-2.0	-95.15	352.30	4.53	-90.62
O=C([O-])CN1C=CC2=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=CC=C21	REAL300007400277	1	43	-2.0	-95.38	367.10	7.39	-87.99
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=CC=C21	REAL300007400583	0	35	-2.0	-99.97	342.31	9.81	-90.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)O1	REAL300007402396	1	41	-2.0	-109.91	346.41	3.05	-106.86
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])C(F)(F)CC1	REAL300007402589	0	44	-2.0	-108.58	362.52	5.79	-102.79
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CCOC1=CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)=CC(Cl)=C1[O-]	REAL300007404975	1	44	-2.0	-96.22	366.21	8.40	-87.82
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)=CO1	REAL300007405008	1	41	-2.0	-95.28	345.33	2.01	-93.27
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O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL300007405170	1	40	-2.0	-93.92	328.79	6.76	-87.16
O=C([O-])CC1CCN(C(=O)C2=C[N-]N=CC2=O)CCC1(F)F	REAL300007405450	0	35	-2.0	-97.71	292.60	5.33	-92.38
COCC1=NC=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C(=O)[N-]1	REAL300007405483	1	42	-2.0	-107.96	346.31	3.91	-104.05
O=C([O-])CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1(F)F	REAL300007405836	0	37	-2.0	-94.47	326.23	7.78	-86.69
CC1=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300007406140	0	45	-2.0	-122.60	370.32	5.71	-116.89
CC1=C(C(=O)N2CCC(CC(=O)[O-])C(F)(F)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007406140	1	45	-2.0	-122.60	370.32	5.71	-116.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)O1	REAL300007407561	1	42	-2.0	-119.51	366.75	3.87	-115.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=CC(CC(=O)[O-])=C2C1	REAL300007407753	0	45	-2.0	-103.86	377.91	6.64	-97.22
CC1=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007408305	1	51	-2.0	-110.07	409.35	8.12	-101.95
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300007409306	1	38	-2.0	-102.92	322.50	7.71	-95.21
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300007409319	1	41	-2.0	-102.29	353.76	9.70	-92.59
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300007409373	0	38	-2.0	-96.05	320.28	6.14	-89.91
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300007409373	1	38	-2.0	-96.05	320.34	6.16	-89.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C=N1	REAL300007409454	0	44	-2.0	-117.41	376.40	5.66	-111.75
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300007409485	1	43	-2.0	-122.98	355.31	7.04	-115.94
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300007409525	1	37	-2.0	-101.58	309.78	5.69	-95.89
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300007409640	0	45	-2.0	-113.11	378.90	9.54	-103.57
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300007409686	1	43	-2.0	-117.56	354.09	10.70	-106.86
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300007409973	0	38	-2.0	-103.46	337.22	8.20	-95.26
COC1=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)NC(=O)[N-]C1=O	REAL300007409991	1	41	-2.0	-95.83	350.79	2.22	-93.61
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300007410089	0	41	-2.0	-107.60	341.78	6.92	-100.68
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300007410089	1	41	-2.0	-107.64	341.84	6.94	-100.70
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300007410125	0	38	-2.0	-100.50	332.29	8.19	-92.31
CCOC1=CC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)=CC(Cl)=C1[O-]	REAL300007410129	1	45	-2.0	-107.91	382.12	9.16	-98.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)=CO1	REAL300007410162	1	42	-2.0	-94.10	365.77	3.53	-90.57
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300007410325	0	41	-2.0	-99.47	349.53	7.22	-92.25
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300007410325	1	41	-2.0	-99.43	349.60	7.23	-92.20
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300007410607	0	36	-2.0	-107.70	302.40	6.14	-101.56
COCC1=NC=C(C(=O)N2CCC3=CC=CC(CC(=O)[O-])=C3C2)C(=O)[N-]1	REAL300007410641	1	43	-2.0	-120.64	357.16	4.70	-115.94
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300007410689	1	46	-2.0	-123.10	370.28	7.64	-115.46
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300007410994	0	38	-2.0	-101.11	348.51	9.60	-91.51
CC1=C(CCC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007412324	1	49	-2.0	-96.51	407.10	5.98	-90.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=C1	REAL300007412678	0	39	-2.0	-95.54	349.24	3.78	-91.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007412989	0	39	-2.0	-96.31	348.67	3.98	-92.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C=C1	REAL300007413039	1	41	-2.0	-101.31	370.67	9.04	-92.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)O1	REAL300007413487	1	42	-2.0	-88.91	373.60	2.37	-86.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)O1	REAL300007413488	1	33	-2.0	-88.81	319.97	-0.17	-88.98
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007413761	0	36	-2.0	-94.97	327.21	3.08	-91.89
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=CS1	REAL300007414132	1	40	-2.0	-96.58	362.07	4.21	-92.37
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007414369	0	36	-2.0	-89.70	333.92	3.19	-86.51
CC1=C(CC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007414372	1	42	-2.0	-101.02	371.31	4.47	-96.55
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007414375	0	42	-2.0	-96.71	370.50	4.82	-91.89
CC1=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007414448	1	42	-2.0	-101.78	350.46	4.66	-97.12
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL300007415228	0	42	-2.0	-99.21	373.07	5.48	-93.73
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CS1	REAL300007415422	1	32	-2.0	-94.92	303.65	6.59	-88.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C=N1	REAL300007415521	0	35	-2.0	-92.39	328.17	2.12	-90.27
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CS1	REAL300007415551	1	34	-2.0	-91.83	306.47	3.57	-88.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=N2)=C1	REAL300007415606	0	45	-2.0	-107.61	388.44	7.18	-100.43
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300007415607	0	45	-2.0	-106.14	387.77	7.30	-98.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=N1	REAL300007415689	0	39	-2.0	-103.28	356.00	6.28	-97.00
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CS1	REAL300007415694	0	36	-2.0	-104.23	334.65	5.33	-98.90
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CS1	REAL300007415720	1	34	-2.0	-105.24	307.13	6.30	-98.94
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CS1	REAL300007415741	0	36	-2.0	-82.54	349.40	3.40	-79.14
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)CS1	REAL300007415790	0	28	-2.0	-85.98	289.38	3.14	-82.84
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=N2)=C1	REAL300007415855	0	39	-2.0	-110.09	352.33	6.02	-104.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=N1	REAL300007415856	0	42	-2.0	-108.65	369.48	6.99	-101.66
CC1=C(CC(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007415918	1	42	-2.0	-99.70	371.49	4.47	-95.23
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CS1	REAL300007415965	0	29	-2.0	-88.63	288.29	4.66	-83.97
COC1=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300007415974	1	32	-2.0	-89.14	295.48	-0.32	-89.46
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C(Cl)=C2)CS1	REAL300007416079	0	29	-2.0	-86.16	283.47	4.53	-81.63
CCOC1=CC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300007416083	1	36	-2.0	-90.46	334.51	5.57	-84.89
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CS[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300007416095	0	40	-2.0	-106.26	357.05	4.66	-101.60
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)=CO1	REAL300007416116	1	33	-2.0	-91.44	319.44	-0.22	-91.66
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CS1	REAL300007416254	0	32	-2.0	-83.69	302.53	2.80	-80.89
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CS1	REAL300007416254	1	32	-2.0	-83.64	302.60	2.80	-80.84
COCC1=NC=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300007416537	1	34	-2.0	-91.49	307.84	1.19	-90.30
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CS1	REAL300007416577	1	37	-2.0	-91.90	322.22	4.12	-87.78
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CS1	REAL300007416841	0	29	-2.0	-91.60	297.42	6.59	-85.01
CC1=C(C(=O)N[C@@H]2CS[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007417104	0	37	-2.0	-104.76	330.69	3.73	-101.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])O1	REAL300007418227	1	38	-2.0	-92.00	335.05	1.74	-90.26
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300007419581	1	34	-2.0	-94.55	290.99	5.71	-88.84
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007419593	1	37	-2.0	-104.87	322.29	7.81	-97.06
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300007419633	0	34	-2.0	-92.24	289.52	4.15	-88.09
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300007419633	1	34	-2.0	-92.24	289.58	4.16	-88.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=N1	REAL300007419690	0	40	-2.0	-97.83	345.31	3.79	-94.04
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300007419742	1	33	-2.0	-107.92	278.92	3.82	-104.10
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007419850	1	39	-2.0	-124.44	323.48	8.69	-115.75
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007420086	0	34	-2.0	-95.93	303.83	6.22	-89.71
COC1=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300007420099	1	37	-2.0	-91.71	320.30	0.24	-91.47
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300007420171	0	37	-2.0	-101.16	310.52	4.90	-96.26
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300007420171	1	37	-2.0	-101.19	310.57	4.91	-96.28
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007420201	0	34	-2.0	-92.18	300.78	6.20	-85.98
CCOC1=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007420204	1	41	-2.0	-96.58	351.84	7.23	-89.35
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=CO1	REAL300007420225	1	38	-2.0	-99.64	334.30	1.57	-98.07
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007420355	0	37	-2.0	-87.02	319.30	5.10	-81.92
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007420355	1	37	-2.0	-86.99	319.36	5.12	-81.87
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300007420570	0	32	-2.0	-97.72	271.03	4.12	-93.60
COCC1=NC=C(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C(=O)[N-]1	REAL300007420592	1	39	-2.0	-110.43	327.87	2.70	-107.73
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007420853	0	34	-2.0	-100.77	319.24	7.18	-93.59
O=C([O-])C(NC(=O)C1=N[N-]C2=CC=CC=C2C1=O)C12CC3CC(CC(C3)C1)C2	REAL300007422734	0	49	-2.0	-127.42	372.78	9.32	-118.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)O1	REAL300007423232	1	49	-2.0	-101.61	388.36	3.41	-98.20
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C12CC3CC(CC(C3)C1)C2	REAL300007424413	1	45	-2.0	-108.06	342.39	7.60	-100.46
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424426	1	48	-2.0	-126.67	372.05	10.18	-116.49
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424470	0	45	-2.0	-101.70	338.23	5.66	-96.04
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300007424470	1	45	-2.0	-101.64	338.29	5.68	-95.96
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O=C([O-])C1=CC=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300007438858	0	38	-2.0	-137.93	347.29	7.71	-130.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300007438865	0	39	-2.0	-134.78	346.87	5.58	-129.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=CO1	REAL300007438884	1	32	-2.0	-114.69	308.60	0.82	-113.87
O=C([O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300007438952	0	36	-2.0	-117.78	321.06	9.50	-108.28
O=C([O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300007438952	1	36	-2.0	-117.87	321.00	9.53	-108.34
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300007439007	0	31	-2.0	-95.95	292.42	3.71	-92.24
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300007439007	1	31	-2.0	-95.93	292.35	3.71	-92.22
COCC1=NC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300007439260	1	33	-2.0	-96.28	297.64	2.23	-94.05
O=C([O-])C1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300007439293	1	36	-2.0	-97.34	311.55	5.12	-92.22
O=C([O-])C1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300007439537	0	28	-2.0	-121.38	287.23	7.55	-113.83
CC1=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007439778	0	36	-2.0	-107.87	321.32	4.73	-103.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300007441046	1	45	-2.0	-111.18	384.19	6.70	-104.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007441315	1	45	-2.0	-100.71	384.55	6.92	-93.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)O1	REAL300007441737	1	39	-2.0	-93.99	355.50	2.71	-91.28
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007441980	0	42	-2.0	-110.83	362.79	6.03	-104.80
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CS1	REAL300007442314	1	46	-2.0	-116.07	396.98	7.14	-108.93
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007442530	0	42	-2.0	-93.63	369.50	6.08	-87.55
CC1=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007442617	1	48	-2.0	-94.81	387.19	7.52	-87.29
COC1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C([O-])=C1	REAL300007443109	1	39	-2.0	-107.96	329.94	7.71	-100.25
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C2)CC1	REAL300007443662	1	35	-2.0	-98.98	308.60	6.95	-92.03
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=C2)CC1	REAL300007443675	1	38	-2.0	-99.61	339.24	9.40	-90.21
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300007443709	0	35	-2.0	-97.73	306.06	5.02	-92.71
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300007443709	1	35	-2.0	-97.73	306.12	5.04	-92.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=N1	REAL300007443798	0	41	-2.0	-95.01	363.86	5.06	-89.95
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=C2)CC1	REAL300007443833	1	40	-2.0	-94.25	341.87	6.45	-87.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300007443987	0	45	-2.0	-106.81	391.14	9.18	-97.63
O=C([O-])C1(C2=CC=C(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C=C2)CC1	REAL300007443992	0	42	-2.0	-108.03	369.88	8.23	-99.80
O=C([O-])C1(C2=CC=C(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C=C2)CC1	REAL300007444034	0	40	-2.0	-122.07	342.74	9.02	-113.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C4(C(=O)[O-])CC4)C=C3)=N2)=C1	REAL300007444201	0	45	-2.0	-126.91	387.92	8.82	-118.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300007444202	0	48	-2.0	-111.31	397.60	9.96	-101.35
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=C2)CC1	REAL300007444341	0	35	-2.0	-88.30	322.73	7.43	-80.87
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300007444458	0	38	-2.0	-109.06	327.57	5.81	-103.25
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300007444458	1	38	-2.0	-109.06	327.63	5.82	-103.24
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C2)CC1	REAL300007444497	0	35	-2.0	-96.23	318.41	7.45	-88.78
CCOC1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CC(Cl)=C1[O-]	REAL300007444501	1	42	-2.0	-100.36	369.45	8.48	-91.88
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4(C(=O)[O-])CC4)C=C3)=N2)C=C1	REAL300007444510	0	46	-2.0	-109.74	392.95	7.46	-102.28
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)=CO1	REAL300007444534	1	39	-2.0	-106.26	354.38	2.71	-103.55
O=C([O-])C1(C2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)C=C2)CC1	REAL300007444624	0	43	-2.0	-96.55	366.88	11.38	-85.17
O=C([O-])C1(C2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)C=C2)CC1	REAL300007444624	1	43	-2.0	-96.50	366.83	11.40	-85.10
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300007444696	0	38	-2.0	-85.86	338.43	5.58	-80.28
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300007444696	1	38	-2.0	-85.84	338.50	5.60	-80.24
COCC1=NC=C(C(=O)NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C(=O)[N-]1	REAL300007445032	1	40	-2.0	-93.70	343.71	4.10	-89.60
O=C([O-])C1(C2=CC=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=C2)CC1	REAL300007445081	1	43	-2.0	-94.32	357.63	7.00	-87.32
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=C2)CC1	REAL300007445407	0	35	-2.0	-95.77	333.03	9.43	-86.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)=C1	REAL300007446629	1	41	-2.0	-100.95	358.20	5.40	-95.55
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007446928	1	41	-2.0	-102.14	358.28	5.62	-96.52
CC1=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=CC(F)=C1C(=O)[O-]	REAL300007447386	1	44	-2.0	-93.30	391.19	4.05	-89.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)O1	REAL300007447387	1	35	-2.0	-92.96	336.43	1.60	-91.36
CC1=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC(F)=C1C(=O)[O-]	REAL300007447648	0	38	-2.0	-100.76	336.81	4.72	-96.04
CC1=CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC(F)=C1C(=O)[O-]	REAL300007447988	1	42	-2.0	-110.51	371.57	5.83	-104.68
CC1=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC(F)=C1C(=O)[O-]	REAL300007448218	0	38	-2.0	-96.76	350.41	4.97	-91.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])C(F)=C1	REAL300007448223	1	44	-2.0	-102.53	379.77	6.40	-96.13
COC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C([O-])=C1	REAL300007448811	1	35	-2.0	-109.73	303.66	6.38	-103.35
CC1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC(F)=C1C(=O)[O-]	REAL300007449364	1	31	-2.0	-92.31	283.19	5.66	-86.65
CC1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC(F)=C1C(=O)[O-]	REAL300007449376	1	34	-2.0	-103.33	320.13	8.27	-95.06
CC1=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC(F)=C1C(=O)[O-]	REAL300007449482	0	37	-2.0	-94.51	338.42	3.75	-90.76
CC1=CC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=CC(F)=C1C(=O)[O-]	REAL300007449575	0	47	-2.0	-110.58	397.46	8.79	-101.79
CC1=CC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=CC(F)=C1C(=O)[O-]	REAL300007449576	0	47	-2.0	-115.63	397.67	8.80	-106.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)=N1	REAL300007449672	0	41	-2.0	-109.11	371.54	8.06	-101.05
CC1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC(F)=C1C(=O)[O-]	REAL300007449677	0	38	-2.0	-108.43	343.61	6.93	-101.50
CC1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC(F)=C1C(=O)[O-]	REAL300007449719	0	36	-2.0	-115.55	316.77	7.72	-107.83
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)=N2)=C1	REAL300007449884	0	41	-2.0	-114.14	361.95	7.52	-106.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)=N1	REAL300007449885	0	44	-2.0	-113.59	378.12	8.86	-104.73
CC1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC(F)=C1C(=O)[O-]	REAL300007450024	0	31	-2.0	-90.30	299.05	6.21	-84.09
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(F)=C1C(=O)[O-]	REAL300007450140	0	34	-2.0	-106.25	302.18	4.50	-101.75
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(F)=C1C(=O)[O-]	REAL300007450140	1	34	-2.0	-106.26	302.24	4.52	-101.74
CC1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC(F)=C1C(=O)[O-]	REAL300007450177	0	31	-2.0	-89.19	292.99	6.14	-83.05
CCOC1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)=CC(Cl)=C1[O-]	REAL300007450181	1	38	-2.0	-93.22	343.89	7.18	-86.04
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C)=C(C(=O)[O-])C(F)=C3)=N2)C=C1	REAL300007450191	0	42	-2.0	-115.63	366.96	6.18	-109.45
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)=CO1	REAL300007450215	1	35	-2.0	-98.10	328.97	1.40	-96.70
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC(F)=C1C(=O)[O-]	REAL300007450308	0	39	-2.0	-100.46	341.07	10.07	-90.39
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC(F)=C1C(=O)[O-]	REAL300007450308	1	39	-2.0	-100.46	341.02	10.07	-90.39
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(F)=C1C(=O)[O-]	REAL300007450381	0	34	-2.0	-85.33	312.22	4.29	-81.04
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(F)=C1C(=O)[O-]	REAL300007450381	1	34	-2.0	-85.37	312.15	4.27	-81.10
COCC1=NC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])C(F)=C2)C(=O)[N-]1	REAL300007450716	1	36	-2.0	-91.77	324.79	3.03	-88.74
CC1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC(F)=C1C(=O)[O-]	REAL300007451086	0	31	-2.0	-97.15	307.02	8.12	-89.03
CC1=CC(NC(=O)C2=C(C)N=C(C3=CC=CO3)NC2=O)=CC(F)=C1C(=O)[O-]	REAL300007451395	0	39	-2.0	-98.52	347.81	5.43	-93.09
CC1=CC(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=CC(F)=C1C(=O)[O-]	REAL300007451395	1	39	-2.0	-98.52	347.81	5.43	-93.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])O1	REAL300007452938	1	41	-2.0	-99.52	384.82	2.50	-97.02
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300007454177	1	37	-2.0	-104.34	338.18	6.75	-97.59
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007454189	1	40	-2.0	-121.58	362.59	9.32	-112.26
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300007454233	0	37	-2.0	-97.77	330.19	4.94	-92.83
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300007454233	1	37	-2.0	-97.77	330.25	4.95	-92.82
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300007454305	1	42	-2.0	-114.51	362.22	6.30	-108.21
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CN=CC([O-])=C1	REAL300007454328	1	36	-2.0	-105.92	321.22	4.93	-100.99
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007454430	1	42	-2.0	-138.95	372.08	8.95	-130.00
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007454657	0	37	-2.0	-101.35	354.19	7.30	-94.05
COC1=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])NC(=O)[N-]C1=O	REAL300007454670	1	40	-2.0	-101.88	359.91	2.41	-99.47
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300007454740	0	40	-2.0	-110.17	357.13	5.57	-104.60
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300007454740	1	40	-2.0	-110.19	357.19	5.59	-104.60
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300007454768	0	37	-2.0	-102.26	347.98	7.24	-95.02
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=CO1	REAL300007454788	1	41	-2.0	-107.60	383.95	2.48	-105.12
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007454907	0	40	-2.0	-94.46	367.48	5.43	-89.03
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007454907	1	40	-2.0	-94.44	367.55	5.44	-89.00
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=C[N-]N=CC1=O	REAL300007455101	0	35	-2.0	-103.91	309.31	5.38	-98.53
COCC1=NC=C(C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C(=O)[N-]1	REAL300007455124	1	42	-2.0	-113.50	373.15	3.90	-109.60
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C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CO2)=CO1	REAL300007476566	1	35	-2.0	-107.39	328.76	1.58	-105.81
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])O1	REAL300007478630	1	46	-2.0	-103.90	366.42	2.41	-101.49
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)O1	REAL300007483563	1	42	-2.0	-94.70	370.68	1.10	-93.60
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)C=N1	REAL300007485431	0	44	-2.0	-99.16	380.78	2.96	-96.20
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COC1=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)NC(=O)[N-]C1=O	REAL300007485966	1	41	-2.0	-97.84	355.34	-0.51	-98.35
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CCOC1=CC(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)=CC(Cl)=C1[O-]	REAL300007486101	1	45	-2.0	-99.26	386.45	6.47	-92.79
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)=CO1	REAL300007486134	1	42	-2.0	-102.65	369.72	0.86	-101.79
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COCC1=NC=C(C(=O)N2CCC(C3=CC(C(=O)[O-])=NN3)CC2)C(=O)[N-]1	REAL300007486604	1	43	-2.0	-104.38	367.97	2.01	-102.37
O=C([O-])C1=NNC(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)=C1	REAL300007486652	1	46	-2.0	-96.43	376.71	4.93	-91.50
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COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C23CCS(=O)(=O)CC3)C(=O)[N-]1	REAL300007490030	1	46	-2.0	-89.94	353.18	-0.21	-90.15
CC1=C(CCC(=O)NC2(CC(=O)[O-])CC2)C(=O)NC(N2CCOCC2)=N1	REAL300007490719	0	48	-2.0	-114.12	391.36	5.68	-108.44
CC1=C(CCC(=O)NC2(CC(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300007490719	1	48	-2.0	-114.12	391.36	5.68	-108.44
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CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007491186	1	40	-2.0	-123.01	355.22	8.84	-114.17
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CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007491233	1	45	-2.0	-97.87	393.61	6.65	-91.22
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CC1=CC(C(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007491331	0	38	-2.0	-89.51	351.49	3.67	-85.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300007491425	1	45	-2.0	-98.58	395.12	6.56	-92.02
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)O1	REAL300007491508	1	41	-2.0	-97.94	360.21	2.09	-95.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)O1	REAL300007491509	1	32	-2.0	-98.73	305.43	-0.31	-99.04
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)[C@H](C)C(=O)[O-])=N2)=C1	REAL300007495825	0	43	-2.0	-122.73	353.17	7.50	-115.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@H](C)C(=O)[O-])=N2)C=C1	REAL300007495826	0	43	-2.0	-120.90	353.08	7.50	-113.40
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CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=CS1	REAL300007499135	1	43	-2.0	-106.81	369.71	7.12	-99.69
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COC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C([O-])=C1	REAL300007499774	1	36	-2.0	-111.53	300.15	7.42	-104.11
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=N1	REAL300007500300	0	38	-2.0	-104.59	334.36	4.74	-99.85
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)=C1	REAL300007500372	0	48	-2.0	-123.34	397.18	10.45	-112.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)C=C1	REAL300007500373	0	48	-2.0	-121.49	398.57	10.46	-111.03
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O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=NC=C12	REAL300007517172	0	36	-2.0	-102.56	315.25	4.41	-98.15
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=NC=C12	REAL300007517172	1	36	-2.0	-102.59	315.19	4.40	-98.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC=NC=C12	REAL300007517209	0	33	-2.0	-90.60	306.44	6.02	-84.58
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=CN=CC=C23)=CC(Cl)=C1[O-]	REAL300007517212	1	40	-2.0	-92.55	357.10	7.10	-85.45
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=CN=CC=C23)=CO1	REAL300007517245	1	37	-2.0	-98.45	342.41	1.28	-97.17
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C2=CC=NC=C12	REAL300007517337	0	41	-2.0	-96.25	353.49	9.94	-86.31
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C2=CC=NC=C12	REAL300007517337	1	41	-2.0	-96.31	353.44	9.95	-86.36
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=NC=C12	REAL300007517412	0	36	-2.0	-84.36	325.84	4.21	-80.15
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=NC=C12	REAL300007517412	1	36	-2.0	-84.35	325.78	4.20	-80.15
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C2=CC=NC=C12	REAL300007517695	0	31	-2.0	-81.05	277.31	4.09	-76.96
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=CN=CC=C23)C(=O)[N-]1	REAL300007517729	1	38	-2.0	-88.21	330.57	2.73	-85.48
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=NC=C12	REAL300007517777	1	41	-2.0	-88.42	344.46	5.61	-82.81
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=NC=C12	REAL300007518087	0	33	-2.0	-98.55	320.63	8.02	-90.53
O=C([O-])C1CCN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C12CCSCC2	REAL300007519211	0	43	-2.0	-94.70	333.95	8.19	-86.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)O1	REAL300007519768	1	43	-2.0	-87.15	350.64	2.45	-84.70
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C12CCSCC2	REAL300007521066	1	39	-2.0	-91.09	303.18	6.21	-84.88
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C12CCSCC2	REAL300007521078	1	42	-2.0	-98.39	335.77	8.13	-90.26
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCSCC2	REAL300007521120	0	39	-2.0	-86.91	304.55	4.71	-82.20
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCSCC2	REAL300007521120	1	39	-2.0	-86.94	304.61	4.73	-82.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C=N1	REAL300007521176	0	45	-2.0	-91.70	358.06	4.25	-87.45
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C12CCSCC2	REAL300007521197	1	44	-2.0	-90.69	340.99	5.66	-85.03
O=C([O-])C1CCN(C(=O)C2=CN=CC([O-])=C2)C12CCSCC2	REAL300007521222	1	38	-2.0	-91.35	291.66	4.25	-87.10
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C12CCSCC2	REAL300007521326	1	44	-2.0	-105.19	337.65	8.86	-96.33
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C12CCSCC2	REAL300007521554	0	39	-2.0	-87.34	318.51	6.75	-80.59
COC1=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)NC(=O)[N-]C1=O	REAL300007521567	1	42	-2.0	-88.26	325.87	1.99	-86.27
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCSCC2	REAL300007521638	0	42	-2.0	-94.17	326.16	5.50	-88.67
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCSCC2	REAL300007521638	1	42	-2.0	-94.15	326.21	5.51	-88.64
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C12CCSCC2	REAL300007521667	0	39	-2.0	-87.65	312.98	6.69	-80.96
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=CC(Cl)=C1[O-]	REAL300007521670	1	46	-2.0	-90.60	364.05	7.73	-82.87
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)=CO1	REAL300007521691	1	43	-2.0	-91.52	347.71	2.09	-89.43
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCSCC2	REAL300007521814	0	42	-2.0	-82.71	333.19	5.76	-76.95
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCSCC2	REAL300007521814	1	42	-2.0	-82.68	333.26	5.76	-76.92
O=C([O-])C1CCN(C(=O)C2=C[N-]N=CC2=O)C12CCSCC2	REAL300007522014	0	37	-2.0	-82.26	282.31	4.37	-77.89
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C23CCSCC3)C(=O)[N-]1	REAL300007522036	1	44	-2.0	-89.94	336.31	2.78	-87.16
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C12CCSCC2	REAL300007522073	1	47	-2.0	-90.77	356.73	6.21	-84.56
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCSCC2	REAL300007522285	0	39	-2.0	-94.37	329.84	8.17	-86.20
CC1=C(CCC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300007524240	1	51	-2.0	-104.26	406.50	6.12	-98.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007524769	1	43	-2.0	-109.97	370.31	9.19	-100.78
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007524916	1	45	-2.0	-107.30	387.76	6.18	-101.12
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007524917	1	45	-2.0	-109.64	386.13	6.16	-103.48
CC1=CC(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300007524928	0	41	-2.0	-91.57	369.20	4.37	-87.20
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300007525112	0	42	-2.0	-105.64	379.71	5.19	-100.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300007525129	1	44	-2.0	-99.63	374.42	2.42	-97.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300007525130	1	35	-2.0	-98.28	319.65	-0.03	-98.31
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007525358	0	42	-2.0	-108.08	378.07	5.17	-102.91
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300007525612	1	42	-2.0	-112.72	360.46	4.46	-108.26
CC1=C(CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007525784	1	44	-2.0	-122.92	371.53	4.57	-118.35
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300007525913	1	45	-2.0	-100.22	387.94	6.17	-94.05
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300007526445	1	34	-2.0	-113.34	303.34	6.75	-106.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007526511	0	37	-2.0	-104.19	328.25	2.33	-101.86
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300007526556	1	44	-2.0	-96.45	382.98	4.41	-92.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300007526570	0	47	-2.0	-128.88	387.79	7.35	-121.53
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300007526571	0	47	-2.0	-127.12	387.78	7.36	-119.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007526618	0	41	-2.0	-122.05	349.97	6.43	-115.62
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300007526622	0	38	-2.0	-126.34	334.00	5.50	-120.84
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300007526637	1	36	-2.0	-128.22	307.16	6.37	-121.85
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300007526653	0	38	-2.0	-93.78	347.68	3.60	-90.18
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300007526683	0	30	-2.0	-97.70	288.83	3.33	-94.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300007526715	0	41	-2.0	-131.48	352.34	6.10	-125.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007526716	0	44	-2.0	-129.13	368.97	7.17	-121.96
CC1=C(CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007526741	1	44	-2.0	-121.77	372.62	4.61	-117.16
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300007526766	0	31	-2.0	-96.75	289.02	4.79	-91.96
CCOC1=CC(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300007526824	1	38	-2.0	-101.84	333.86	5.77	-96.07
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300007526827	0	41	-2.0	-132.85	357.49	6.87	-125.98
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300007526831	0	42	-2.0	-126.80	357.07	4.74	-122.06
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CO1	REAL300007526841	1	35	-2.0	-101.16	317.85	0.04	-101.12
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300007526935	0	34	-2.0	-89.34	301.65	2.92	-86.42
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300007526935	1	34	-2.0	-89.31	301.71	2.93	-86.38
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300007527134	1	39	-2.0	-109.72	322.06	4.28	-105.44
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300007527287	0	31	-2.0	-108.40	296.49	6.85	-101.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)O1	REAL300007528999	1	39	-2.0	-87.22	353.42	3.33	-83.89
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C=C(F)C=C2C(=O)[O-])C1	REAL300007529189	0	42	-2.0	-108.32	361.51	6.07	-102.25
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300007530718	1	35	-2.0	-97.23	306.78	7.10	-90.13
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300007530731	1	38	-2.0	-108.98	341.22	9.00	-99.98
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300007530787	0	35	-2.0	-92.16	307.12	5.57	-86.59
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300007530787	1	35	-2.0	-92.13	307.18	5.59	-86.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C=N1	REAL300007530867	0	41	-2.0	-95.48	362.69	5.16	-90.32
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300007530937	1	34	-2.0	-92.73	296.27	5.19	-87.54
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300007531049	0	42	-2.0	-113.72	367.78	9.02	-104.70
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300007531095	1	40	-2.0	-115.56	340.67	10.13	-105.43
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300007531383	0	35	-2.0	-89.54	323.47	7.70	-81.84
COC1=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300007531402	1	38	-2.0	-90.38	338.09	1.67	-88.71
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300007531498	0	38	-2.0	-103.27	328.59	6.37	-96.90
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300007531498	1	38	-2.0	-103.29	328.64	6.39	-96.90
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300007531533	0	35	-2.0	-93.48	316.57	7.58	-85.90
CCOC1=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300007531537	1	42	-2.0	-93.79	368.34	8.67	-85.12
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)=CO1	REAL300007531570	1	39	-2.0	-93.24	353.00	3.07	-90.17
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300007531730	0	38	-2.0	-86.19	336.48	6.66	-79.53
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300007531730	1	38	-2.0	-86.20	336.54	6.66	-79.54
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300007532007	0	33	-2.0	-95.68	296.94	5.64	-90.04
COCC1=NC=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C(=O)[N-]1	REAL300007532040	1	40	-2.0	-90.80	343.11	4.10	-86.70
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300007532390	0	35	-2.0	-103.92	335.30	9.05	-94.87
CC1=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C(=O)NC(C2=CC=CO2)=N1	REAL300007532689	0	43	-2.0	-111.08	378.82	6.58	-104.50
CC1=C(C(=O)N2CCC3=C(C=C(F)C=C3C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007532689	1	43	-2.0	-111.08	378.82	6.58	-104.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(COCC(=O)[O-])CC2)=C1	REAL300007533653	0	48	-2.0	-101.77	400.50	5.35	-96.42
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007533935	0	48	-2.0	-103.21	399.53	5.50	-97.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)O1	REAL300007534367	1	42	-2.0	-99.32	365.28	1.71	-97.61
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007534617	0	45	-2.0	-101.76	378.06	4.61	-97.15
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(COCC(=O)[O-])CC2)=CS1	REAL300007534951	1	49	-2.0	-97.58	410.09	6.23	-91.35
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007535175	0	45	-2.0	-96.05	385.53	4.74	-91.31
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(COCC(=O)[O-])CC1	REAL300007535179	0	51	-2.0	-103.61	421.02	6.29	-97.32
CC1=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007535261	1	51	-2.0	-105.80	408.66	5.97	-99.83
O=C([O-])COCC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300007536294	1	38	-2.0	-92.57	320.41	5.68	-86.89
O=C([O-])COCC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300007536306	1	41	-2.0	-100.50	353.66	7.49	-93.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C=N1	REAL300007536419	0	44	-2.0	-99.79	377.28	3.73	-96.06
O=C([O-])COCC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300007536453	1	43	-2.0	-101.40	360.51	5.14	-96.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(COCC(=O)[O-])CC2)=N1	REAL300007536606	0	48	-2.0	-109.68	405.45	7.94	-101.74
O=C([O-])COCC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300007536611	0	45	-2.0	-111.34	379.50	7.55	-103.79
O=C([O-])COCC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300007536652	1	43	-2.0	-108.73	352.86	8.63	-100.10
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(COCC(=O)[O-])CC3)=N2)=C1	REAL300007536817	0	48	-2.0	-113.52	397.78	8.11	-105.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(COCC(=O)[O-])CC2)=N1	REAL300007536818	0	51	-2.0	-113.55	419.46	8.65	-104.90
O=C([O-])COCC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300007536955	0	38	-2.0	-90.29	336.43	6.22	-84.07
COC1=C(C(=O)N2CCC(COCC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300007536972	1	41	-2.0	-91.45	349.77	0.19	-91.26
O=C([O-])COCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300007537071	0	41	-2.0	-94.31	340.66	4.91	-89.40
O=C([O-])COCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300007537071	1	41	-2.0	-94.29	340.72	4.93	-89.36
O=C([O-])COCC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300007537109	0	38	-2.0	-89.57	330.21	6.16	-83.41
CCOC1=CC(C(=O)N2CCC(COCC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300007537113	1	45	-2.0	-97.58	382.49	7.24	-90.34
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(COCC(=O)[O-])CC3)=N2)C=C1	REAL300007537123	0	49	-2.0	-109.90	402.86	6.80	-103.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(COCC(=O)[O-])CC2)=CO1	REAL300007537146	1	42	-2.0	-90.25	364.37	1.51	-88.74
O=C([O-])COCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300007537309	0	41	-2.0	-89.05	348.34	5.16	-83.89
O=C([O-])COCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300007537309	1	41	-2.0	-89.05	348.41	5.16	-83.89
COCC1=NC=C(C(=O)N2CCC(COCC(=O)[O-])CC2)C(=O)[N-]1	REAL300007537639	1	43	-2.0	-92.09	355.18	2.63	-89.46
O=C([O-])COCC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300007537688	1	46	-2.0	-101.08	376.37	5.69	-95.39
O=C([O-])COCC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300007538007	0	38	-2.0	-96.71	348.19	6.99	-89.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)O1	REAL300007539644	1	38	-2.0	-99.57	343.02	1.92	-97.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	REAL300007539831	0	41	-2.0	-119.65	356.04	5.00	-114.65
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300007541318	1	34	-2.0	-101.16	299.33	6.11	-95.05
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007541331	1	37	-2.0	-125.85	327.98	8.35	-117.50
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300007541386	0	34	-2.0	-97.43	293.28	4.41	-93.02
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300007541386	1	34	-2.0	-97.42	293.34	4.42	-93.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C=N1	REAL300007541458	0	40	-2.0	-113.10	353.54	4.15	-108.95
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300007541526	1	33	-2.0	-109.39	285.49	4.13	-105.26
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007541678	1	39	-2.0	-138.01	333.42	8.31	-129.70
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007541964	0	34	-2.0	-96.68	312.40	6.40	-90.28
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)NC(=O)[N-]C1=O	REAL300007541983	1	37	-2.0	-101.37	320.84	0.67	-100.70
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300007542076	0	37	-2.0	-97.65	315.35	5.01	-92.64
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300007542076	1	37	-2.0	-97.65	315.41	5.02	-92.63
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300007542110	0	34	-2.0	-99.16	309.12	6.57	-92.59
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=CC(Cl)=C1[O-]	REAL300007542113	1	41	-2.0	-104.88	359.33	7.57	-97.31
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)=CO1	REAL300007542145	1	38	-2.0	-96.88	341.74	1.78	-95.10
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007542301	0	37	-2.0	-92.19	326.72	5.33	-86.86
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007542301	1	37	-2.0	-92.18	326.79	5.33	-86.85
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300007542572	0	32	-2.0	-98.16	286.38	4.39	-93.77
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C(=O)[N-]1	REAL300007542604	1	39	-2.0	-107.06	340.41	2.95	-104.11
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007542944	0	34	-2.0	-122.56	325.58	7.13	-115.43
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300007543237	0	42	-2.0	-132.10	357.76	5.90	-126.20
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007543237	1	42	-2.0	-132.10	357.76	5.90	-126.20
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)=N1	REAL300007545092	1	40	-2.0	-112.61	353.07	6.42	-106.19
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300007545159	0	40	-2.0	-110.54	349.99	4.85	-105.69
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300007545159	1	40	-2.0	-110.52	350.05	4.86	-105.66
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)=N1	REAL300007545226	1	45	-2.0	-125.28	391.76	5.86	-119.42
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)=N1	REAL300007545241	1	39	-2.0	-110.14	341.07	4.52	-105.62
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)=N1	REAL300007545335	1	45	-2.0	-144.08	383.69	9.31	-134.77
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)=N1	REAL300007545540	0	40	-2.0	-106.32	367.71	6.80	-99.52
COC1=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)NC(=O)[N-]C1=O	REAL300007545558	1	43	-2.0	-111.18	380.68	0.90	-110.28
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300007545627	0	43	-2.0	-112.73	369.67	5.42	-107.31
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300007545627	1	43	-2.0	-112.74	369.72	5.43	-107.31
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)=N1	REAL300007545652	0	40	-2.0	-110.07	362.86	6.90	-103.17
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300007545764	0	43	-2.0	-102.36	379.16	5.83	-96.53
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300007545764	1	43	-2.0	-102.33	379.22	5.84	-96.49
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)=N1	REAL300007545927	0	38	-2.0	-113.93	339.85	4.89	-109.04
COCC1=NC=C(C(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C(=O)[N-]1	REAL300007545947	1	45	-2.0	-125.47	386.15	3.32	-122.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300007547560	1	42	-2.0	-107.28	378.48	3.85	-103.43
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549004	1	38	-2.0	-93.71	333.19	7.65	-86.06
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1C1=CC=C(F)C=C1	REAL300007549019	1	41	-2.0	-108.18	361.86	9.86	-98.32
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549080	0	38	-2.0	-87.13	332.06	6.05	-81.08
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549080	1	38	-2.0	-87.12	332.12	6.07	-81.05
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1C1=CC=C(F)C=C1	REAL300007549170	1	43	-2.0	-106.75	367.53	7.00	-99.75
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549196	1	37	-2.0	-100.06	317.44	5.62	-94.44
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549331	1	43	-2.0	-118.06	364.25	10.63	-107.43
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549601	0	38	-2.0	-92.30	344.64	8.02	-84.28
COC1=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300007549620	1	41	-2.0	-99.62	352.37	3.72	-95.90
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549710	0	41	-2.0	-89.85	353.62	6.85	-83.00
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549710	1	41	-2.0	-89.84	353.68	6.87	-82.97
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549742	0	38	-2.0	-89.31	342.99	8.13	-81.18
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)=CO1	REAL300007549772	1	42	-2.0	-100.52	374.31	3.41	-97.11
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549903	0	41	-2.0	-94.82	361.11	7.17	-87.65
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300007549903	1	41	-2.0	-94.81	361.18	7.17	-87.64
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1=CC=C(F)C=C1	REAL300007550132	0	36	-2.0	-105.13	321.05	6.22	-98.91
COCC1=NC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300007550161	1	43	-2.0	-105.68	369.39	4.66	-101.02
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1C1=CC=C(F)C=C1	REAL300007550202	1	46	-2.0	-119.52	389.01	7.70	-111.82
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C1=CC=C(F)C=C1	REAL300007550468	0	38	-2.0	-102.46	353.00	10.14	-92.32
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=C1	REAL300007551615	0	47	-2.0	-105.41	378.70	5.32	-100.09
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007551925	0	47	-2.0	-111.51	377.87	5.62	-105.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C=C1	REAL300007551973	1	49	-2.0	-117.74	401.54	11.02	-106.72
CC(C)[C@@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@H]1C(=O)[O-]	REAL300007552414	1	50	-2.0	-108.56	402.67	4.36	-104.20
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)O1	REAL300007552415	1	41	-2.0	-107.24	347.15	1.95	-105.29
CC(C)[C@@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-]	REAL300007552687	0	44	-2.0	-109.74	356.22	4.72	-105.02
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=CS1	REAL300007553045	1	48	-2.0	-95.04	392.23	6.30	-88.74
CC(C)[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-]	REAL300007553285	0	44	-2.0	-94.98	367.72	4.88	-90.10
CC1=C(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300007553288	1	50	-2.0	-102.90	402.17	6.45	-96.45
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1	REAL300007553291	0	50	-2.0	-105.25	400.05	6.54	-98.71
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007553372	1	50	-2.0	-108.68	389.29	6.14	-102.54
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1C(=O)[O-]	REAL300007554413	1	40	-2.0	-127.01	338.83	8.15	-118.86
CC(C)[C@@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@H]1C(=O)[O-]	REAL300007554520	0	43	-2.0	-96.78	352.88	3.74	-93.04
CC(C)[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1C(=O)[O-]	REAL300007554553	1	42	-2.0	-102.78	347.28	5.46	-97.32
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)=N2)=C1	REAL300007554612	0	53	-2.0	-125.25	415.41	9.50	-115.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)=N2)C=C1	REAL300007554613	0	53	-2.0	-122.10	415.35	9.49	-112.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=N1	REAL300007554703	0	47	-2.0	-114.20	376.96	8.39	-105.81
CC(C)[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1C(=O)[O-]	REAL300007554708	0	44	-2.0	-117.11	361.56	7.64	-109.47
CC(C)[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C(=O)[O-]	REAL300007554739	1	42	-2.0	-117.14	338.68	8.86	-108.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)=N2)=C1	REAL300007554894	0	47	-2.0	-125.81	379.83	8.22	-117.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=N1	REAL300007554895	0	50	-2.0	-124.79	396.36	9.30	-115.49
CC1=C(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300007554965	1	50	-2.0	-101.08	402.35	6.44	-94.64
CC(C)[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300007555016	0	37	-2.0	-91.52	321.57	6.40	-85.12
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)NC(=O)[N-]C1=O	REAL300007555028	1	40	-2.0	-107.14	329.61	1.92	-105.22
CC(C)[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300007555156	0	37	-2.0	-90.34	312.63	6.26	-84.08
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=CC(Cl)=C1[O-]	REAL300007555159	1	44	-2.0	-94.31	366.42	7.39	-86.92
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)=N2)C=C1	REAL300007555171	0	48	-2.0	-121.63	384.63	6.88	-114.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)=CO1	REAL300007555194	1	41	-2.0	-88.42	348.48	1.70	-86.72
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C(=O)[O-]	REAL300007555350	0	40	-2.0	-92.73	329.67	5.22	-87.51
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C(=O)[O-]	REAL300007555350	1	40	-2.0	-92.74	329.73	5.23	-87.51
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C(=O)[N-]1	REAL300007555671	1	42	-2.0	-106.42	343.22	2.96	-103.46
CC(C)[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1C(=O)[O-]	REAL300007555715	1	45	-2.0	-99.10	356.91	5.95	-93.15
CC(C)[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(=O)[O-]	REAL300007556014	0	37	-2.0	-121.68	332.92	8.17	-113.51
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300007556317	0	45	-2.0	-111.68	369.59	5.21	-106.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300007557729	1	42	-2.0	-101.19	370.89	3.70	-97.49
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300007557921	0	45	-2.0	-122.75	375.69	6.40	-116.35
CC1=C(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300007558473	1	51	-2.0	-109.58	414.54	8.14	-101.44
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300007559474	1	38	-2.0	-103.36	316.97	7.09	-96.27
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300007559487	1	41	-2.0	-126.69	351.80	9.50	-117.19
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300007559541	0	38	-2.0	-100.71	324.53	6.01	-94.70
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300007559541	1	38	-2.0	-100.70	324.59	6.03	-94.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300007559622	0	44	-2.0	-111.28	377.80	5.58	-105.70
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300007559653	1	43	-2.0	-125.77	361.48	6.98	-118.79
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300007559693	1	37	-2.0	-103.10	311.42	5.60	-97.50
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300007559808	0	45	-2.0	-125.12	385.01	9.35	-115.77
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300007559854	1	43	-2.0	-127.67	357.50	10.50	-117.17
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300007560141	0	38	-2.0	-102.25	338.61	8.01	-94.24
COC1=C(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300007560159	1	41	-2.0	-102.94	343.13	3.65	-99.29
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300007560257	0	41	-2.0	-108.74	346.03	6.79	-101.95
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300007560257	1	41	-2.0	-108.75	346.09	6.81	-101.94
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300007560293	0	38	-2.0	-100.18	326.77	7.57	-92.61
CCOC1=CC(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300007560297	1	45	-2.0	-106.90	383.46	8.99	-97.91
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)=CO1	REAL300007560330	1	42	-2.0	-104.02	367.05	3.33	-100.69
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300007560493	0	41	-2.0	-96.91	354.68	7.00	-89.91
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300007560493	1	41	-2.0	-96.89	354.75	7.01	-89.88
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300007560775	0	36	-2.0	-109.15	316.06	6.17	-102.98
COCC1=NC=C(C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])C2)C(=O)[N-]1	REAL300007560809	1	43	-2.0	-108.57	368.08	4.68	-103.89
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300007560857	1	46	-2.0	-125.38	377.33	7.53	-117.85
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300007561162	0	38	-2.0	-114.00	349.32	9.74	-104.26
CN(CC1=CC=CO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007563063	0	34	-2.0	-136.89	319.01	6.07	-130.82
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007563358	1	39	-2.0	-125.62	361.18	6.61	-119.01
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007563405	1	37	-2.0	-129.78	351.77	4.61	-125.17
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007563454	1	35	-2.0	-117.98	317.91	3.13	-114.85
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007563483	0	36	-2.0	-139.70	338.29	4.74	-134.96
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007563588	1	43	-2.0	-146.48	387.76	4.71	-141.77
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007563600	1	36	-2.0	-125.55	332.00	2.60	-122.95
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007563611	1	38	-2.0	-134.51	349.43	5.31	-129.20
COC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007563737	0	38	-2.0	-140.54	333.46	5.02	-135.52
CC(=O)N1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007563849	0	41	-2.0	-146.77	350.63	5.90	-140.87
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007564726	1	36	-2.0	-105.79	342.75	5.59	-100.20
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300007564780	1	34	-2.0	-100.87	332.43	3.60	-97.27
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300007564832	1	32	-2.0	-92.64	298.87	2.09	-90.55
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007564868	0	33	-2.0	-110.36	319.54	3.68	-106.68
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C(C2=CC=CC=C2)O1	REAL300007564979	1	40	-2.0	-108.15	366.76	3.89	-104.26
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007564992	1	33	-2.0	-99.08	313.15	1.55	-97.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007566024	0	36	-2.0	-112.03	341.00	4.48	-107.55
CC1=NC(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)=C(C2=CC=CC=C2)O1	REAL300007566131	1	43	-2.0	-111.53	389.99	4.46	-107.07
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007566144	1	36	-2.0	-99.80	334.65	2.35	-97.45
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007566155	1	38	-2.0	-104.17	351.91	5.07	-99.10
COC1=CC=CC=C1CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007566295	0	41	-2.0	-135.83	357.15	7.18	-128.65
CN(C1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007566397	0	40	-2.0	-137.10	338.74	7.30	-129.80
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572416	1	33	-2.0	-120.37	306.94	5.42	-114.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300007572418	0	25	-2.0	-103.19	274.66	4.63	-98.56
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572419	0	35	-2.0	-118.02	315.34	5.46	-112.56
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572420	1	31	-2.0	-106.57	302.45	6.40	-100.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300007572421	0	32	-2.0	-113.17	310.44	5.28	-107.89
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572422	1	34	-2.0	-116.02	326.39	2.53	-113.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300007572423	1	32	-2.0	-105.11	311.68	4.80	-100.31
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572425	1	31	-2.0	-103.92	297.89	6.29	-97.63
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572427	0	34	-2.0	-109.40	302.38	4.05	-105.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300007572428	1	44	-2.0	-109.74	367.54	8.81	-100.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300007572429	1	34	-2.0	-111.05	310.18	4.17	-106.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300007572431	0	28	-2.0	-111.14	282.17	5.70	-105.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300007572432	1	28	-2.0	-107.26	286.97	5.64	-101.62
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572433	0	33	-2.0	-122.35	304.02	7.36	-114.99
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572436	1	39	-2.0	-108.04	348.29	6.85	-101.19
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572437	1	31	-2.0	-107.46	293.50	5.74	-101.72
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572439	1	35	-2.0	-110.19	320.76	4.74	-105.45
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572440	1	34	-2.0	-103.99	314.73	2.64	-101.35
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572441	1	37	-2.0	-123.35	350.72	3.21	-120.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)=C1	REAL300007572444	0	33	-2.0	-115.58	323.31	5.43	-110.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300007572446	1	33	-2.0	-111.31	306.66	5.40	-105.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300007572449	0	37	-2.0	-112.56	340.24	6.24	-106.32
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007572450	0	37	-2.0	-109.58	324.19	4.91	-104.67
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572451	0	34	-2.0	-107.78	310.44	4.10	-103.68
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572452	0	37	-2.0	-117.35	330.22	5.99	-111.36
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572453	0	34	-2.0	-117.34	311.12	5.40	-111.94
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CN1	REAL300007572454	0	34	-2.0	-119.01	309.64	3.44	-115.57
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572455	1	40	-2.0	-109.42	318.08	7.61	-101.81
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572456	1	36	-2.0	-103.09	332.15	4.42	-98.67
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300007572457	0	36	-2.0	-108.43	337.48	4.78	-103.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300007572458	1	31	-2.0	-108.08	305.18	6.20	-101.88
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572459	1	31	-2.0	-107.31	286.06	5.83	-101.48
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300007572460	1	34	-2.0	-110.64	321.09	7.75	-102.89
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)=C1	REAL300007572461	0	33	-2.0	-101.27	319.78	7.06	-94.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300007572462	1	32	-2.0	-106.20	311.15	4.65	-101.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1	REAL300007572463	0	35	-2.0	-111.25	330.75	6.20	-105.05
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572464	0	43	-2.0	-109.62	364.01	6.46	-103.16
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300007572465	1	31	-2.0	-108.69	299.86	5.94	-102.75
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572466	0	39	-2.0	-118.60	349.01	4.52	-114.08
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572467	0	32	-2.0	-113.28	300.34	4.85	-108.43
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572468	0	39	-2.0	-119.86	355.81	5.10	-114.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300007572469	1	39	-2.0	-109.96	357.54	1.97	-107.99
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300007572471	0	36	-2.0	-128.86	327.19	6.25	-122.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300007572473	0	39	-2.0	-107.75	342.83	3.55	-104.20
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572474	0	42	-2.0	-118.66	387.68	6.11	-112.55
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572475	0	42	-2.0	-119.22	382.75	6.25	-112.97
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572476	0	34	-2.0	-117.27	313.00	5.77	-111.50
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572480	1	35	-2.0	-106.48	333.90	5.31	-101.17
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300007572481	0	36	-2.0	-106.26	323.72	2.77	-103.49
COC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572482	1	32	-2.0	-107.51	316.47	4.94	-102.57
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300007572483	0	32	-2.0	-107.71	310.09	5.13	-102.58
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007572484	0	34	-2.0	-99.92	321.21	5.75	-94.17
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572485	1	34	-2.0	-102.44	319.90	6.77	-95.67
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572486	1	34	-2.0	-106.02	319.90	6.78	-99.24
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300007572487	1	34	-2.0	-103.27	320.12	6.52	-96.75
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572488	1	37	-2.0	-113.05	319.68	7.00	-106.05
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572490	1	35	-2.0	-112.78	317.04	5.23	-107.55
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572491	0	35	-2.0	-106.08	325.43	2.63	-103.45
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300007572494	0	33	-2.0	-110.61	306.87	5.37	-105.24
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300007572497	1	35	-2.0	-128.82	330.29	2.88	-125.94
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572498	1	31	-2.0	-107.55	308.39	6.29	-101.26
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572499	1	31	-2.0	-107.04	298.84	6.31	-100.73
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572500	1	35	-2.0	-109.51	312.27	5.03	-104.48
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300007572501	1	32	-2.0	-104.14	315.61	4.98	-99.16
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300007572502	0	36	-2.0	-112.73	339.43	4.67	-108.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300007572503	0	31	-2.0	-108.61	309.64	4.08	-104.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300007572504	0	31	-2.0	-106.73	303.60	3.91	-102.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300007572506	0	31	-2.0	-114.64	305.84	4.07	-110.57
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572507	0	39	-2.0	-109.66	339.75	4.02	-105.64
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572508	1	40	-2.0	-113.73	369.36	4.22	-109.51
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572509	1	32	-2.0	-116.97	301.76	6.06	-110.91
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572510	1	34	-2.0	-111.74	308.57	6.44	-105.30
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572512	1	42	-2.0	-110.23	384.84	2.80	-107.43
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572513	0	39	-2.0	-131.16	348.91	4.88	-126.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)=C1	REAL300007572516	1	43	-2.0	-107.52	379.43	5.44	-102.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)=C1	REAL300007572517	0	40	-2.0	-130.76	358.21	4.01	-126.75
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572518	1	37	-2.0	-118.59	347.86	3.42	-115.17
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572519	0	38	-2.0	-124.86	354.62	2.32	-122.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300007572522	0	32	-2.0	-107.96	320.41	5.58	-102.38
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C2S1	REAL300007572524	1	42	-2.0	-108.65	378.67	6.96	-101.69
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007572525	1	40	-2.0	-109.74	356.40	6.55	-103.19
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300007572527	0	34	-2.0	-110.18	320.67	6.21	-103.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300007572528	0	31	-2.0	-107.39	321.32	6.95	-100.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300007572529	0	34	-2.0	-111.70	333.36	7.92	-103.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)=C1	REAL300007572530	0	31	-2.0	-112.29	319.07	6.89	-105.40
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300007572531	1	34	-2.0	-120.25	323.42	7.83	-112.42
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300007572532	1	34	-2.0	-110.17	326.68	6.79	-103.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)=C1	REAL300007572534	0	42	-2.0	-116.88	380.75	8.36	-108.52
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300007572537	0	37	-2.0	-113.28	336.87	8.04	-105.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1N(C)C	REAL300007572538	1	39	-2.0	-111.31	340.29	5.67	-105.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300007572540	0	33	-2.0	-115.20	302.67	1.92	-113.28
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300007572544	1	32	-2.0	-106.88	320.90	6.49	-100.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572545	0	40	-2.0	-111.03	341.82	5.59	-105.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300007572546	0	36	-2.0	-101.05	336.82	3.57	-97.48
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300007572547	0	35	-2.0	-100.68	326.91	2.73	-97.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)=C1	REAL300007572548	0	39	-2.0	-102.03	362.18	4.83	-97.20
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CN=C21	REAL300007572549	1	33	-2.0	-105.47	310.04	4.14	-101.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300007572551	0	35	-2.0	-120.22	311.46	5.04	-115.18
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300007572552	0	34	-2.0	-101.59	334.30	3.10	-98.49
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300007572553	1	37	-2.0	-109.25	332.98	8.55	-100.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C)=C1F	REAL300007572554	1	35	-2.0	-107.03	315.34	5.14	-101.89
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300007572558	0	36	-2.0	-105.35	335.12	6.30	-99.05
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572559	1	35	-2.0	-107.62	337.48	5.24	-102.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300007572562	0	28	-2.0	-101.59	298.25	5.21	-96.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300007572566	0	31	-2.0	-106.76	301.86	5.48	-101.28
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007572575	1	36	-2.0	-108.74	328.13	6.84	-101.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300007572576	1	28	-2.0	-104.33	282.42	5.52	-98.81
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300007572577	1	28	-2.0	-104.18	286.99	5.63	-98.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007572578	0	30	-2.0	-99.22	293.91	5.68	-93.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300007572579	1	34	-2.0	-113.56	311.63	7.28	-106.28
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300007572580	1	30	-2.0	-107.85	293.89	5.68	-102.17
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572581	1	33	-2.0	-106.16	309.39	6.45	-99.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007572583	0	30	-2.0	-123.90	284.22	6.40	-117.50
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572587	1	43	-2.0	-112.24	357.37	8.10	-104.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300007572588	1	31	-2.0	-106.82	304.76	6.02	-100.80
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300007572590	0	31	-2.0	-114.10	291.54	6.39	-107.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300007572591	1	28	-2.0	-107.34	282.40	5.53	-101.81
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572592	1	33	-2.0	-109.52	308.44	5.50	-104.02
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572593	1	34	-2.0	-111.14	302.57	6.44	-104.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007572596	1	34	-2.0	-108.20	321.20	5.76	-102.44
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572597	1	40	-2.0	-110.24	341.90	7.33	-102.91
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572599	1	39	-2.0	-110.67	361.29	3.00	-107.67
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572601	0	32	-2.0	-117.43	293.94	4.79	-112.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300007572603	1	31	-2.0	-105.19	305.19	6.19	-99.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300007572607	1	37	-2.0	-108.50	328.49	4.95	-103.55
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572608	0	44	-2.0	-118.93	370.14	7.10	-111.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007572609	1	33	-2.0	-108.92	309.88	6.20	-102.72
COC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572610	0	32	-2.0	-113.12	315.23	5.42	-107.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007572612	1	31	-2.0	-102.71	304.43	6.01	-96.70
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572614	0	36	-2.0	-118.51	323.42	4.08	-114.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300007572615	1	36	-2.0	-109.21	324.42	4.22	-104.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1OCC	REAL300007572620	1	42	-2.0	-109.37	368.12	6.06	-103.31
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572621	1	33	-2.0	-111.67	319.93	-0.04	-111.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1C	REAL300007572622	1	36	-2.0	-109.05	326.77	6.72	-102.33
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007572623	1	36	-2.0	-106.33	326.68	7.02	-99.31
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=C2N=C1	REAL300007572624	0	36	-2.0	-127.10	327.04	6.29	-120.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300007572625	0	34	-2.0	-118.66	316.23	5.73	-112.93
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572626	0	32	-2.0	-110.45	310.67	5.31	-105.14
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572627	1	33	-2.0	-115.45	319.88	-0.03	-115.48
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)=C1	REAL300007572628	1	40	-2.0	-115.02	374.70	2.85	-112.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300007572631	1	36	-2.0	-113.21	321.96	6.28	-106.93
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300007572632	0	36	-2.0	-122.58	325.85	7.65	-114.93
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572633	1	39	-2.0	-115.65	361.20	3.01	-112.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300007572634	0	40	-2.0	-117.31	351.61	4.35	-112.96
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572635	1	34	-2.0	-119.44	326.38	2.53	-116.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300007572636	1	38	-2.0	-113.81	335.54	8.88	-104.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300007572638	1	34	-2.0	-119.17	306.72	7.33	-111.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300007572639	1	38	-2.0	-111.10	339.86	8.43	-102.67
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572640	1	31	-2.0	-106.68	287.56	5.85	-100.83
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=CC=C12	REAL300007572641	1	42	-2.0	-115.20	360.14	7.17	-108.03
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300007572642	0	29	-2.0	-117.72	290.45	3.31	-114.41
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572643	0	32	-2.0	-113.17	310.67	5.32	-107.85
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572644	1	32	-2.0	-112.60	295.18	4.30	-108.30
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572645	1	43	-2.0	-110.23	356.12	7.79	-102.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300007572646	1	31	-2.0	-107.96	301.15	6.11	-101.85
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572648	1	34	-2.0	-108.73	295.93	6.72	-102.01
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300007572650	0	29	-2.0	-116.04	281.52	3.75	-112.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=C1	REAL300007572651	0	33	-2.0	-112.44	322.97	7.39	-105.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300007572652	0	33	-2.0	-127.01	305.63	5.64	-121.37
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572653	0	34	-2.0	-104.88	322.14	5.47	-99.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007572654	1	32	-2.0	-106.88	301.41	4.39	-102.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007572655	1	31	-2.0	-107.81	292.41	5.71	-102.10
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007572659	1	44	-2.0	-116.02	374.84	8.23	-107.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007572661	1	38	-2.0	-116.35	335.05	6.67	-109.68
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572662	1	33	-2.0	-98.85	309.38	6.45	-92.40
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572663	1	33	-2.0	-106.76	303.95	6.27	-100.49
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572664	1	36	-2.0	-104.79	324.16	7.39	-97.40
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572666	1	38	-2.0	-109.56	342.26	5.52	-104.04
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572668	1	31	-2.0	-106.61	297.89	6.30	-100.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300007572674	1	32	-2.0	-107.02	311.21	4.87	-102.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)=C1	REAL300007572675	1	32	-2.0	-106.76	320.96	5.13	-101.63
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572681	1	31	-2.0	-103.94	302.46	6.39	-97.55
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007572682	0	36	-2.0	-123.33	318.48	7.76	-115.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572683	1	37	-2.0	-115.02	341.88	3.30	-111.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)=C1	REAL300007572684	1	40	-2.0	-110.49	374.69	2.85	-107.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572685	1	36	-2.0	-111.12	342.30	1.18	-109.94
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572686	0	36	-2.0	-107.96	323.66	3.36	-104.60
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572687	0	30	-2.0	-106.87	289.95	3.61	-103.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=C1	REAL300007572688	0	31	-2.0	-112.36	302.24	6.37	-105.99
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300007572689	1	32	-2.0	-103.47	301.41	4.39	-99.08
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300007572690	1	38	-2.0	-115.21	339.89	8.43	-106.78
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)S2)=CS1	REAL300007572692	0	34	-2.0	-109.81	345.13	5.57	-104.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572694	0	36	-2.0	-127.14	326.94	6.31	-120.83
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CN1C	REAL300007572695	0	36	-2.0	-109.40	329.87	2.66	-106.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300007572697	1	39	-2.0	-112.40	349.89	9.13	-103.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300007572699	1	36	-2.0	-112.11	315.78	6.39	-105.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CN=CC=C32)=C1	REAL300007572700	1	33	-2.0	-117.49	302.04	5.54	-111.95
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1)=C2	REAL300007572701	1	41	-2.0	-117.16	365.47	8.85	-108.31
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007572702	0	33	-2.0	-116.74	315.99	5.85	-110.89
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572705	1	36	-2.0	-120.57	328.77	6.28	-114.29
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300007572706	0	38	-2.0	-108.64	351.65	6.58	-102.06
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300007572707	0	31	-2.0	-130.44	293.87	4.21	-126.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007572713	1	41	-2.0	-115.93	356.90	7.60	-108.33
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572714	0	38	-2.0	-119.14	337.19	6.38	-112.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300007572715	1	33	-2.0	-120.53	313.95	5.18	-115.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300007572716	0	35	-2.0	-109.24	326.25	6.12	-103.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300007572719	1	38	-2.0	-114.36	321.00	7.64	-106.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300007572721	1	32	-2.0	-104.32	322.07	6.48	-97.84
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300007572722	1	33	-2.0	-109.33	301.65	4.30	-105.03
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572727	1	36	-2.0	-114.77	342.30	1.18	-113.59
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300007572728	0	32	-2.0	-112.86	303.69	5.06	-107.80
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007572729	1	32	-2.0	-108.47	305.89	6.04	-102.43
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)N=C1C	REAL300007572732	0	34	-2.0	-121.52	311.45	4.79	-116.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300007572733	0	34	-2.0	-116.32	308.81	4.65	-111.67
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300007572734	1	33	-2.0	-112.08	301.84	5.44	-106.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300007572736	1	34	-2.0	-107.35	320.12	6.53	-100.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1	REAL300007572737	0	34	-2.0	-113.67	338.92	5.72	-107.95
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300007572738	1	37	-2.0	-109.67	330.53	6.61	-103.06
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300007572739	1	36	-2.0	-105.34	332.00	4.74	-100.60
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572741	1	35	-2.0	-112.25	320.75	4.73	-107.52
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300007572742	0	39	-2.0	-122.79	343.40	6.23	-116.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300007572746	0	36	-2.0	-118.38	331.23	5.58	-112.80
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572750	1	40	-2.0	-115.63	353.02	3.94	-111.69
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300007572751	0	34	-2.0	-115.37	332.10	5.69	-109.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300007572752	0	34	-2.0	-113.39	349.24	6.17	-107.22
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C2)=CO1	REAL300007572753	1	37	-2.0	-113.43	342.06	4.07	-109.36
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007572754	0	31	-2.0	-110.41	305.67	3.86	-106.55
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300007572755	0	31	-2.0	-112.60	295.44	5.41	-107.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300007572756	1	31	-2.0	-107.41	291.73	3.67	-103.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572757	1	31	-2.0	-103.98	292.86	1.71	-102.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300007572758	0	32	-2.0	-112.34	293.66	4.45	-107.89
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=N2)C=C1	REAL300007572761	0	38	-2.0	-108.89	347.65	6.81	-102.08
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CC(Cl)=C2O1	REAL300007572762	1	36	-2.0	-106.66	339.45	6.13	-100.53
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007572763	0	33	-2.0	-99.77	309.89	6.19	-93.58
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572764	0	39	-2.0	-113.97	353.42	5.76	-108.21
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300007572765	0	30	-2.0	-108.20	297.68	4.49	-103.71
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C2C=C1	REAL300007572767	1	37	-2.0	-113.28	332.98	7.95	-105.33
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300007572768	0	29	-2.0	-117.56	287.84	3.29	-114.27
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572769	1	36	-2.0	-113.52	317.21	5.41	-108.11
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300007572770	0	33	-2.0	-120.59	301.99	4.82	-115.77
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300007572772	1	33	-2.0	-113.26	301.50	4.85	-108.41
CN1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C21	REAL300007572774	1	40	-2.0	-114.71	339.91	5.57	-109.14
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300007572775	0	30	-2.0	-100.02	300.40	4.25	-95.77
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572776	0	36	-2.0	-124.17	319.66	5.52	-118.65
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572777	1	36	-2.0	-105.73	327.56	7.10	-98.63
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300007572778	0	36	-2.0	-122.16	326.48	8.20	-113.96
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007572779	1	36	-2.0	-107.59	324.99	6.98	-100.61
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572781	0	31	-2.0	-107.21	290.27	2.48	-104.73
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572782	0	37	-2.0	-110.17	338.67	6.66	-103.51
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300007572783	1	35	-2.0	-110.33	314.90	7.12	-103.21
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572784	1	36	-2.0	-113.52	324.66	3.62	-109.90
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300007572787	1	34	-2.0	-107.12	306.76	4.47	-102.65
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300007572788	0	31	-2.0	-119.46	293.61	5.34	-114.12
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300007572789	1	32	-2.0	-104.09	311.22	4.87	-99.22
CN1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007572790	1	34	-2.0	-119.12	313.95	6.37	-112.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007572791	0	36	-2.0	-125.70	319.49	6.82	-118.88
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C2O1	REAL300007572792	1	33	-2.0	-108.59	309.32	2.67	-105.92
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572794	1	36	-2.0	-98.76	323.68	7.34	-91.42
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572795	0	38	-2.0	-117.75	329.27	6.77	-110.98
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572796	0	31	-2.0	-110.66	298.64	5.40	-105.26
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572797	0	29	-2.0	-101.38	287.90	2.84	-98.54
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572798	0	30	-2.0	-106.15	295.69	3.59	-102.56
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572799	1	35	-2.0	-110.18	315.01	4.74	-105.44
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572800	0	31	-2.0	-110.56	295.29	5.63	-104.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300007572801	0	34	-2.0	-118.34	314.97	7.01	-111.33
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300007572802	0	31	-2.0	-114.88	292.28	3.64	-111.24
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300007572804	1	35	-2.0	-115.66	321.68	4.76	-110.90
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300007572806	0	32	-2.0	-124.30	304.06	5.08	-119.22
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300007572807	0	30	-2.0	-121.39	296.88	4.43	-116.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300007572810	1	31	-2.0	-105.03	301.16	6.11	-98.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300007572811	1	34	-2.0	-119.27	313.77	6.00	-113.27
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=C2)=N1	REAL300007572812	1	37	-2.0	-109.16	351.92	6.48	-102.68
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300007572813	0	36	-2.0	-119.82	317.87	6.21	-113.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300007572814	1	35	-2.0	-114.80	330.78	2.88	-111.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300007572815	0	37	-2.0	-118.22	327.37	5.36	-112.86
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572817	1	41	-2.0	-110.47	355.72	6.67	-103.80
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CN1CC1CC1	REAL300007572822	0	41	-2.0	-119.60	364.38	6.97	-112.63
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300007572823	0	31	-2.0	-107.09	305.42	4.51	-102.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300007572824	1	36	-2.0	-106.78	329.30	7.34	-99.44
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572825	0	35	-2.0	-106.61	312.14	4.91	-101.70
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300007572826	0	41	-2.0	-107.19	366.61	7.34	-99.85
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572827	0	31	-2.0	-97.07	306.28	3.68	-93.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)=C1	REAL300007572828	1	39	-2.0	-111.74	366.31	9.10	-102.64
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300007572829	1	38	-2.0	-121.96	331.78	8.40	-113.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)=C1	REAL300007572831	1	34	-2.0	-102.50	336.90	6.88	-95.62
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007572832	0	30	-2.0	-121.97	292.77	3.99	-117.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300007572833	1	37	-2.0	-118.07	320.57	8.26	-109.81
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572834	1	37	-2.0	-104.48	334.86	3.57	-100.91
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572835	0	32	-2.0	-108.85	298.41	5.14	-103.71
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007572837	1	40	-2.0	-107.44	343.90	7.26	-100.18
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572839	0	38	-2.0	-107.33	326.66	5.13	-102.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300007572840	0	40	-2.0	-107.81	333.94	5.62	-102.19
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300007572841	0	38	-2.0	-107.73	333.08	5.37	-102.36
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572842	0	31	-2.0	-101.72	300.00	3.90	-97.82
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572845	0	34	-2.0	-108.24	308.50	4.17	-104.07
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572853	1	37	-2.0	-109.29	317.40	7.50	-101.79
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572854	0	31	-2.0	-114.38	291.63	2.20	-112.18
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572855	0	44	-2.0	-110.19	383.75	7.92	-102.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300007572856	1	33	-2.0	-119.85	301.92	5.51	-114.34
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572857	0	31	-2.0	-106.70	288.73	5.71	-100.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300007572858	0	35	-2.0	-108.13	315.58	4.69	-103.44
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300007572859	0	35	-2.0	-106.15	312.56	4.88	-101.27
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300007572860	0	38	-2.0	-105.81	335.23	5.53	-100.28
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=NN2C1	REAL300007572861	0	39	-2.0	-115.27	340.72	3.02	-112.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300007572862	0	34	-2.0	-109.52	332.53	5.91	-103.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300007572863	0	35	-2.0	-110.19	308.61	5.08	-105.11
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572865	0	38	-2.0	-115.39	340.12	6.40	-108.99
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300007572866	0	36	-2.0	-121.70	322.92	5.59	-116.11
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572867	0	36	-2.0	-107.27	334.35	4.67	-102.60
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300007572868	0	34	-2.0	-116.18	319.36	5.62	-110.56
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572869	0	33	-2.0	-124.44	306.37	4.62	-119.82
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)=C1	REAL300007572871	0	32	-2.0	-112.83	320.69	5.57	-107.26
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300007572872	1	29	-2.0	-99.72	280.56	3.80	-95.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300007572873	0	31	-2.0	-112.31	304.53	6.45	-105.86
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572874	0	35	-2.0	-104.09	316.60	4.77	-99.32
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300007572876	0	36	-2.0	-113.64	321.40	4.93	-108.71
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=C1	REAL300007572877	0	31	-2.0	-112.89	295.45	5.29	-107.60
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300007572878	0	41	-2.0	-112.38	354.46	5.91	-106.47
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572879	0	40	-2.0	-110.08	344.87	5.63	-104.45
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C)=N1	REAL300007572880	0	40	-2.0	-108.29	353.60	5.78	-102.51
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300007572881	0	35	-2.0	-111.04	320.98	4.93	-106.11
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)C=CC=C21	REAL300007572883	0	33	-2.0	-128.61	310.22	3.41	-125.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300007572887	0	38	-2.0	-111.62	337.22	5.42	-106.20
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572888	1	46	-2.0	-114.17	379.91	8.92	-105.25
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)=C1	REAL300007572889	1	34	-2.0	-106.79	336.89	6.88	-99.91
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300007572890	0	38	-2.0	-108.62	339.67	5.66	-102.96
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300007572891	0	32	-2.0	-112.83	301.59	6.27	-106.56
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)=C1	REAL300007572892	0	39	-2.0	-116.20	364.19	7.82	-108.38
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007572893	0	37	-2.0	-135.41	331.11	6.22	-129.19
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572894	1	37	-2.0	-111.90	330.07	7.21	-104.69
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572895	0	35	-2.0	-108.24	311.36	4.54	-103.70
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572897	0	37	-2.0	-102.89	312.66	4.92	-97.97
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572898	0	37	-2.0	-108.72	330.17	4.73	-103.99
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300007572899	0	35	-2.0	-108.77	314.19	4.12	-104.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CN=C1C(F)(F)F	REAL300007572900	0	33	-2.0	-100.56	316.60	4.83	-95.73
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300007572901	1	31	-2.0	-101.02	310.82	6.07	-94.95
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007572902	1	34	-2.0	-111.23	298.17	6.31	-104.92
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572903	1	39	-2.0	-120.02	350.27	7.05	-112.97
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300007572908	0	28	-2.0	-110.29	285.69	5.24	-105.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300007572909	1	35	-2.0	-111.97	314.89	7.11	-104.86
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=CS1	REAL300007572910	0	29	-2.0	-113.77	287.94	3.45	-110.32
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300007572911	0	38	-2.0	-105.74	330.49	5.61	-100.13
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572912	0	37	-2.0	-104.81	325.63	4.92	-99.89
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300007572914	0	42	-2.0	-110.30	364.01	4.15	-106.15
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572915	1	34	-2.0	-110.60	318.89	6.55	-104.05
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300007572916	1	32	-2.0	-109.87	304.94	4.58	-105.29
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)S1	REAL300007572918	0	29	-2.0	-107.00	289.46	3.46	-103.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300007572919	0	39	-2.0	-127.68	337.13	7.30	-120.38
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300007572921	0	31	-2.0	-105.42	298.35	3.71	-101.71
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572922	1	38	-2.0	-112.53	342.60	5.70	-106.83
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572923	0	38	-2.0	-106.14	345.35	6.21	-99.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300007572924	0	41	-2.0	-107.70	352.06	5.94	-101.76
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300007572926	1	31	-2.0	-111.95	286.20	5.97	-105.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1Br	REAL300007572927	1	34	-2.0	-106.37	323.38	6.75	-99.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007572928	1	37	-2.0	-119.83	324.44	7.86	-111.97
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300007572929	0	38	-2.0	-113.78	343.10	6.43	-107.35
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300007572934	0	31	-2.0	-115.14	292.68	5.36	-109.78
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300007572936	1	30	-2.0	-111.81	296.63	4.41	-107.40
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300007572939	0	37	-2.0	-122.11	341.72	3.98	-118.13
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300007572951	0	32	-2.0	-110.26	309.50	6.33	-103.93
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007572952	1	50	-2.0	-114.27	395.26	9.18	-105.09
CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572954	1	33	-2.0	-109.80	293.54	1.92	-107.88
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300007572955	0	33	-2.0	-109.14	315.94	3.53	-105.61
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)=C1	REAL300007572958	0	32	-2.0	-108.83	313.98	6.00	-102.83
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300007572959	0	32	-2.0	-113.20	303.67	4.58	-108.62
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)=C1	REAL300007572960	1	32	-2.0	-108.94	311.17	4.65	-104.29
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572961	0	34	-2.0	-108.71	310.07	4.96	-103.75
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007572962	1	35	-2.0	-117.08	319.39	6.77	-110.31
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300007572963	1	37	-2.0	-105.07	344.55	5.50	-99.57
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572964	0	41	-2.0	-111.01	356.71	7.43	-103.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300007572965	1	39	-2.0	-112.52	356.11	7.92	-104.60
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572966	0	34	-2.0	-122.23	303.50	6.84	-115.39
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)=C1	REAL300007572967	0	29	-2.0	-111.63	307.18	3.80	-107.83
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572968	1	39	-2.0	-113.54	349.36	6.63	-106.91
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300007572969	0	38	-2.0	-111.20	342.49	5.81	-105.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300007572970	0	32	-2.0	-115.90	303.92	4.36	-111.54
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)=C1	REAL300007572971	1	34	-2.0	-108.51	328.32	7.79	-100.72
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)=C1	REAL300007572972	1	38	-2.0	-109.83	356.61	8.95	-100.88
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300007572973	0	27	-2.0	-106.74	293.02	3.00	-103.74
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300007572974	1	34	-2.0	-105.50	324.73	6.88	-98.62
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572975	0	41	-2.0	-106.74	352.45	6.16	-100.58
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300007572976	0	25	-2.0	-106.44	264.46	3.52	-102.92
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300007572977	0	25	-2.0	-104.02	274.48	4.53	-99.49
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007572978	0	42	-2.0	-118.09	370.50	5.30	-112.79
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)=C1	REAL300007572979	0	34	-2.0	-114.19	324.53	7.84	-106.35
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572980	0	36	-2.0	-105.68	317.95	2.75	-102.93
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300007572981	1	35	-2.0	-113.92	309.23	7.17	-106.75
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572984	0	31	-2.0	-108.22	308.39	2.68	-105.54
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300007572985	1	34	-2.0	-104.93	312.99	2.42	-102.51
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007572986	0	37	-2.0	-107.97	333.09	5.11	-102.86
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572987	0	37	-2.0	-108.90	329.27	4.75	-104.15
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007572990	0	33	-2.0	-107.10	319.78	7.06	-100.04
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300007572991	0	39	-2.0	-113.83	338.08	5.41	-108.42
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007572992	0	34	-2.0	-104.35	307.41	4.28	-100.07
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300007572993	0	35	-2.0	-105.13	318.38	5.13	-100.00
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300007572994	0	35	-2.0	-110.27	317.62	6.23	-104.04
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=N2)=C1	REAL300007572995	0	30	-2.0	-111.89	293.87	3.94	-107.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C=NN1C(C)C	REAL300007572997	0	37	-2.0	-108.61	330.16	4.75	-103.86
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=NC=CC3=CC=CC=C32)=C1	REAL300007572999	0	33	-2.0	-121.39	302.27	5.51	-115.88
CC1=CN=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300007573000	0	33	-2.0	-118.48	299.44	4.49	-113.99
COC1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007573005	0	31	-2.0	-115.17	292.03	2.36	-112.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C(C(F)F)=C1	REAL300007573006	1	35	-2.0	-116.15	316.13	5.60	-110.55
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300007573007	0	31	-2.0	-111.98	291.10	2.38	-109.60
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007573008	0	34	-2.0	-106.91	330.77	3.17	-103.74
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC=NC3=CC=CC=C32)=C1	REAL300007573009	1	33	-2.0	-110.87	302.31	5.41	-105.46
CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC=CC(C(=O)[O-])=C1	REAL300007573010	0	34	-2.0	-124.99	311.54	4.11	-120.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300007573011	0	36	-2.0	-127.42	323.40	6.18	-121.24
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=C1	REAL300007573012	0	32	-2.0	-118.09	299.42	4.97	-113.12
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=N2)=C1	REAL300007573014	0	30	-2.0	-114.45	294.80	3.92	-110.53
O=C([O-])C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)=C1	REAL300007573015	0	35	-2.0	-111.99	338.38	5.96	-106.03
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007573016	0	41	-2.0	-120.30	355.13	7.01	-113.29
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300007573646	1	37	-2.0	-127.82	314.64	5.90	-121.92
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300007573768	1	39	-2.0	-138.34	327.88	6.10	-132.24
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300007573813	1	37	-2.0	-130.19	316.04	4.20	-125.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300007573816	1	37	-2.0	-134.38	308.29	5.83	-128.55
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(N)=NO1	REAL300007573861	1	35	-2.0	-118.38	286.47	2.82	-115.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300007573892	0	36	-2.0	-147.63	306.81	4.29	-143.34
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C(C2=CC=CC=C2)O1	REAL300007573994	1	43	-2.0	-147.97	354.75	4.40	-143.57
O=C([O-])C1=CC=C(S(=O)(=O)NCCSCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007581918	0	41	-2.0	-137.22	387.72	8.17	-129.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSCC2=CC=CC=C2)=C1	REAL300007581922	1	35	-2.0	-94.80	358.26	5.48	-89.32
CC1=CC=C(CSCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007582088	1	38	-2.0	-94.97	379.67	6.15	-88.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSCC2=CC=CC=C2F)=C1	REAL300007582167	1	35	-2.0	-97.02	363.57	5.51	-91.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(OC(F)F)C=C2)=C1	REAL300007582295	1	35	-2.0	-97.27	352.82	3.71	-93.56
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSC2=CC=C(Cl)C=C2)=C1	REAL300007582486	1	32	-2.0	-91.59	349.09	5.10	-86.49
O=C([O-])C1=CC=C(S(=O)(=O)NCCSC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007582587	0	38	-2.0	-138.73	361.82	7.26	-131.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSC2=CC=CC=C2)=C1	REAL300007582591	1	32	-2.0	-94.69	332.36	4.58	-90.11
COC1=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=CC(OC)=C1OC	REAL300007582653	1	39	-2.0	-121.30	362.63	2.06	-119.24
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2F)C2CC2)C=C1C(=O)[O-]	REAL300007582769	0	41	-2.0	-140.35	357.87	8.97	-131.38
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300007582999	1	33	-2.0	-128.17	314.78	4.25	-123.92
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC2=CC=CC=C2O1	REAL300007583042	0	40	-2.0	-134.97	366.07	7.13	-127.84
CC1=NN(C2=CC=CC=C2)C(C)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007583107	1	40	-2.0	-126.09	368.11	5.05	-121.04
COC1=CC=C(OC)C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007583178	1	38	-2.0	-132.27	342.92	2.54	-129.73
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007583366	0	46	-2.0	-136.03	401.25	8.74	-127.29
CC1=CC=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007583370	1	40	-2.0	-95.72	371.82	6.05	-89.67
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC3=CC=CC=C3S2)=C1	REAL300007583556	1	33	-2.0	-100.22	345.23	3.55	-96.67
COC1=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=CC=C1OC(F)F	REAL300007583687	1	35	-2.0	-123.65	339.23	2.42	-121.23
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300007583792	0	40	-2.0	-140.31	369.08	5.48	-134.83
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C3OCOC3=C2)=C1	REAL300007583796	1	34	-2.0	-96.00	339.63	2.79	-93.21
CCOC1=CC2=C(C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])OC(C)C2	REAL300007583848	1	42	-2.0	-131.61	378.04	3.80	-127.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCNC2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007583936	1	35	-2.0	-96.99	352.63	3.22	-93.77
COC1=CC=C(C)C=C1CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007584183	0	44	-2.0	-137.36	386.65	8.00	-129.36
COC1=CC=C(C)C=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007584325	1	37	-2.0	-128.36	334.85	3.92	-124.44
COC1=CC=C(C)C=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007584366	0	44	-2.0	-139.57	384.37	6.73	-132.84
CC(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CS1	REAL300007584510	1	33	-2.0	-115.54	316.09	4.23	-111.31
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007584554	0	40	-2.0	-135.96	369.57	7.14	-128.82
COC1=CC=C(C)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007584672	0	44	-2.0	-136.14	392.73	6.85	-129.29
COC1=CC=C(C)C=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007584676	1	38	-2.0	-101.45	363.29	4.15	-97.30
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=C(F)C=C2)C2CC2)C=C1C(=O)[O-]	REAL300007584782	0	41	-2.0	-148.38	356.73	8.68	-139.70
O=C([O-])C1=CC=C(S(=O)(=O)NCC2COC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007584893	0	42	-2.0	-137.65	372.26	6.66	-130.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2COC3=CC=CC=C3C2)=C1	REAL300007584897	1	36	-2.0	-95.87	344.33	4.00	-91.87
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOCC2CC2)C=C1C(=O)[O-]	REAL300007585012	0	41	-2.0	-133.90	370.29	5.42	-128.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCC2CC2)=C1	REAL300007585016	1	35	-2.0	-94.16	340.85	2.73	-91.43
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300007585129	0	37	-2.0	-134.84	349.43	6.89	-127.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC(F)=C2)=C1	REAL300007585133	1	31	-2.0	-94.73	319.98	4.20	-90.53
CCOC1=C2OC(C(C)[N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])=CC2=CC=C1	REAL300007585188	1	40	-2.0	-136.21	366.14	4.48	-131.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2CCCCC2)C=C1C(=O)[O-]	REAL300007585348	0	47	-2.0	-134.21	400.53	6.51	-127.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2CCCCC2)=C1	REAL300007585352	1	41	-2.0	-94.34	371.09	3.82	-90.52
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007585551	0	43	-2.0	-138.69	377.98	8.06	-130.63
CC(C)COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007585677	0	43	-2.0	-135.40	380.24	5.34	-130.06
CC(C)COCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007585681	1	37	-2.0	-94.01	350.78	2.65	-91.36
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007585823	1	29	-2.0	-114.87	288.00	1.72	-113.15
CC1=NOC(C)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007585870	0	36	-2.0	-132.44	338.80	4.81	-127.63
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007585874	1	30	-2.0	-92.49	309.35	2.11	-90.38
CCC1=NC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007585985	0	39	-2.0	-135.36	365.96	6.36	-129.00
CN(CC1=CSC=N1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007586104	0	33	-2.0	-140.76	326.09	4.94	-135.82
C=CCSCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007586213	0	35	-2.0	-135.82	340.62	5.69	-130.13
C=CCSCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007586217	1	29	-2.0	-93.20	311.17	3.00	-90.20
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(C3CC3)=NO2)C=C1C(=O)[O-]	REAL300007586494	0	36	-2.0	-134.19	344.49	3.17	-131.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(C3CC3)=NO2)=C1	REAL300007586498	1	30	-2.0	-93.19	315.03	0.47	-92.72
COCCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007586734	0	37	-2.0	-135.53	336.38	4.75	-130.78
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2=CC=CC=C2Cl)=C1	REAL300007586819	1	35	-2.0	-97.58	360.68	4.08	-93.50
CC(C)COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CO1	REAL300007586844	1	41	-2.0	-124.31	368.02	5.50	-118.81
CC(C)COCC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CO1	REAL300007586849	1	44	-2.0	-102.53	390.69	3.92	-98.61
CC(C)COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CO1	REAL300007586850	1	41	-2.0	-99.42	378.40	4.93	-94.49
CC(C)COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007586851	1	41	-2.0	-126.37	362.24	2.84	-123.53
CC(C)COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CO1	REAL300007586854	1	41	-2.0	-104.25	370.89	4.18	-100.07
CC(C)COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CO1	REAL300007586858	1	41	-2.0	-104.25	370.89	4.18	-100.07
CC(C)COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CO1	REAL300007586860	1	41	-2.0	-105.81	379.32	4.81	-101.00
CC(C)COCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007586863	1	41	-2.0	-105.22	377.79	4.82	-100.40
CC(C)COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CO1	REAL300007586866	0	41	-2.0	-104.00	371.14	3.90	-100.10
CC(C)COCC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007586869	1	43	-2.0	-101.98	381.30	4.00	-97.98
CC(C)COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CO1	REAL300007586870	0	40	-2.0	-124.56	364.44	4.04	-120.52
CC(C)COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CO1	REAL300007586871	0	40	-2.0	-127.46	367.71	3.51	-123.95
CC(C)COCC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CO1	REAL300007586872	1	43	-2.0	-131.83	373.34	4.94	-126.89
CC(C)COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CO1	REAL300007586874	1	43	-2.0	-98.21	381.99	4.01	-94.20
CC(C)COCC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=CO1	REAL300007586888	1	47	-2.0	-100.80	413.72	6.60	-94.20
CC(C)COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CO1	REAL300007586889	1	44	-2.0	-118.84	380.40	4.23	-114.61
CC(C)COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CO1	REAL300007586891	0	41	-2.0	-126.04	363.35	4.65	-121.39
CC(C)COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007586893	1	41	-2.0	-126.37	362.24	2.84	-123.53
CC(C)COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CO1	REAL300007586894	1	44	-2.0	-118.84	380.40	4.23	-114.61
CC(C)COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CO1	REAL300007586895	1	43	-2.0	-109.41	382.35	3.92	-105.49
CC(C)COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CO1	REAL300007586897	0	41	-2.0	-100.42	385.79	4.45	-95.97
CC(C)COCC([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007586899	1	43	-2.0	-109.74	382.19	4.02	-105.72
CC(C)COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007586900	1	41	-2.0	-100.92	369.61	2.05	-98.87
CC(C)COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CO1	REAL300007586901	1	44	-2.0	-106.54	387.65	3.55	-102.99
CC(C)COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007586906	1	41	-2.0	-100.92	369.61	2.05	-98.87
CC(C)COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007586907	1	41	-2.0	-126.37	362.24	2.84	-123.53
CC(C)COCC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007586911	1	43	-2.0	-120.65	368.18	4.83	-115.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(CC3=CC=CC=C3)=NO2)=C1	REAL300007586968	1	36	-2.0	-92.91	365.03	2.57	-90.34
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300007587002	1	30	-2.0	-99.72	292.32	1.70	-98.02
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007587017	1	35	-2.0	-90.60	327.61	3.89	-86.71
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300007587019	1	30	-2.0	-99.29	292.37	1.99	-97.30
CC1=NOC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007587020	0	26	-2.0	-115.57	267.65	1.12	-114.45
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007587021	1	26	-2.0	-120.53	269.80	0.60	-119.93
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007587044	1	32	-2.0	-107.80	307.94	4.45	-103.35
CC1=NOC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007587046	1	32	-2.0	-107.20	307.92	4.45	-102.75
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007587056	1	30	-2.0	-99.04	292.06	1.83	-97.21
CC1=NOC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007587062	0	33	-2.0	-133.30	318.45	4.22	-129.08
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007587065	1	27	-2.0	-93.25	289.00	1.51	-91.74
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007587073	1	33	-2.0	-98.26	315.10	4.52	-93.74
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007587079	1	27	-2.0	-109.01	290.21	3.28	-105.73
CCN1C2=CC=CC=C2N=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007587141	1	40	-2.0	-100.27	382.64	5.35	-94.92
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300007587222	1	34	-2.0	-96.28	345.36	5.86	-90.42
CC1=CC(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C(C)O1	REAL300007587459	1	33	-2.0	-124.18	309.11	3.31	-120.87
CC1=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C)O1	REAL300007587505	0	40	-2.0	-137.73	360.79	6.25	-131.48
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300007587624	0	37	-2.0	-136.09	355.73	6.94	-129.15
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(F)C(F)=C2)=C1	REAL300007587628	1	31	-2.0	-91.92	326.28	4.25	-87.67
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC2CCCO2)C=C1C(=O)[O-]	REAL300007587742	0	42	-2.0	-143.90	373.91	3.55	-140.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2CCCO2)=C1	REAL300007587746	1	36	-2.0	-101.14	344.69	0.83	-100.31
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC2CC2)C=C1C(=O)[O-]	REAL300007587848	0	38	-2.0	-138.95	348.50	4.68	-134.27
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2CC2)=C1	REAL300007587852	1	32	-2.0	-96.95	319.28	1.97	-94.98
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)S1	REAL300007587960	0	38	-2.0	-135.72	328.66	6.94	-128.78
CC(CC(C)(C)C1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007588061	1	43	-2.0	-94.93	373.88	6.93	-88.00
COC1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2=C1	REAL300007588159	0	42	-2.0	-137.85	369.15	7.41	-130.44
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007588272	0	44	-2.0	-140.55	373.51	8.39	-132.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC3=CC=CC=C32)=C1	REAL300007588276	1	38	-2.0	-100.11	345.79	5.84	-94.27
C#CCN(CC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007588377	0	39	-2.0	-135.83	368.51	9.22	-126.61
C#CCN(CC1=CC=CO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007588565	0	36	-2.0	-136.14	346.41	7.47	-128.67
C#CCN(C1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007588681	0	42	-2.0	-136.13	363.06	8.54	-127.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C3OCCCOC3=C2)=C1	REAL300007588816	1	37	-2.0	-95.75	354.91	3.28	-92.47
CCN(C1CCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007588972	0	40	-2.0	-134.54	331.74	7.18	-127.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCSCC2)C=C1C(=O)[O-]	REAL300007589081	0	38	-2.0	-133.89	343.96	6.12	-127.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCSCC2)=C1	REAL300007589085	1	32	-2.0	-92.42	314.93	3.45	-88.97
CC1=CC=C2C(=C1)CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007589238	0	38	-2.0	-134.99	341.32	8.62	-126.37
CC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300007589346	0	37	-2.0	-134.78	356.97	7.13	-127.65
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2=CC=CC=C2C1	REAL300007589464	0	41	-2.0	-144.26	349.66	7.47	-136.79
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC2=CC=CC=C2C1	REAL300007589468	1	35	-2.0	-96.42	326.01	5.38	-91.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(OCC3CC3)C2)C=C1C(=O)[O-]	REAL300007589615	0	45	-2.0	-137.69	386.53	7.53	-130.16
O=C([O-])C1=CC=C(S(=O)(=O)NCCN2C=CC=C2)C=C1C(=O)[O-]	REAL300007589710	0	35	-2.0	-138.55	328.80	5.93	-132.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCN2C=CC=C2)=C1	REAL300007589713	1	29	-2.0	-91.25	299.36	3.24	-88.01
CCCC(CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007589823	1	43	-2.0	-97.74	394.21	7.39	-90.35
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2CCOCC2)C=C1C(=O)[O-]	REAL300007589924	0	45	-2.0	-134.34	391.72	4.12	-130.22
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2CCOCC2)=C1	REAL300007589928	1	39	-2.0	-94.87	362.28	1.43	-93.44
CCC(O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007590034	0	40	-2.0	-135.48	357.19	2.89	-132.59
CCC(O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007590038	1	34	-2.0	-95.67	327.73	0.22	-95.45
CC(O)CC(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007590146	0	43	-2.0	-134.22	363.20	3.52	-130.70
CC(O)CC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007590150	1	37	-2.0	-98.81	336.37	0.86	-97.95
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(Cl)C=C1	REAL300007590313	1	35	-2.0	-95.26	361.88	3.78	-91.48
CC1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007590451	0	41	-2.0	-137.65	347.22	8.67	-128.98
CCC(CC)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007590662	0	42	-2.0	-137.80	327.55	5.66	-132.14
CCC(CC)(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007590664	1	36	-2.0	-93.83	307.71	4.01	-89.82
CCOC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C12CCC2	REAL300007590767	0	45	-2.0	-136.25	388.60	6.36	-129.89
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C12CCC2	REAL300007590771	1	39	-2.0	-97.55	360.90	3.77	-93.78
CC1(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CCCOC21	REAL300007590883	0	45	-2.0	-135.96	363.92	6.52	-129.44
CC1(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2CCCOC21	REAL300007590887	1	39	-2.0	-96.96	345.88	3.29	-93.67
CC1(C)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007591113	0	43	-2.0	-135.02	339.61	8.00	-127.02
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C)C2=CC=CC=C2C(F)(F)F)O1	REAL300007591166	1	37	-2.0	-105.30	338.37	5.33	-99.97
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300007591183	1	33	-2.0	-124.13	314.03	4.58	-119.55
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(C)C2=CC=CC=C2C(F)(F)F)=C1	REAL300007591199	1	37	-2.0	-109.43	338.10	5.45	-103.98
CC1=CSC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2CC2)=N1	REAL300007591298	1	34	-2.0	-100.98	333.30	3.13	-97.85
CC1=CSC(C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2CC2)=N1	REAL300007591302	0	33	-2.0	-121.54	329.25	2.92	-118.62
CC1=CSC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2CC2)=N1	REAL300007591303	1	33	-2.0	-131.44	331.25	2.77	-128.67
CC1=CSC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2CC2)=N1	REAL300007591335	1	34	-2.0	-123.75	326.89	3.81	-119.94
CC1=CSC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CC2)=N1	REAL300007591340	0	40	-2.0	-142.40	378.08	5.87	-136.53
CC1=CSC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2CC2)=N1	REAL300007591344	1	34	-2.0	-96.43	348.52	3.64	-92.79
CC1=CSC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C2CC2)=N1	REAL300007591361	1	34	-2.0	-112.45	348.85	5.42	-107.03
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC1=CC=CS1	REAL300007591540	0	40	-2.0	-135.12	370.36	7.21	-127.91
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC1=CC=CS1	REAL300007591544	1	34	-2.0	-94.38	341.33	4.53	-89.85
CC(C)(COCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007591630	1	41	-2.0	-94.17	377.33	5.18	-88.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=C(F)C=C3F)CCC2)=C1	REAL300007591707	1	35	-2.0	-92.07	335.30	5.46	-86.61
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=C(F)C=C2O1	REAL300007591798	0	39	-2.0	-131.63	348.58	7.37	-124.26
CCC(CC1=CC=CC=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007591900	0	46	-2.0	-137.11	383.74	10.33	-126.78
CC1=CN=C(C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2CC2)S1	REAL300007591970	1	33	-2.0	-123.39	329.60	3.10	-120.29
CC1=CN=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2CC2)S1	REAL300007591971	1	33	-2.0	-129.46	331.62	2.96	-126.50
CC1=CN=C(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CC2)S1	REAL300007592008	0	40	-2.0	-134.25	373.69	6.27	-127.98
CC1=CN=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2CC2)S1	REAL300007592012	1	34	-2.0	-100.03	351.26	3.52	-96.51
CC1=CN=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C2CC2)S1	REAL300007592029	1	34	-2.0	-117.25	352.44	5.26	-111.99
CC1(C)C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC21	REAL300007592099	0	38	-2.0	-135.90	331.57	6.78	-129.12
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007592133	1	39	-2.0	-121.68	342.86	2.39	-119.29
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007592138	1	39	-2.0	-97.80	351.98	3.74	-94.06
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300007592139	1	42	-2.0	-100.54	370.21	4.22	-96.32
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007592145	1	39	-2.0	-97.80	351.98	3.74	-94.06
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300007592155	1	39	-2.0	-98.49	351.76	3.46	-95.03
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300007592157	1	42	-2.0	-99.95	369.79	4.48	-95.47
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007592159	0	38	-2.0	-117.69	345.07	3.60	-114.09
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007592160	1	38	-2.0	-121.39	348.96	3.17	-118.22
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)=C1	REAL300007592177	1	43	-2.0	-99.48	389.26	3.80	-95.68
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007592181	1	44	-2.0	-115.23	385.53	6.98	-108.25
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007592182	1	44	-2.0	-109.16	385.34	6.94	-102.22
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007592190	1	42	-2.0	-99.85	369.95	4.34	-95.51
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300007592192	1	39	-2.0	-121.40	344.43	4.23	-117.17
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007592195	1	39	-2.0	-121.68	342.86	2.39	-119.29
CCC(CC)C1=NOC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007592197	0	45	-2.0	-133.04	395.87	6.70	-126.34
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007592201	1	39	-2.0	-94.08	366.42	4.00	-90.08
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007592217	1	39	-2.0	-121.68	342.86	2.39	-119.29
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007592218	1	39	-2.0	-111.16	369.37	5.87	-105.29
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)SC1=CC=CC=C1	REAL300007592303	0	41	-2.0	-135.65	382.08	8.00	-127.65
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)SC1=CC=CC=C1	REAL300007592307	1	35	-2.0	-99.32	355.32	5.38	-93.94
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC1=CC=C(F)C=C1	REAL300007592407	0	41	-2.0	-134.87	376.09	6.35	-128.52
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=C(F)C=C1	REAL300007592411	1	35	-2.0	-94.90	346.31	3.60	-91.30
COC1=CC=CC(OC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007592504	1	39	-2.0	-100.25	369.26	2.86	-97.39
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=C(Cl)C=C1	REAL300007592593	1	35	-2.0	-94.95	356.62	4.06	-90.89
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC(F)=C1	REAL300007592694	0	41	-2.0	-135.64	376.27	6.35	-129.29
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC(F)=C1	REAL300007592698	1	35	-2.0	-99.06	346.18	3.63	-95.43
COC1=CC=CC=C1OC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007592791	1	39	-2.0	-103.70	369.14	3.43	-100.27
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC=C1F	REAL300007592885	0	41	-2.0	-145.87	375.40	6.34	-139.53
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC=C1F	REAL300007592889	1	35	-2.0	-102.24	346.12	3.62	-98.62
CC1=CC=CC(OC(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007592992	0	44	-2.0	-140.66	390.58	6.94	-133.72
CC1=CC=CC(OC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007592996	1	38	-2.0	-99.97	361.18	4.24	-95.73
CC1=CC=CC=C1OC(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007593102	0	44	-2.0	-139.88	389.25	7.02	-132.86
CC1=CC=CC=C1OC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007593106	1	38	-2.0	-98.85	359.97	4.30	-94.55
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C12CCCCC2	REAL300007593205	1	45	-2.0	-97.08	388.48	5.29	-91.79
CSC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOCC1	REAL300007593482	0	42	-2.0	-131.39	364.17	4.72	-126.67
CSC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOCC1	REAL300007593486	1	36	-2.0	-94.62	336.52	2.04	-92.58
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C12CCCCC2	REAL300007593651	1	45	-2.0	-97.08	388.48	5.29	-91.79
COC1=CC=C(C[N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1C(=O)[O-]	REAL300007593834	1	37	-2.0	-108.88	332.83	3.71	-105.17
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(OC)C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007593907	1	40	-2.0	-125.71	370.07	5.64	-120.07
COC1=CC=C(C[N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1C(=O)[O-]	REAL300007594006	0	36	-2.0	-106.55	327.29	2.12	-104.43
COC1=CC=C(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300007594038	1	37	-2.0	-125.62	346.82	3.74	-121.88
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300007594140	1	37	-2.0	-114.66	340.60	1.60	-113.06
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(OC)C(C(=O)[O-])=C2)C(F)=C1	REAL300007594151	1	39	-2.0	-119.49	357.73	4.33	-115.16
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300007594428	1	39	-2.0	-119.16	366.35	6.64	-112.52
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300007594469	1	37	-2.0	-116.16	355.69	4.64	-111.52
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300007594530	1	35	-2.0	-110.89	324.34	3.21	-107.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007594562	0	36	-2.0	-135.41	344.85	4.80	-130.61
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007594664	1	36	-2.0	-118.21	338.41	2.67	-115.54
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300007594675	1	38	-2.0	-126.65	355.84	5.38	-121.27
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C=C1	REAL300007594684	1	31	-2.0	-116.68	316.79	4.30	-112.38
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)C([N+](=O)[O-])=N1	REAL300007594993	1	36	-2.0	-131.71	347.15	5.84	-125.87
COC1=CC=CC(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)=C1	REAL300007598075	1	40	-2.0	-117.54	353.84	4.00	-113.54
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC(OC)=C2)C([N+](=O)[O-])=N1	REAL300007598128	1	43	-2.0	-128.42	389.52	5.85	-122.57
COC1=CC=CC(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)=C1	REAL300007598214	0	39	-2.0	-120.46	348.70	2.40	-118.06
COC1=CC=CC(C(CC(=O)[O-])[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300007598235	1	40	-2.0	-146.12	367.94	4.02	-142.10
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300007598323	1	40	-2.0	-128.07	361.70	1.89	-126.18
COC1=CC=CC(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300007598336	1	35	-2.0	-127.62	339.99	3.53	-124.09
CCCC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007600045	1	42	-2.0	-135.40	356.51	2.84	-132.56
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007600329	1	37	-2.0	-131.41	344.74	6.82	-124.59
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007600470	1	39	-2.0	-141.73	357.19	7.04	-134.69
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007600521	1	37	-2.0	-133.39	351.69	4.62	-128.77
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007600524	1	37	-2.0	-138.22	343.38	6.15	-132.07
CC1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007600574	1	35	-2.0	-121.67	314.96	3.72	-117.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007600607	0	36	-2.0	-142.68	340.74	4.75	-137.93
CC1=NC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007600714	1	43	-2.0	-151.88	384.58	5.32	-146.56
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007600727	1	36	-2.0	-134.02	329.26	3.23	-130.79
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007600738	1	38	-2.0	-141.38	346.52	5.91	-135.47
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300007603362	1	39	-2.0	-119.16	366.35	6.64	-112.52
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300007603403	1	37	-2.0	-116.16	355.69	4.64	-111.52
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300007603464	1	35	-2.0	-110.89	324.34	3.21	-107.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007603496	0	36	-2.0	-135.41	344.85	4.80	-130.61
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007603598	1	36	-2.0	-118.21	338.41	2.67	-115.54
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300007603609	1	38	-2.0	-126.65	355.84	5.38	-121.27
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C=C1	REAL300007603618	1	31	-2.0	-116.68	316.79	4.30	-112.38
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(N)=NO1	REAL300007604478	1	32	-2.0	-118.14	312.69	3.66	-114.48
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300007604493	1	33	-2.0	-128.72	328.89	3.09	-125.63
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC2=CC=CC=C2C1	REAL300007604616	1	38	-2.0	-133.79	338.17	7.19	-126.60
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)C([N+](=O)[O-])=N1	REAL300007604734	1	40	-2.0	-137.04	352.30	7.58	-129.46
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)C(C(F)(F)F)=N1	REAL300007604777	1	38	-2.0	-132.93	340.59	5.58	-127.35
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC2=CC=CC=C2C1	REAL300007604780	1	38	-2.0	-140.98	331.75	7.12	-133.86
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)C(N)=NO1	REAL300007604831	1	36	-2.0	-123.13	312.55	3.91	-119.22
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300007604859	0	37	-2.0	-151.03	331.89	5.65	-145.38
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)=C(C2=CC=CC=C2)O1	REAL300007604952	1	44	-2.0	-142.40	375.47	5.88	-136.52
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300007604963	1	37	-2.0	-136.19	322.70	3.60	-132.59
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)C(F)=C1	REAL300007604974	1	39	-2.0	-143.74	344.67	6.03	-137.71
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)C([N+](=O)[O-])=N1	REAL300007611460	1	40	-2.0	-146.67	350.58	7.30	-139.37
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)C(C(F)(F)F)=N1	REAL300007611506	1	38	-2.0	-139.29	341.07	5.54	-133.75
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)C(N)=NO1	REAL300007611565	1	36	-2.0	-128.34	307.56	4.08	-124.26
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300007611597	0	37	-2.0	-154.68	328.18	5.40	-149.28
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)=C(C2=CC=CC=C2)O1	REAL300007611692	1	44	-2.0	-144.44	375.93	5.82	-138.62
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300007611704	1	37	-2.0	-140.48	321.82	3.56	-136.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC3=CC=CC=C32)C(F)=C1	REAL300007611715	1	39	-2.0	-146.65	343.18	5.76	-140.89
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(N)=NO1	REAL300007612934	1	47	-2.0	-116.26	394.28	5.46	-110.80
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300007612968	1	48	-2.0	-129.19	408.39	4.98	-124.21
CC1=NC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007614085	1	39	-2.0	-119.66	331.69	2.17	-117.49
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(F)=C1	REAL300007614101	1	34	-2.0	-111.11	293.63	2.75	-108.36
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300007616005	1	42	-2.0	-106.57	376.88	2.11	-104.46
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007616049	0	43	-2.0	-121.65	382.54	0.82	-120.83
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007616063	1	31	-2.0	-129.87	291.31	4.43	-125.44
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007616179	1	33	-2.0	-139.59	307.28	4.69	-134.90
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007616228	1	31	-2.0	-131.98	296.53	2.77	-129.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=N1	REAL300007616287	0	30	-2.0	-151.72	283.45	2.64	-149.08
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007616371	1	37	-2.0	-147.21	331.19	2.94	-144.27
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1	REAL300007616386	1	32	-2.0	-140.19	293.13	3.52	-136.67
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300007616582	1	38	-2.0	-121.37	324.55	3.75	-117.62
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300007616724	1	40	-2.0	-116.84	334.08	3.93	-112.91
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300007616778	1	38	-2.0	-119.93	323.02	2.03	-117.90
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300007616781	1	38	-2.0	-129.29	318.14	3.68	-125.61
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(N)=NO1	REAL300007616831	1	36	-2.0	-109.50	295.45	0.68	-108.82
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300007616866	0	37	-2.0	-133.35	316.19	2.15	-131.20
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007616974	1	44	-2.0	-136.97	363.84	2.26	-134.71
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300007616987	1	37	-2.0	-119.42	308.66	0.14	-119.28
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(F)=C1	REAL300007616999	1	39	-2.0	-123.29	325.79	2.88	-120.41
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=CS2)CCOCC1	REAL300007617053	1	31	-2.0	-112.94	274.37	0.42	-112.52
CC(OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007617126	1	41	-2.0	-95.89	388.33	4.96	-90.93
COCCOCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007617230	0	41	-2.0	-138.48	372.27	3.10	-135.38
COCCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007617234	1	35	-2.0	-96.73	342.81	0.41	-96.32
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOCC2CCCO2)C=C1C(=O)[O-]	REAL300007617344	0	45	-2.0	-136.72	395.72	4.29	-132.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCC2CCCO2)=C1	REAL300007617348	1	39	-2.0	-98.15	366.26	1.60	-96.55
COC1=CC=C(OCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007617499	0	42	-2.0	-137.39	380.68	4.96	-132.43
COC1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007617503	1	36	-2.0	-97.73	351.46	2.26	-95.47
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007617737	0	41	-2.0	-137.33	372.99	6.41	-130.92
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2=CC=CC=C2)=C1	REAL300007617741	1	35	-2.0	-95.11	343.54	3.72	-91.39
CN(CCOC1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007617912	0	41	-2.0	-133.61	376.50	7.55	-126.06
CN(CCOC1=CC=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007618180	0	41	-2.0	-140.36	376.31	7.56	-132.80
CC1=CC=CC=C1OCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007618287	0	44	-2.0	-139.55	385.31	8.22	-131.33
CCNC(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007618401	0	43	-2.0	-137.46	371.95	4.65	-132.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCSC3=CC=C(F)C=C32)=C1	REAL300007618634	1	33	-2.0	-95.90	335.94	5.12	-90.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCCCC3C2)C=C1C(=O)[O-]	REAL300007618899	0	47	-2.0	-138.24	384.23	7.88	-130.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3CCCCC3C2)=C1	REAL300007618903	1	41	-2.0	-97.01	351.83	5.41	-91.60
CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007619026	0	39	-2.0	-149.30	355.82	2.49	-146.81
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300007619222	0	41	-2.0	-135.88	379.21	6.49	-129.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2=CC=CC=C2F)=C1	REAL300007619226	1	35	-2.0	-97.82	349.76	3.80	-94.02
CC1=CC=CC(OCCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007619335	0	44	-2.0	-136.18	394.38	7.09	-129.09
CC1=CC=CC(OCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007619339	1	38	-2.0	-95.39	364.95	4.40	-90.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007619437	1	31	-2.0	-90.83	330.80	4.34	-86.49
CN(C1CCCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007619546	0	43	-2.0	-134.35	351.72	7.79	-126.56
CN(C1CCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007619617	0	37	-2.0	-136.40	321.11	6.59	-129.81
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3)CCC2)C=C1C(=O)[O-]	REAL300007619720	0	41	-2.0	-136.87	349.05	7.57	-129.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3)CCC2)=C1	REAL300007619724	1	35	-2.0	-99.36	325.87	5.45	-93.91
CC(C1=CC=C(F)C=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007619838	0	40	-2.0	-134.24	358.81	8.75	-125.49
COC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007619993	0	42	-2.0	-140.84	358.08	7.72	-133.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2CN2C=CC=N2)=C1	REAL300007620075	1	38	-2.0	-105.44	367.45	5.09	-100.35
O=C([O-])C1=CC=C(S(=O)(=O)NCCCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007620209	0	43	-2.0	-136.32	386.02	8.38	-127.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC2=CC=CC=C2)=C1	REAL300007620213	1	37	-2.0	-94.90	356.56	5.70	-89.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCCC2)=C1	REAL300007620313	1	41	-2.0	-99.04	367.45	6.59	-92.45
CC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300007620481	0	37	-2.0	-135.02	348.23	6.73	-128.29
CCOC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007620594	0	44	-2.0	-138.20	388.88	6.95	-131.25
CC1=CC=CC=C1C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007620705	0	46	-2.0	-139.46	380.91	8.09	-131.37
CC1=CC=CC=C1C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007620709	1	40	-2.0	-98.52	354.62	5.39	-93.13
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC(Cl)=C1	REAL300007620802	1	37	-2.0	-93.77	361.23	5.66	-88.11
CC1=CC=CC(C(C)(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007620900	0	46	-2.0	-136.06	392.74	8.44	-127.62
CC1=CC=CC(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007620904	1	40	-2.0	-97.42	365.91	5.81	-91.61
COC1=CC=CC=C1C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007621002	1	41	-2.0	-99.94	368.98	4.81	-95.13
CN(CC1=CN=CC=N1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007621168	0	35	-2.0	-140.23	329.97	4.35	-135.88
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007621273	0	41	-2.0	-136.82	379.41	6.48	-130.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2=CC=C(F)C=C2)=C1	REAL300007621277	1	35	-2.0	-92.65	349.95	3.79	-88.86
CC1=CC=C(OCCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007621380	0	44	-2.0	-136.15	394.38	7.09	-129.06
CC1=CC=C(OCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007621384	1	38	-2.0	-95.16	364.94	4.40	-90.76
CSC1=CC=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007621490	0	38	-2.0	-138.12	356.54	8.55	-129.57
CC(COCC(F)(F)F)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007621599	0	37	-2.0	-136.36	352.06	4.22	-132.14
CC(COCC(F)(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007621603	1	31	-2.0	-97.25	322.10	1.82	-95.43
CCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007621718	0	43	-2.0	-135.50	377.74	7.99	-127.51
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007621722	1	37	-2.0	-96.70	349.84	5.33	-91.37
CC(C1CC1)N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007621896	0	41	-2.0	-136.60	339.49	8.13	-128.47
CC(C)N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007622027	0	37	-2.0	-136.10	317.31	7.00	-129.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2C2CCCC32)C=C1C(=O)[O-]	REAL300007622129	0	45	-2.0	-135.44	355.22	7.77	-127.67
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CC2C2CCCC32)=C1	REAL300007622133	1	39	-2.0	-98.86	332.23	5.37	-93.49
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC3CCC2C3)C=C1C(=O)[O-]	REAL300007622403	0	44	-2.0	-136.28	368.22	7.36	-128.92
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CC3CCC2C3)=C1	REAL300007622407	1	38	-2.0	-95.71	338.78	4.67	-91.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CCCO2)=C1	REAL300007622557	1	39	-2.0	-97.97	367.62	4.53	-93.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CCCC2)=C1	REAL300007622642	1	41	-2.0	-98.25	376.55	6.83	-91.42
CC1=CC=CC=C1CC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007622913	0	43	-2.0	-136.44	377.70	7.95	-128.49
CC1=CC=CC=C1CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007622917	1	37	-2.0	-96.24	344.66	5.49	-90.75
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)COCC1=CC=CC=C1	REAL300007623077	1	41	-2.0	-95.56	388.33	4.94	-90.62
CC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=CO1	REAL300007623119	1	27	-2.0	-120.86	271.12	1.64	-119.22
CC1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=CO1	REAL300007623158	0	34	-2.0	-134.67	323.36	4.79	-129.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2CC2CCCCC2)C=C1C(=O)[O-]	REAL300007623280	0	50	-2.0	-138.15	398.28	9.64	-128.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CS3)CCCC2)=C1	REAL300007623677	1	38	-2.0	-96.73	358.68	5.88	-90.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(N3C=NC=N3)CC2)C=C1C(=O)[O-]	REAL300007623779	0	40	-2.0	-137.54	355.11	7.97	-129.57
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300007623895	0	39	-2.0	-142.31	361.64	6.54	-135.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC3=CC=CN=C32)=C1	REAL300007623899	1	33	-2.0	-108.10	332.18	3.82	-104.28
COC1=CC=C(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007624042	1	41	-2.0	-96.64	373.97	4.44	-92.20
CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007624175	0	33	-2.0	-134.09	302.71	5.68	-128.41
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2CCCC2)C=C1C(=O)[O-]	REAL300007624386	0	44	-2.0	-134.04	383.33	5.94	-128.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2CCCC2)=C1	REAL300007624390	1	38	-2.0	-94.44	353.87	3.25	-91.19
CC(CCC1=CC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007625019	0	44	-2.0	-139.22	387.53	7.70	-131.52
CC(CCC1=CC=CN1C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007625023	1	38	-2.0	-94.12	355.15	5.23	-88.89
CC(C)C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007625139	0	43	-2.0	-134.32	356.37	7.73	-126.59
CC1CC1C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007625203	1	37	-2.0	-115.72	349.70	6.40	-109.32
CC1=CN=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007625361	1	26	-2.0	-126.39	277.43	0.88	-125.51
CC1=CN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)S1	REAL300007625362	1	26	-2.0	-124.87	279.58	0.35	-124.52
CC1=CN=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007625408	0	33	-2.0	-136.44	328.23	3.97	-132.47
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007625412	1	27	-2.0	-96.62	298.77	1.27	-95.35
CC1=CN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)S1	REAL300007625432	1	27	-2.0	-119.49	299.99	3.04	-116.45
CC1=CC(CC(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007625686	0	46	-2.0	-143.67	403.84	8.84	-134.83
CC1=CC(CC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC(C)=C1	REAL300007625690	1	40	-2.0	-97.24	371.64	6.38	-90.86
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC=C1Cl	REAL300007625782	1	35	-2.0	-99.73	355.91	4.10	-95.63
O=C([O-])C1=CC=C(S(=O)(=O)NCC(C2CC2)C2CC2)C=C1C(=O)[O-]	REAL300007625968	0	41	-2.0	-134.24	360.16	7.71	-126.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(C2CC2)C2CC2)=C1	REAL300007625972	1	35	-2.0	-95.88	335.02	4.71	-91.17
CN(CCC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007626082	0	37	-2.0	-138.66	350.68	7.71	-130.95
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC(Cl)=C1	REAL300007626180	1	35	-2.0	-98.39	356.50	4.08	-94.31
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC(Cl)=C1	REAL300007626262	1	35	-2.0	-94.48	358.39	4.04	-90.44
COC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(OC)=C1	REAL300007626353	0	42	-2.0	-135.74	379.23	6.13	-129.61
CN(CCC(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007626458	0	45	-2.0	-139.10	389.42	7.63	-131.47
CN(C1=CC=C2OCOC2=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007626624	0	37	-2.0	-137.51	343.17	6.15	-131.36
CN(CC1=CC2=CC=CC=C2O1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007626731	0	40	-2.0	-141.70	365.94	8.44	-133.26
CC1C(C2=CC=CC=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007626844	0	44	-2.0	-138.00	379.23	9.37	-128.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CCSC3CCCCC32)C=C1C(=O)[O-]	REAL300007626959	0	42	-2.0	-136.85	348.85	8.01	-128.84
CCC1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007627072	0	44	-2.0	-137.58	363.16	9.56	-128.02
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007627268	0	44	-2.0	-135.16	369.91	10.04	-125.12
COC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300007627362	0	38	-2.0	-135.20	362.66	7.35	-127.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007627464	0	42	-2.0	-141.17	351.67	6.90	-134.27
CCCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007627583	0	43	-2.0	-134.47	361.13	8.00	-126.47
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(OCC3CC3)CC2)C=C1C(=O)[O-]	REAL300007627791	0	45	-2.0	-141.45	386.96	7.53	-133.92
COCCOC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007627909	0	39	-2.0	-135.81	358.80	3.50	-132.31
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300007628016	0	44	-2.0	-141.06	363.67	9.66	-131.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCSC3(CCCCC3)C2)C=C1C(=O)[O-]	REAL300007628115	0	45	-2.0	-132.88	367.65	8.92	-123.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCCC3)CC2)C=C1C(=O)[O-]	REAL300007628221	0	50	-2.0	-136.26	374.27	9.52	-126.74
CC1=CC=CC2=C1N(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC2	REAL300007628401	0	38	-2.0	-138.93	326.31	8.42	-130.51
CC(C)C1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007628503	0	43	-2.0	-133.40	377.30	9.41	-123.99
COCCN(CC1=CC=C(C)O1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007628675	0	44	-2.0	-134.65	393.02	6.99	-127.66
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)CC(F)F)C=C1C(=O)[O-]	REAL300007628955	0	40	-2.0	-136.07	361.85	8.77	-127.30
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300007632112	1	36	-2.0	-129.74	323.84	4.84	-124.90
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300007632157	1	34	-2.0	-124.73	310.39	2.90	-121.83
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCC1	REAL300007632158	1	34	-2.0	-127.66	301.22	4.47	-123.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=N1	REAL300007632229	0	33	-2.0	-136.42	298.26	3.11	-133.31
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(C2=CC=CC=C2)O1	REAL300007632334	1	40	-2.0	-136.87	345.01	3.41	-133.46
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1	REAL300007632353	1	35	-2.0	-128.32	309.44	3.70	-124.62
CCN1C=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007632650	1	42	-2.0	-122.73	374.89	6.97	-115.76
CC1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C)C(=O)[O-])C(N)=NO1	REAL300007632752	1	38	-2.0	-119.46	334.96	3.69	-115.77
CC(C(=O)[O-])C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300007632784	1	39	-2.0	-130.56	353.99	5.19	-125.37
CCN1N=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300007632889	1	39	-2.0	-126.69	348.78	3.17	-123.52
COC1=CC(F)=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C)C(=O)[O-])C(F)=C1	REAL300007632900	1	41	-2.0	-133.07	353.79	6.06	-127.01
CC(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC=C1	REAL300007632909	1	34	-2.0	-118.58	313.98	4.43	-114.15
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O1	REAL300007636449	1	33	-2.0	-115.96	314.59	5.30	-110.66
CCN1C=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=C(C)O2)C([N+](=O)[O-])=N1	REAL300007636571	1	36	-2.0	-114.19	343.81	4.55	-109.64
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O1	REAL300007636617	1	39	-2.0	-114.43	359.06	4.45	-109.98
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=C(C)ON=C2N)O1	REAL300007636678	0	32	-2.0	-98.79	301.02	1.03	-97.76
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])O1	REAL300007636713	0	33	-2.0	-118.26	321.85	2.56	-115.70
CC1=NC(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=C(C)O2)=C(C2=CC=CC=C2)O1	REAL300007636821	1	40	-2.0	-115.71	367.81	2.85	-112.86
CCN1N=CC(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300007636834	1	33	-2.0	-105.25	314.20	0.51	-104.74
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=C(C)O2)C(F)=C1	REAL300007636844	1	35	-2.0	-109.08	331.47	3.23	-105.85
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)O1	REAL300007636856	1	30	-2.0	-102.26	320.82	1.64	-100.62
CC1=C(C(=O)[O-])C=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)O1	REAL300007636858	1	28	-2.0	-103.43	292.25	2.16	-101.27
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007638234	1	39	-2.0	-96.26	355.34	5.42	-90.84
CCN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007638375	1	41	-2.0	-103.56	369.49	5.84	-97.72
CN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007638428	1	39	-2.0	-98.77	357.80	3.80	-94.97
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007638431	1	39	-2.0	-101.78	348.93	5.35	-96.43
CC1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(N)=NO1	REAL300007638480	1	37	-2.0	-90.83	325.60	2.36	-88.47
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007638516	0	38	-2.0	-112.00	347.52	3.86	-108.14
CC1=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007638627	1	45	-2.0	-110.07	395.22	3.93	-106.14
CCN1N=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007638640	1	38	-2.0	-98.13	340.02	1.80	-96.33
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(F)=C1	REAL300007638651	1	40	-2.0	-102.27	357.16	4.54	-97.73
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300007638866	1	37	-2.0	-100.51	326.85	4.89	-95.62
O=C([O-])CSCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007642292	1	31	-2.0	-97.38	313.87	3.64	-93.74
CCN1C=C(S(=O)(=O)[N-]CCSCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007642428	1	33	-2.0	-105.41	328.02	4.06	-101.35
CN1C=C(S(=O)(=O)[N-]CCSCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007642480	1	31	-2.0	-100.27	316.34	2.02	-98.25
O=C([O-])CSCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007642481	1	31	-2.0	-102.97	307.46	3.57	-99.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCSCC(=O)[O-])=N1	REAL300007642559	0	30	-2.0	-113.47	306.05	2.08	-111.39
CC1=NC(S(=O)(=O)[N-]CCSCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007642665	1	37	-2.0	-111.44	353.75	2.15	-109.29
COC1=CC(F)=C(S(=O)(=O)[N-]CCSCC(=O)[O-])C(F)=C1	REAL300007642684	1	32	-2.0	-103.64	315.69	2.76	-100.88
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC1=CC=CC(F)=C1	REAL300007642831	1	40	-2.0	-127.92	376.09	6.74	-121.18
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)CC1=CC=CC(F)=C1	REAL300007642956	1	40	-2.0	-130.09	360.49	6.63	-123.46
CC1=C(S(=O)(=O)[N-]CC(CC2=CC=CC(F)=C2)C(=O)[O-])C(N)=NO1	REAL300007643005	1	38	-2.0	-113.71	346.38	3.67	-110.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300007643025	0	39	-2.0	-137.31	359.07	5.14	-132.17
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300007643109	1	39	-2.0	-128.97	360.76	3.12	-125.85
CC1=CC=CC(CC(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300007643243	1	43	-2.0	-129.27	391.09	7.34	-121.93
CCN1C=C(S(=O)(=O)[N-]CC(CC2=CC=CC(C)=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007643340	1	45	-2.0	-142.61	405.23	7.76	-134.85
CC1=CC=CC(CC(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300007643378	1	43	-2.0	-131.21	375.48	7.23	-123.98
CC1=C(S(=O)(=O)[N-]CC(CC2=CC(C)=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007643430	1	41	-2.0	-114.20	352.11	4.23	-109.97
CC1=CC=CC(CC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300007643452	0	42	-2.0	-144.86	383.26	5.77	-139.09
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC=CC(C)=C2)C(=O)[O-])=N1	REAL300007643543	1	42	-2.0	-124.43	366.57	3.68	-120.75
COC1=CC(F)=C(S(=O)(=O)[N-]CC(CC2=CC=CC(C)=C2)C(=O)[O-])C(F)=C1	REAL300007643553	1	44	-2.0	-135.44	392.88	6.45	-128.99
CC1=CC=C(CC(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300007643683	1	43	-2.0	-122.88	381.89	7.31	-115.57
CCN1C=C(S(=O)(=O)[N-]CC(CC2=CC=C(C)C=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007643780	1	45	-2.0	-131.90	394.14	7.81	-124.09
CC1=CC=C(CC(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300007643818	1	43	-2.0	-129.73	378.24	7.17	-122.56
CC1=C(S(=O)(=O)[N-]CC(CC2=CC=C(C)C=C2)C(=O)[O-])C(N)=NO1	REAL300007643870	1	41	-2.0	-112.38	352.15	4.25	-108.13
CC1=CC=C(CC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007643892	0	42	-2.0	-144.88	381.97	5.87	-139.01
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC=C(C)C=C2)C(=O)[O-])=N1	REAL300007643983	1	42	-2.0	-125.31	369.34	3.62	-121.69
COC1=CC(F)=C(S(=O)(=O)[N-]CC(CC2=CC=C(C)C=C2)C(=O)[O-])C(F)=C1	REAL300007643993	1	44	-2.0	-134.98	392.94	6.46	-128.52
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300007644185	1	37	-2.0	-100.51	326.85	4.89	-95.62
CCN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007644326	1	39	-2.0	-108.19	340.99	5.31	-102.88
CN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007644379	1	37	-2.0	-102.93	329.33	3.27	-99.66
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300007644382	1	37	-2.0	-106.29	320.45	4.82	-101.47
CC1=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(N)=NO1	REAL300007644431	1	35	-2.0	-100.55	294.49	2.09	-98.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300007644466	0	36	-2.0	-114.84	317.77	3.38	-111.46
CC1=NC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007644576	1	43	-2.0	-114.79	366.73	3.41	-111.38
CCN1N=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300007644589	1	36	-2.0	-101.71	311.39	1.30	-100.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300007644600	1	38	-2.0	-111.96	323.60	4.26	-107.70
CC1=CC=C(C(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300007644777	1	40	-2.0	-128.76	367.04	6.48	-122.28
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)C([N+](=O)[O-])=N1	REAL300007644902	1	42	-2.0	-143.57	381.17	6.90	-136.67
CC1=CC=C(C(C[N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300007644945	1	40	-2.0	-134.53	370.84	4.92	-129.61
CC1=CC=C(C(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300007644948	1	40	-2.0	-137.24	360.45	6.63	-130.61
CCN1C=C(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007646043	1	40	-2.0	-111.78	373.82	5.86	-105.92
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007646084	1	38	-2.0	-105.62	362.14	3.81	-101.81
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)C(N)=NO1	REAL300007646142	1	36	-2.0	-96.27	331.04	2.35	-93.92
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300007646174	0	37	-2.0	-115.10	350.57	3.96	-111.14
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300007646276	1	37	-2.0	-102.90	344.21	1.83	-101.07
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300007646287	1	39	-2.0	-106.30	361.48	4.55	-101.75
CC1=C(S(=O)(=O)[N-]CC2=CC=C(OCCCC(=O)[O-])C=C2)C(N)=NO1	REAL300007646530	1	42	-2.0	-87.96	372.38	3.26	-84.70
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(OCCCC(=O)[O-])C=C2)=N1	REAL300007646546	0	43	-2.0	-105.10	393.04	4.85	-100.25
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(OCCCC(=O)[O-])C=C2)=N1	REAL300007646604	1	43	-2.0	-94.46	386.65	2.72	-91.74
CC(C)CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007647422	1	39	-2.0	-120.59	343.92	4.93	-115.66
CCN1C=C(S(=O)(=O)[N-]CC(CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007647563	1	41	-2.0	-138.56	363.02	5.38	-133.18
CC(C)CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007647616	1	39	-2.0	-123.11	344.24	3.37	-119.74
CC(C)CC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007647619	1	39	-2.0	-127.30	337.50	4.86	-122.44
CC1=C(S(=O)(=O)[N-]CC(CC(C)C)C(=O)[O-])C(N)=NO1	REAL300007647668	1	37	-2.0	-115.27	319.19	1.92	-113.35
CC(C)CC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007647704	0	38	-2.0	-140.95	341.05	3.40	-137.55
CC1=NC(S(=O)(=O)[N-]CC(CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007647815	1	45	-2.0	-143.71	388.65	3.49	-140.22
CCN1N=CC(S(=O)(=O)[N-]CC(CC(C)C)C(=O)[O-])=N1	REAL300007647828	1	38	-2.0	-125.42	333.56	1.34	-124.08
COC1=CC(F)=C(S(=O)(=O)[N-]CC(CC(C)C)C(=O)[O-])C(F)=C1	REAL300007647839	1	40	-2.0	-128.18	346.09	4.18	-124.00
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(C2=CC=CC=C2)O1	REAL300007654049	1	37	-2.0	-141.53	323.08	3.06	-138.47
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(F)=C1	REAL300007654064	1	32	-2.0	-134.88	287.88	3.39	-131.49
CCCCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007654262	1	39	-2.0	-128.77	349.42	6.15	-122.62
CCCCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007654403	1	41	-2.0	-134.18	363.57	6.58	-127.60
CCCCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007654456	1	39	-2.0	-129.25	352.04	4.54	-124.71
CCCCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007654459	1	39	-2.0	-134.66	341.08	6.14	-128.52
CCCCCC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007654508	1	37	-2.0	-119.49	319.69	3.05	-116.44
CCCCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007654544	0	38	-2.0	-150.52	341.59	4.61	-145.91
CCCCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007654655	1	45	-2.0	-144.01	393.80	4.06	-139.95
CCCCCC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300007654668	1	38	-2.0	-128.40	332.04	2.61	-125.79
CCCCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007654679	1	40	-2.0	-138.55	351.24	5.25	-133.30
CNS(=O)(=O)C1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007654766	1	32	-2.0	-122.66	339.77	-1.74	-124.40
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007654833	0	35	-2.0	-134.78	312.81	4.35	-130.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007654937	0	41	-2.0	-141.26	351.39	8.42	-132.84
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007655027	1	32	-2.0	-91.38	338.07	3.13	-88.25
CC1=CSC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007655084	1	26	-2.0	-126.01	277.32	0.67	-125.34
CC1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007655085	1	26	-2.0	-124.40	279.46	0.15	-124.25
CC1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007655126	1	27	-2.0	-121.93	276.21	1.27	-120.66
CC1=CSC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007655131	0	33	-2.0	-136.36	328.11	3.76	-132.60
CC1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007655135	1	27	-2.0	-96.31	298.66	1.07	-95.24
CC1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007655155	1	27	-2.0	-118.97	299.87	2.84	-116.13
CC1=CC=C(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CC2)C=C1	REAL300007655243	0	44	-2.0	-139.16	393.18	8.91	-130.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCC2)C=C1C(=O)[O-]	REAL300007655356	0	44	-2.0	-135.20	383.25	8.42	-126.78
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCC2)=C1	REAL300007655360	1	38	-2.0	-96.41	356.14	5.75	-90.66
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300007655474	0	41	-2.0	-134.37	372.23	8.08	-126.29
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CC2)=C1	REAL300007655478	1	35	-2.0	-95.61	341.62	5.44	-90.17
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C([N+](=O)[O-])C=C32)C=C1C(=O)[O-]	REAL300007655679	0	37	-2.0	-152.72	348.07	8.62	-144.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300007655775	1	34	-2.0	-95.18	347.63	3.82	-91.36
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300007655942	0	40	-2.0	-136.56	377.59	8.07	-128.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007656132	0	41	-2.0	-136.31	369.43	9.18	-127.13
CC1=NC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCCCC2)=NO1	REAL300007656326	1	39	-2.0	-119.07	331.96	5.10	-113.97
CC1=NC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656333	1	39	-2.0	-124.11	324.03	1.96	-122.15
CC1=NC(C2([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCCCC2)=NO1	REAL300007656338	1	39	-2.0	-104.16	334.70	3.51	-100.65
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CCCCC2)=NO1	REAL300007656339	1	42	-2.0	-106.21	354.55	4.03	-102.18
CC1=NC(C2([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCCCC2)=NO1	REAL300007656345	1	39	-2.0	-104.16	334.70	3.51	-100.65
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCCCC2)=NO1	REAL300007656348	1	39	-2.0	-104.98	343.51	3.91	-101.07
CC1=NC(C2([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCCCC2)=NO1	REAL300007656351	1	39	-2.0	-106.20	341.53	4.08	-102.12
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCCCC2)=NO1	REAL300007656354	1	39	-2.0	-104.50	334.89	3.15	-101.35
CC1=NC(C2([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CCCCC2)=NO1	REAL300007656356	1	42	-2.0	-104.41	352.98	4.30	-100.11
CC1=NC(C2([N-]S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCCCC2)=NO1	REAL300007656357	1	41	-2.0	-99.68	345.11	3.34	-96.34
CC1=NC(C2([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656358	0	38	-2.0	-125.45	329.76	3.06	-122.39
CC1=NC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCCCC2)=NO1	REAL300007656359	1	38	-2.0	-129.95	332.33	2.82	-127.13
CC1=NC(C2([N-]S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656360	1	41	-2.0	-133.11	336.99	3.90	-129.21
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]C1(C2=NOC(C)=N2)CCCCC1	REAL300007656368	1	42	-2.0	-124.55	350.54	5.58	-118.97
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)CCCCC2)=NO1	REAL300007656381	1	42	-2.0	-107.59	352.58	4.00	-103.59
CC1=NC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCCCC2)=NO1	REAL300007656383	1	39	-2.0	-128.41	331.24	3.41	-125.00
CC1=NC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656386	1	39	-2.0	-124.11	324.03	1.96	-122.15
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CCCCC2)=NO1	REAL300007656388	1	41	-2.0	-108.33	346.10	3.17	-105.16
CC1=NC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCCCC2)=NO1	REAL300007656390	0	39	-2.0	-100.38	349.54	3.69	-96.69
CC1=NC(C2([N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCCCC2)=NO1	REAL300007656393	1	39	-2.0	-100.43	333.43	1.41	-99.02
CC1=NC(C2([N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCCCC2)=NO1	REAL300007656401	1	39	-2.0	-100.43	333.43	1.41	-99.02
CC1=NC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656403	1	39	-2.0	-124.11	324.03	1.96	-122.15
CC1=NC(C2([N-]S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCCCC2)=NO1	REAL300007656407	1	41	-2.0	-115.66	332.84	4.58	-111.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(C=CS3)C2)C=C1C(=O)[O-]	REAL300007656494	0	35	-2.0	-137.76	330.14	7.24	-130.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2OC(F)F)=C1	REAL300007656635	1	32	-2.0	-99.06	330.26	2.95	-96.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300007656714	1	38	-2.0	-97.98	372.40	5.32	-92.66
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CC2)C2CC2)C=C1C(=O)[O-]	REAL300007656977	0	38	-2.0	-136.23	334.99	6.99	-129.24
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CC2)C2CC2)=C1	REAL300007656980	1	32	-2.0	-94.69	309.03	4.58	-90.11
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(F)(F)F)C1	REAL300007657011	1	34	-2.0	-120.66	303.86	2.41	-118.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)O1	REAL300007657016	1	34	-2.0	-98.27	312.49	3.72	-94.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)O1	REAL300007657017	1	37	-2.0	-99.78	330.71	4.19	-95.59
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)O1	REAL300007657023	1	34	-2.0	-98.27	312.49	3.72	-94.55
O=C([O-])C1=COC(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C1	REAL300007657033	1	34	-2.0	-95.10	309.00	3.76	-91.34
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C1CCCC(C(F)(F)F)C1	REAL300007657037	1	33	-2.0	-112.74	306.00	3.74	-109.00
O=C([O-])C1=C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)SC=N1	REAL300007657038	1	33	-2.0	-122.39	308.19	3.09	-119.30
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C1	REAL300007657070	1	37	-2.0	-100.56	330.45	4.32	-96.24
O=C([O-])C1=C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)OC=C1	REAL300007657072	1	34	-2.0	-120.24	304.95	4.20	-116.04
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(F)(F)F)C1	REAL300007657075	1	34	-2.0	-120.66	303.86	2.41	-118.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300007657077	0	40	-2.0	-135.29	357.79	6.41	-128.88
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C1	REAL300007657081	0	34	-2.0	-93.25	327.38	4.01	-89.24
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(F)(F)F)C1	REAL300007657097	1	34	-2.0	-120.66	303.86	2.41	-118.25
NC(=O)NC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007657177	0	40	-2.0	-145.91	370.77	2.11	-143.80
CC(C1=CC=C(F)C(F)=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007657279	0	40	-2.0	-147.59	365.74	8.41	-139.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007657464	0	44	-2.0	-136.85	380.91	9.61	-127.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300007657574	0	40	-2.0	-136.38	357.85	6.42	-129.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)=C1	REAL300007657578	1	34	-2.0	-92.29	327.39	4.00	-88.29
CC1=NC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007657688	0	36	-2.0	-141.39	349.27	4.54	-136.85
CC1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CS1	REAL300007657692	1	30	-2.0	-99.44	319.82	1.86	-97.58
CN(C1CCC2=CC=CC=C21)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007657896	0	41	-2.0	-135.08	360.58	8.83	-126.25
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCCO2)C=C1C(=O)[O-]	REAL300007658002	0	38	-2.0	-139.89	339.54	4.13	-135.76
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCCO2)=C1	REAL300007658006	1	32	-2.0	-97.98	310.08	1.44	-96.54
COC1=CC2=C(C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])OC(C)C2	REAL300007658061	1	39	-2.0	-130.55	356.00	2.86	-127.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(Br)C=C2)=C1	REAL300007658157	1	28	-2.0	-91.69	313.36	3.96	-87.73
CN(CC1=CC=C(F)C=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007658257	0	37	-2.0	-136.67	341.20	7.61	-129.06
COC1=CC=C(OC)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007658327	1	35	-2.0	-129.19	328.65	1.55	-127.64
COC1=CC=C(OC)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007658367	0	42	-2.0	-138.65	379.43	4.64	-134.01
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007658591	0	38	-2.0	-135.52	334.30	5.17	-130.35
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007658741	0	42	-2.0	-136.41	371.72	7.44	-128.97
CN(CC1=NC2=CC=CC=C2N1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007658888	0	40	-2.0	-146.55	363.46	7.01	-139.54
CN(CC1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007659007	0	43	-2.0	-135.11	356.92	8.41	-126.70
CC1=NC=C2CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCC2=N1	REAL300007659118	0	42	-2.0	-139.24	370.82	5.59	-133.65
CC1=NC=C2CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCC2=N1	REAL300007659122	1	36	-2.0	-93.64	340.50	3.15	-90.49
COC1=CC=C(C(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007659229	0	44	-2.0	-136.06	381.89	7.99	-128.07
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC(F)(F)F)C=C1C(=O)[O-]	REAL300007659346	0	34	-2.0	-142.75	336.40	3.57	-139.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC(F)(F)F)=C1	REAL300007659350	1	28	-2.0	-96.23	307.18	0.84	-95.39
CC1=CC(C)=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007659463	0	43	-2.0	-135.32	377.52	7.73	-127.59
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC(F)=CC(F)=C2)C=C1C(=O)[O-]	REAL300007659667	0	37	-2.0	-137.12	355.85	6.95	-130.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC(F)=CC(F)=C2)=C1	REAL300007659671	1	31	-2.0	-91.04	326.39	4.27	-86.77
CN(CC1CCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007659813	0	40	-2.0	-134.47	339.42	7.70	-126.77
CC(C)C1=NC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007659934	0	42	-2.0	-139.65	390.83	5.83	-133.82
CC(C)C1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CS1	REAL300007659938	1	36	-2.0	-98.48	361.38	3.14	-95.34
CCC1=NC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007660046	0	39	-2.0	-142.50	370.76	5.29	-137.21
CCC1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CS1	REAL300007660050	1	33	-2.0	-99.75	341.30	2.61	-97.14
O=C([O-])C1=CC=C(S(=O)(=O)NC2COC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007660187	0	36	-2.0	-138.63	334.65	5.10	-133.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2COC3=CC=CC=C32)=C1	REAL300007660191	1	30	-2.0	-95.44	302.88	2.59	-92.85
CC1=NOC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007660553	0	35	-2.0	-139.21	334.58	2.42	-136.79
CC1=NOC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007660557	1	29	-2.0	-92.10	305.14	-0.28	-92.38
CCC1=CC=CC2=C1N(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC2	REAL300007660706	0	41	-2.0	-141.40	347.68	9.24	-132.16
CN(C(C1CC1)C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007660813	0	41	-2.0	-138.83	348.72	8.26	-130.57
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NN=C(C3=CC=CC=C3)N2)=C1	REAL300007660912	1	34	-2.0	-100.42	346.32	3.65	-96.77
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=N1	REAL300007660973	1	29	-2.0	-115.70	284.07	0.85	-114.85
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=N1	REAL300007660978	1	32	-2.0	-95.80	304.77	-0.76	-96.56
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300007660979	1	29	-2.0	-92.67	292.47	0.24	-92.43
CC1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007660980	1	29	-2.0	-117.45	276.32	-1.84	-119.29
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=N1	REAL300007660984	1	32	-2.0	-113.43	306.79	2.51	-110.92
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007660985	1	29	-2.0	-96.93	284.96	-0.51	-97.44
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300007660986	1	32	-2.0	-98.23	303.19	-0.03	-98.26
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007660991	1	29	-2.0	-96.93	284.96	-0.51	-97.44
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300007660994	1	29	-2.0	-96.92	293.39	0.13	-96.79
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300007660998	1	29	-2.0	-98.18	291.85	0.15	-98.03
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=N1	REAL300007660999	1	35	-2.0	-111.33	328.76	3.00	-108.33
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007661001	1	35	-2.0	-125.19	327.76	3.45	-121.74
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=N1	REAL300007661003	1	37	-2.0	-88.54	338.46	2.14	-86.40
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007661004	0	29	-2.0	-96.42	285.21	-0.77	-97.19
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300007661006	1	32	-2.0	-96.68	303.24	0.26	-96.42
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=N1	REAL300007661007	1	31	-2.0	-93.82	295.38	-0.68	-94.50
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007661008	0	28	-2.0	-117.79	278.52	-0.64	-118.43
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007661009	0	28	-2.0	-116.71	280.67	-1.19	-117.90
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=N1	REAL300007661010	1	31	-2.0	-124.59	287.45	0.27	-124.32
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=N1	REAL300007661012	1	31	-2.0	-92.06	296.07	-0.67	-92.73
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007661013	1	32	-2.0	-95.58	316.94	1.62	-93.96
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300007661014	1	32	-2.0	-95.97	321.50	1.72	-94.25
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007661019	1	32	-2.0	-95.58	316.94	1.62	-93.96
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]C(C)C1=NC(C)=NO1	REAL300007661020	1	32	-2.0	-118.76	300.86	1.73	-117.03
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300007661021	1	35	-2.0	-95.22	329.65	2.33	-92.89
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300007661035	1	34	-2.0	-110.22	318.80	2.68	-107.54
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007661037	1	34	-2.0	-108.34	318.78	2.69	-105.65
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=N1	REAL300007661038	1	34	-2.0	-94.40	311.65	-0.17	-94.57
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300007661042	1	35	-2.0	-93.09	327.79	1.93	-91.16
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007661045	1	32	-2.0	-111.68	294.49	-0.43	-112.11
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=N1	REAL300007661047	1	32	-2.0	-99.11	302.93	0.08	-99.03
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])=N1	REAL300007661048	1	32	-2.0	-113.55	311.36	2.62	-110.93
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007661050	0	29	-2.0	-115.89	277.42	-0.08	-115.97
CC1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007661053	1	29	-2.0	-117.45	276.32	-1.84	-119.29
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007661054	1	32	-2.0	-111.68	294.49	-0.43	-112.11
CC1=NOC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007661055	0	35	-2.0	-133.14	330.10	2.16	-130.98
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300007661057	1	31	-2.0	-99.74	296.43	-0.77	-100.51
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007661059	0	29	-2.0	-92.16	299.86	-0.22	-92.38
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=N1	REAL300007661063	1	31	-2.0	-100.41	296.28	-0.65	-101.06
CC1=NOC(C(C)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007661064	1	29	-2.0	-92.43	283.85	-2.65	-95.08
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=N1	REAL300007661065	1	32	-2.0	-98.61	301.72	-1.14	-99.75
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=N1	REAL300007661068	1	32	-2.0	-98.56	310.28	0.80	-97.76
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=N1	REAL300007661070	1	35	-2.0	-95.87	325.97	2.74	-93.13
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=N1	REAL300007661072	1	32	-2.0	-87.55	329.93	1.70	-85.85
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=N1	REAL300007661073	1	35	-2.0	-120.73	326.57	-0.25	-120.98
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=N1	REAL300007661074	1	35	-2.0	-93.92	328.29	2.32	-91.60
CC1=NOC(C(C)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007661076	1	29	-2.0	-92.43	283.85	-2.65	-95.08
CC1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007661078	1	29	-2.0	-117.45	276.32	-1.84	-119.29
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007661079	0	29	-2.0	-110.61	301.08	1.52	-109.09
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=N1	REAL300007661080	1	34	-2.0	-93.14	312.88	-0.14	-93.28
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=N1	REAL300007661084	1	31	-2.0	-114.51	286.16	0.22	-114.29
O=C([O-])C1=CC=C(S(=O)(=O)NCCN2CCCS2(=O)=O)C=C1C(=O)[O-]	REAL300007661166	0	39	-2.0	-142.06	365.28	1.39	-140.67
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)=C1	REAL300007661170	1	33	-2.0	-109.22	335.82	-1.30	-110.52
CC1=CN=C(C(C)(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007661238	1	32	-2.0	-116.37	308.03	2.48	-113.89
CC1=CN=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007661282	0	39	-2.0	-132.47	350.31	4.72	-127.75
CCC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007661397	0	43	-2.0	-135.88	385.91	8.26	-127.62
CCC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007661401	1	37	-2.0	-95.91	356.46	5.57	-90.34
COCC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007661482	0	37	-2.0	-137.55	318.65	3.21	-134.34
COCC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007661484	1	31	-2.0	-92.10	295.56	1.17	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCOC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007661581	0	42	-2.0	-138.11	365.78	6.63	-131.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC3=CC=CC=C32)=C1	REAL300007661585	1	36	-2.0	-100.56	339.20	4.11	-96.45
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=C(F)C=C3)CCC2)=C1	REAL300007661702	1	38	-2.0	-94.00	362.31	5.87	-88.13
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCOC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007661846	0	42	-2.0	-137.98	369.92	6.46	-131.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCOC3=CC=CC=C32)=C1	REAL300007661850	1	36	-2.0	-96.76	340.90	3.78	-92.98
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC3=C(CCCC3)S2)=C1	REAL300007661994	1	37	-2.0	-98.65	362.09	3.85	-94.80
COCCN(C1CCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007662171	0	44	-2.0	-137.66	366.79	7.50	-130.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=COC(C3=CC=CC=C3)=N2)=C1	REAL300007662261	1	37	-2.0	-102.74	370.18	2.53	-100.21
CN(C1CCCCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007662618	0	46	-2.0	-139.13	363.29	8.15	-130.98
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007662723	0	40	-2.0	-135.36	326.61	7.04	-128.32
CCCN(CC(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007662825	0	36	-2.0	-140.84	325.19	6.48	-134.36
CCN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007662938	0	36	-2.0	-135.70	340.33	6.86	-128.84
CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007663074	1	43	-2.0	-97.08	376.26	5.65	-91.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300007663149	1	38	-2.0	-105.22	372.40	5.22	-100.00
COC1CCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007663281	0	41	-2.0	-135.51	360.55	4.69	-130.82
COC1CCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007663285	1	35	-2.0	-99.24	328.41	2.24	-97.00
CC1=CC=CC=C1C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C(C)(C)C	REAL300007663349	1	42	-2.0	-121.03	347.01	5.85	-115.18
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007663487	0	43	-2.0	-135.87	354.19	6.77	-129.10
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007663491	1	37	-2.0	-95.25	326.34	4.58	-90.67
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007663603	0	38	-2.0	-137.05	356.79	7.49	-129.56
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=C(F)C=C2)=C1	REAL300007663607	1	32	-2.0	-93.10	326.53	4.87	-88.23
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2SCCC3=CC=CC=C32)=C1	REAL300007663706	1	36	-2.0	-102.08	349.34	5.46	-96.62
CCC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007663804	0	46	-2.0	-134.83	379.60	8.43	-126.40
CC(C)C1=CC=C(CC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007663906	1	43	-2.0	-96.73	389.05	6.99	-89.74
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007664008	0	49	-2.0	-134.44	388.52	7.86	-126.58
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007664012	1	43	-2.0	-95.84	361.69	5.23	-90.61
CS(=O)(=O)CCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007664125	0	39	-2.0	-147.64	368.25	2.13	-145.51
CS(=O)(=O)CCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007664129	1	33	-2.0	-104.00	338.79	-0.55	-104.55
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC2C3)C=C1C(=O)[O-]	REAL300007664238	0	41	-2.0	-135.14	347.51	6.67	-128.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CCC2C3)=C1	REAL300007664242	1	35	-2.0	-96.78	318.62	3.99	-92.79
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2=CC=CC=C2C1	REAL300007664347	0	44	-2.0	-135.29	382.64	8.46	-126.83
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC2=CC=CC=C2C1	REAL300007664351	1	38	-2.0	-96.35	355.16	5.81	-90.54
COC1=CC=C2C(=C1)CCCC2C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007664435	1	42	-2.0	-98.12	379.07	4.96	-93.16
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300007664537	0	38	-2.0	-137.09	356.78	7.48	-129.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=CC(F)=C2)=C1	REAL300007664541	1	32	-2.0	-95.45	326.53	4.87	-90.58
CC1(C)CC([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=C(F)C=C2O1	REAL300007664603	1	38	-2.0	-118.72	344.54	4.17	-114.55
CC1CCC2=CC=CC=C2C1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007664723	0	44	-2.0	-135.82	374.45	8.38	-127.44
CC1(C)CCC2=CC=CC=C2C1[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007664792	1	40	-2.0	-120.80	335.42	5.80	-115.00
CC(C)(C)C1CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007664924	0	52	-2.0	-139.50	404.87	8.12	-131.38
CC(C)(C)C1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007664928	1	46	-2.0	-97.59	377.01	5.45	-92.14
COC1=CC(C)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007664993	1	34	-2.0	-129.85	320.57	2.94	-126.91
COC1=CC(C)=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007665037	0	41	-2.0	-137.53	371.36	6.05	-131.48
CC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300007665151	0	44	-2.0	-135.71	368.76	8.33	-127.38
CCSC1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007665266	0	44	-2.0	-141.80	384.77	7.53	-134.27
CCSC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007665270	1	38	-2.0	-100.43	352.37	5.05	-95.38
CC1=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C)S1	REAL300007665470	0	40	-2.0	-134.26	364.90	7.05	-127.21
CC1=CC=C2OCC([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])C2=C1	REAL300007665541	1	32	-2.0	-125.02	301.47	2.82	-122.20
CC1=CC=C2OCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007665585	0	39	-2.0	-137.67	357.17	5.80	-131.87
CC1=CC=C2OCC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C2=C1	REAL300007665589	1	33	-2.0	-98.07	322.81	3.28	-94.79
CCC1(CC)CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007665702	0	49	-2.0	-136.30	383.16	7.35	-128.95
CCC1(CC)CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007665706	1	43	-2.0	-97.41	352.77	4.95	-92.46
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NOC(C)=N1	REAL300007665739	1	32	-2.0	-125.55	306.99	1.24	-124.31
CCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665746	1	32	-2.0	-129.69	301.41	-1.32	-131.01
CCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665750	1	35	-2.0	-126.15	325.68	2.66	-123.49
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C)=N1	REAL300007665751	1	32	-2.0	-105.91	310.38	-0.01	-105.92
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1=NOC(C)=N1	REAL300007665752	1	35	-2.0	-107.91	324.33	0.13	-107.78
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C)=N1	REAL300007665757	1	32	-2.0	-105.91	310.38	-0.01	-105.92
CCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC)C1=NOC(C)=N1	REAL300007665759	1	39	-2.0	-105.44	364.22	2.99	-102.45
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NOC(C)=N1	REAL300007665760	1	32	-2.0	-106.21	318.59	0.65	-105.56
CCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665764	1	32	-2.0	-109.50	316.96	0.67	-108.83
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C1=NOC(C)=N1	REAL300007665767	1	38	-2.0	-137.57	346.99	3.72	-133.85
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665769	1	40	-2.0	-97.75	363.76	2.65	-95.10
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NOC(C)=N1	REAL300007665770	1	32	-2.0	-105.53	310.31	-0.25	-105.78
CCC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665772	1	35	-2.0	-108.00	328.67	0.76	-107.24
CCC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665773	1	34	-2.0	-102.20	320.94	-0.19	-102.39
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665774	0	31	-2.0	-124.59	300.87	-0.29	-124.88
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NOC(C)=N1	REAL300007665775	1	31	-2.0	-131.59	306.10	-0.65	-132.24
CCC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665776	1	34	-2.0	-134.45	312.46	0.77	-133.68
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C1=NOC(C)=N1	REAL300007665786	1	35	-2.0	-128.61	319.58	1.98	-126.63
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)C1=NOC(C)=N1	REAL300007665793	1	39	-2.0	-103.71	356.27	1.95	-101.76
CCC([N-]S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)C1=NOC(C)=N1	REAL300007665796	1	36	-2.0	-107.91	348.12	0.07	-107.84
CCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665801	1	37	-2.0	-118.65	341.97	2.94	-115.71
CCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665803	1	37	-2.0	-118.76	341.95	2.94	-115.82
CCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=NOC(C)=N1	REAL300007665813	1	35	-2.0	-109.26	324.06	0.24	-109.02
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NOC(C)=N1	REAL300007665815	1	32	-2.0	-127.37	302.71	0.47	-126.90
CCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665818	1	32	-2.0	-129.69	301.41	-1.32	-131.01
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665820	0	38	-2.0	-136.73	352.15	2.48	-134.25
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NOC(C)=N1	REAL300007665822	1	34	-2.0	-111.31	321.52	-0.24	-111.55
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NOC(C)=N1	REAL300007665824	0	32	-2.0	-101.35	320.30	-0.05	-101.40
CCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665829	1	32	-2.0	-102.54	309.10	-2.13	-104.67
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C1=NOC(C)=N1	REAL300007665836	1	38	-2.0	-105.77	345.77	2.99	-102.78
CCC([N-]S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=NOC(C)=N1	REAL300007665838	1	35	-2.0	-96.72	355.34	2.20	-94.52
CCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007665843	1	32	-2.0	-102.54	309.10	-2.13	-104.67
CCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665845	1	32	-2.0	-129.69	301.41	-1.32	-131.01
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=NOC(C)=N1	REAL300007665846	1	32	-2.0	-122.47	321.74	1.72	-120.75
CCC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007665852	1	34	-2.0	-124.45	309.33	0.46	-123.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC23CCCCC3)C=C1C(=O)[O-]	REAL300007665934	0	41	-2.0	-139.77	353.73	7.12	-132.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC23CCCCC3)=C1	REAL300007665938	1	35	-2.0	-96.43	325.36	4.54	-91.89
O=C([O-])C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007666048	0	41	-2.0	-135.60	365.70	7.85	-127.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@H](C3=CC=CC=C3)C2)=C1	REAL300007666052	1	35	-2.0	-96.56	334.84	5.32	-91.24
CSCC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007666160	0	41	-2.0	-137.05	387.65	7.91	-129.14
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300007666336	0	40	-2.0	-132.32	349.78	7.08	-125.24
CSC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007666457	0	38	-2.0	-137.58	349.08	6.10	-131.48
CSC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007666461	1	32	-2.0	-94.93	317.77	3.56	-91.37
CSC1CCC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007666574	0	41	-2.0	-136.67	363.68	7.71	-128.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C(F)C=CC=C2OC(F)F)=C1	REAL300007666837	1	32	-2.0	-101.50	335.29	2.99	-98.51
CCCC1C(C)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007666940	0	46	-2.0	-138.14	360.80	8.47	-129.67
CCOC1=CC(Cl)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007667010	1	34	-2.0	-124.21	337.74	3.72	-120.49
CCC1=CN=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007667209	0	39	-2.0	-137.51	371.19	5.52	-131.99
CCC1=CN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007667213	1	33	-2.0	-96.67	341.76	2.82	-93.85
CCC1=CN=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007667281	1	29	-2.0	-126.02	298.92	1.66	-124.36
CCC1=CN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)S1	REAL300007667282	1	29	-2.0	-124.58	301.06	1.14	-123.44
CCC1=CN=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007667327	0	36	-2.0	-136.16	349.71	4.75	-131.41
CCC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007667331	1	30	-2.0	-96.43	320.26	2.06	-94.37
CCC1=CN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)S1	REAL300007667353	1	30	-2.0	-119.19	321.47	3.82	-115.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(CO)CC2=CC=CC=C2F)=C1	REAL300007667426	1	38	-2.0	-99.60	365.16	2.61	-96.99
COCCOCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007667527	0	45	-2.0	-136.85	395.40	5.05	-131.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(C2)CCCCCC3)C=C1C(=O)[O-]	REAL300007667637	0	50	-2.0	-134.61	383.19	9.26	-125.35
C[C@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300007667698	1	30	-2.0	-116.07	314.36	4.84	-111.23
CSC(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007667864	0	34	-2.0	-134.62	323.80	4.92	-129.70
CSC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007667867	1	28	-2.0	-96.18	294.53	2.23	-93.95
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCS1	REAL300007667971	0	38	-2.0	-135.26	344.32	6.14	-129.12
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCS1	REAL300007667975	1	32	-2.0	-99.95	316.84	3.48	-96.47
CC1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007668183	0	41	-2.0	-137.15	358.40	8.72	-128.43
CC1=CC=C2C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)=CNC2=C1	REAL300007668288	1	38	-2.0	-101.63	366.85	4.84	-96.79
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(CC3=CC=CC=C3)CCCC2)=C1	REAL300007668374	1	41	-2.0	-99.26	358.21	6.48	-92.78
CSCC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007668578	0	38	-2.0	-140.29	340.84	7.12	-133.17
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)C([N+](=O)[O-])=N1	REAL300007669077	1	36	-2.0	-139.69	348.24	6.92	-132.77
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C(F)(F)F)=N1	REAL300007669118	1	34	-2.0	-134.32	336.58	4.88	-129.44
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)C(N)=NO1	REAL300007669179	1	32	-2.0	-125.55	306.70	3.40	-122.15
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300007669210	0	33	-2.0	-150.08	321.91	4.79	-145.29
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300007669310	1	33	-2.0	-136.52	318.65	2.91	-133.61
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Cl)C(F)=C1	REAL300007669321	1	35	-2.0	-144.69	337.14	5.61	-139.08
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC=C1Cl	REAL300007669329	1	28	-2.0	-134.70	296.70	4.54	-130.16
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)C([N+](=O)[O-])=N1	REAL300007669602	1	36	-2.0	-145.21	341.95	6.62	-138.59
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)C(C(F)(F)F)=N1	REAL300007669643	1	34	-2.0	-137.82	327.24	4.62	-133.20
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)C(N)=NO1	REAL300007669694	1	32	-2.0	-126.95	304.05	2.47	-124.48
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300007669723	0	33	-2.0	-155.55	315.54	4.48	-151.07
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)=C(C2=CC=CC=C2)O1	REAL300007669815	1	40	-2.0	-145.73	363.76	4.91	-140.82
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300007669827	1	33	-2.0	-141.41	312.34	2.61	-138.80
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC=C1F	REAL300007669843	1	28	-2.0	-139.89	290.41	4.24	-135.65
CC1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C(N)=NO1	REAL300007670199	1	35	-2.0	-104.73	326.13	3.43	-101.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007670219	0	36	-2.0	-135.47	355.64	5.25	-130.22
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007670298	1	36	-2.0	-112.78	339.06	2.89	-109.89
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(Cl)C=C1	REAL300007670310	1	31	-2.0	-118.53	326.77	4.77	-113.76
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300007670546	1	36	-2.0	-126.78	319.51	5.26	-121.52
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C=C2)C([N+](=O)[O-])=N1	REAL300007670633	1	39	-2.0	-146.02	356.91	6.97	-139.05
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C=C2)C(N)=NO1	REAL300007670737	0	35	-2.0	-127.80	314.73	3.65	-124.15
CC1=CC=C(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007670770	1	36	-2.0	-155.67	335.39	5.02	-150.65
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300007670890	1	36	-2.0	-139.07	328.97	3.15	-135.92
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C=C2)C(F)=C1	REAL300007670901	1	38	-2.0	-146.07	344.35	5.89	-140.18
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2C)C(N)=NO1	REAL300007672085	0	38	-2.0	-115.42	333.13	3.70	-111.72
CC1=CC=CC=C1C(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007672117	1	39	-2.0	-140.00	352.44	5.43	-134.57
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2C)=N1	REAL300007672222	1	39	-2.0	-126.23	346.81	3.19	-123.04
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2C)C(F)=C1	REAL300007672233	1	41	-2.0	-135.38	362.69	5.91	-129.47
CC1=CC=CC=C1C(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300007672242	1	34	-2.0	-125.70	323.65	4.93	-120.77
CC1=NOC(C)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1=CC=CC=C1C	REAL300007672447	1	39	-2.0	-117.79	338.67	5.29	-112.50
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC=C2C)C([N+](=O)[O-])=N1	REAL300007672523	1	42	-2.0	-126.74	371.26	7.25	-119.49
CC1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC=C2C)C(N)=NO1	REAL300007672625	0	38	-2.0	-113.14	321.82	3.82	-109.32
CC1=CC=CC=C1[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007672657	1	39	-2.0	-146.01	353.97	5.25	-140.76
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC=C2C)=N1	REAL300007672762	1	39	-2.0	-128.32	346.47	3.20	-125.12
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC=C2C)C(F)=C1	REAL300007672773	1	41	-2.0	-136.07	363.55	5.91	-130.16
CC1=CC=CC=C1[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300007672782	1	34	-2.0	-125.56	323.95	4.87	-120.69
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007672971	1	37	-2.0	-119.69	326.04	3.16	-116.53
CCN1C=C(S(=O)(=O)[N-]C(C)(COC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007673115	1	39	-2.0	-131.88	332.19	3.59	-128.29
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007673168	1	37	-2.0	-124.15	323.75	1.53	-122.62
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007673171	1	37	-2.0	-131.67	319.36	3.18	-128.49
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300007673220	1	35	-2.0	-110.43	296.04	0.21	-110.22
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007673256	0	36	-2.0	-138.38	318.21	1.57	-136.81
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007673365	1	43	-2.0	-141.14	365.65	1.77	-139.37
CCN1N=CC(S(=O)(=O)[N-]C(C)(COC)CC(=O)[O-])=N1	REAL300007673378	1	36	-2.0	-121.18	310.72	-0.45	-121.63
COCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007673389	1	38	-2.0	-128.51	327.86	2.28	-126.23
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007673590	1	39	-2.0	-103.23	321.51	5.20	-98.03
CCN1C=C(S(=O)(=O)[N-]C(CC)(CC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007673712	1	41	-2.0	-108.64	338.57	5.49	-103.15
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007673757	1	39	-2.0	-105.73	321.55	3.52	-102.21
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007673760	1	39	-2.0	-109.17	315.10	5.13	-104.04
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300007673805	1	37	-2.0	-97.18	291.78	2.14	-95.04
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007673837	0	38	-2.0	-119.14	313.66	3.60	-115.54
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007673940	1	45	-2.0	-117.85	361.38	3.71	-114.14
CCN1N=CC(S(=O)(=O)[N-]C(CC)(CC)CC(=O)[O-])=N1	REAL300007673952	1	38	-2.0	-104.74	306.18	1.59	-103.15
CCCCCCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007677275	1	45	-2.0	-119.95	379.73	6.67	-113.28
CCCCCCC(C)([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007677391	1	47	-2.0	-130.10	393.88	7.04	-123.06
CCCCCCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007677431	1	45	-2.0	-120.47	383.56	5.14	-115.33
CCCCCCC(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007677434	1	45	-2.0	-127.31	373.32	6.60	-120.71
CCCCCCC(C)([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007677484	1	43	-2.0	-111.06	350.01	3.61	-107.45
CCCCCCC(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007677512	0	44	-2.0	-136.06	371.89	5.09	-130.97
CCCCCCC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007677602	1	51	-2.0	-137.21	420.99	5.18	-132.03
CCCCCCC(C)([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300007677613	1	44	-2.0	-120.92	364.40	3.06	-117.86
O=C([O-])C1=CC=C(OCC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300007677761	1	38	-2.0	-96.68	358.42	4.80	-91.88
CCN1C=C(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007677883	1	40	-2.0	-104.78	372.56	5.22	-99.56
CN1C=C(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300007677924	1	38	-2.0	-99.68	362.23	3.22	-96.46
O=C([O-])C1=CC=C(OCC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300007677927	1	38	-2.0	-102.20	352.00	4.73	-97.47
CC1=C(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300007677982	1	36	-2.0	-91.02	328.66	1.74	-89.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007678014	0	37	-2.0	-108.71	349.30	3.32	-105.39
CCN1N=CC(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007678116	1	37	-2.0	-97.99	343.09	1.18	-96.81
COC1=CC(F)=C(S(=O)(=O)[N-]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007678127	1	39	-2.0	-101.03	360.23	3.92	-97.11
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O1	REAL300007678345	1	30	-2.0	-118.97	296.35	4.83	-114.14
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])O1	REAL300007678415	1	33	-2.0	-103.62	332.86	5.81	-97.81
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C([N+](=O)[O-])=N1	REAL300007678466	1	33	-2.0	-108.77	325.56	4.08	-104.69
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O1	REAL300007678512	1	36	-2.0	-110.61	340.82	3.99	-106.62
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(C(F)(F)F)=N1	REAL300007678520	1	31	-2.0	-104.60	315.23	2.09	-102.51
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(N)=NO1	REAL300007678569	1	29	-2.0	-96.91	282.79	0.56	-96.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=N1	REAL300007678605	0	30	-2.0	-117.63	303.61	2.09	-115.54
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=C(C2=CC=CC=C2)O1	REAL300007678714	1	37	-2.0	-116.96	351.30	2.16	-114.80
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=N1	REAL300007678727	1	30	-2.0	-104.47	296.10	0.03	-104.44
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(F)=C1	REAL300007678737	1	32	-2.0	-108.67	313.23	2.77	-105.90
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)O1	REAL300007678751	1	27	-2.0	-104.31	302.59	1.18	-103.13
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)O1	REAL300007678754	1	25	-2.0	-102.21	274.02	1.69	-100.52
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)O1	REAL300007678768	1	33	-2.0	-102.16	329.35	5.51	-96.65
O=C([O-])C(CC1=CNC2=CC=CC=C12)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007680112	1	41	-2.0	-143.73	368.92	6.83	-136.90
CC1=C(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(N)=NO1	REAL300007680150	1	39	-2.0	-125.03	344.95	3.84	-121.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007680167	0	40	-2.0	-149.18	372.53	4.81	-144.37
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007680229	1	40	-2.0	-139.42	361.13	3.29	-136.13
O=C([O-])C1=CC=CC(CC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300007681601	1	37	-2.0	-105.92	350.12	5.94	-99.98
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007681742	1	39	-2.0	-111.60	364.26	6.36	-105.24
CN1C=C(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007681793	1	37	-2.0	-107.50	353.93	4.37	-103.13
O=C([O-])C1=CC=CC(CC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300007681796	1	37	-2.0	-111.34	343.70	5.87	-105.47
CC1=C(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300007681846	1	35	-2.0	-101.10	320.39	2.89	-98.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007681879	0	36	-2.0	-120.00	341.01	4.47	-115.53
CC1=NC(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300007681986	1	43	-2.0	-114.58	388.26	4.67	-109.91
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007681999	1	36	-2.0	-107.17	334.65	2.34	-104.83
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300007682010	1	38	-2.0	-113.16	351.93	5.06	-108.10
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007682216	1	42	-2.0	-95.10	376.84	6.20	-88.90
CCN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007682358	1	44	-2.0	-102.42	390.99	6.62	-95.80
CN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007682412	1	42	-2.0	-97.64	379.30	4.58	-93.06
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007682415	1	42	-2.0	-100.63	370.43	6.13	-94.50
CC1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(N)=NO1	REAL300007682465	1	40	-2.0	-89.83	347.10	3.14	-86.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300007682500	0	41	-2.0	-110.26	369.02	4.64	-105.62
CC1=NC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007682608	1	48	-2.0	-108.89	416.72	4.71	-104.18
CCN1N=CC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300007682621	1	41	-2.0	-96.97	361.52	2.58	-94.39
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(F)=C1	REAL300007682633	1	43	-2.0	-100.71	378.66	5.32	-95.39
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007682841	1	42	-2.0	-95.10	376.84	6.20	-88.90
CCN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007682983	1	44	-2.0	-102.42	390.99	6.62	-95.80
CN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007683037	1	42	-2.0	-97.64	379.30	4.58	-93.06
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007683040	1	42	-2.0	-100.63	370.43	6.13	-94.50
CC1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(N)=NO1	REAL300007683090	1	40	-2.0	-89.83	347.10	3.14	-86.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300007683125	0	41	-2.0	-110.26	369.02	4.64	-105.62
CC1=NC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007683233	1	48	-2.0	-108.89	416.72	4.71	-104.18
CCN1N=CC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300007683246	1	41	-2.0	-96.97	361.52	2.58	-94.39
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(F)=C1	REAL300007683258	1	43	-2.0	-100.71	378.66	5.32	-95.39
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O1	REAL300007688486	1	30	-2.0	-118.97	296.35	4.83	-114.14
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])O1	REAL300007688556	1	33	-2.0	-103.62	332.86	5.81	-97.81
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C([N+](=O)[O-])=N1	REAL300007688607	1	33	-2.0	-108.77	325.56	4.08	-104.69
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O1	REAL300007688653	1	36	-2.0	-110.61	340.82	3.99	-106.62
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(C(F)(F)F)=N1	REAL300007688661	1	31	-2.0	-104.60	315.23	2.09	-102.51
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(N)=NO1	REAL300007688710	1	29	-2.0	-96.91	282.79	0.56	-96.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=N1	REAL300007688746	0	30	-2.0	-117.63	303.61	2.09	-115.54
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=C(C2=CC=CC=C2)O1	REAL300007688855	1	37	-2.0	-116.96	351.30	2.16	-114.80
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)=N1	REAL300007688868	1	30	-2.0	-104.47	296.10	0.03	-104.44
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])O2)C(F)=C1	REAL300007688878	1	32	-2.0	-108.67	313.23	2.77	-105.90
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)O1	REAL300007688892	1	27	-2.0	-104.31	302.59	1.18	-103.13
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)O1	REAL300007688895	1	25	-2.0	-102.21	274.02	1.69	-100.52
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)O1	REAL300007688909	1	33	-2.0	-102.16	329.35	5.51	-96.65
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F	REAL300007690040	1	42	-2.0	-106.42	381.34	3.38	-103.04
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007690083	0	43	-2.0	-110.06	383.41	2.35	-107.71
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(N)=NO1	REAL300007691313	1	38	-2.0	-130.23	340.38	5.21	-125.02
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300007691333	0	39	-2.0	-158.60	359.97	6.86	-151.74
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300007691406	1	39	-2.0	-140.39	353.57	4.72	-135.67
CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1C(=O)[O-]	REAL300007691599	1	40	-2.0	-120.99	329.03	5.54	-115.45
CCN1C=C(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007691740	1	42	-2.0	-124.97	345.90	5.71	-119.26
CN1C=C(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007691795	1	40	-2.0	-118.31	333.55	4.37	-113.94
CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1C(=O)[O-]	REAL300007691798	1	40	-2.0	-128.76	322.62	5.47	-123.29
CC1=C(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])C(N)=NO1	REAL300007691848	1	38	-2.0	-106.51	303.25	2.83	-103.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])=N1	REAL300007691883	0	39	-2.0	-134.68	321.21	3.95	-130.73
CC1=NC(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007691990	1	46	-2.0	-134.44	374.09	4.59	-129.85
CCN1N=CC(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])=N1	REAL300007692003	1	39	-2.0	-116.50	319.90	2.42	-114.08
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C)CCCCC2C(=O)[O-])C(F)=C1	REAL300007692015	1	41	-2.0	-122.86	337.19	5.13	-117.73
O=C([O-])CCC(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007692163	1	43	-2.0	-109.25	388.86	7.76	-101.49
CCN1C=C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007692260	1	45	-2.0	-123.59	397.44	8.01	-115.58
O=C([O-])CCC(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007692298	1	43	-2.0	-114.81	382.44	7.69	-107.12
CC1=C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2=CC=CC=C2)C(N)=NO1	REAL300007692350	1	41	-2.0	-105.72	354.75	4.54	-101.18
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300007692372	0	42	-2.0	-126.67	378.89	6.23	-120.44
CCN1N=CC(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300007692463	1	42	-2.0	-112.33	373.32	4.17	-108.16
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300007692473	1	44	-2.0	-116.26	389.77	6.91	-109.35
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CCCOC1	REAL300007692644	1	38	-2.0	-130.14	331.82	3.73	-126.41
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)C([N+](=O)[O-])=N1	REAL300007692767	1	40	-2.0	-133.84	345.57	4.19	-129.65
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)C(C(F)(F)F)=N1	REAL300007692811	1	38	-2.0	-126.94	331.63	2.24	-124.70
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCCOC1	REAL300007692814	1	38	-2.0	-136.20	323.14	3.74	-132.46
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)C(N)=NO1	REAL300007692860	1	36	-2.0	-119.61	302.89	0.79	-118.82
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)=N1	REAL300007692891	0	37	-2.0	-145.26	322.28	2.14	-143.12
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)=C(C2=CC=CC=C2)O1	REAL300007692986	1	44	-2.0	-144.43	369.67	2.49	-141.94
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCCOC2)=N1	REAL300007692998	1	37	-2.0	-132.32	319.73	0.28	-132.04
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(N)=NO1	REAL300007693197	1	39	-2.0	-112.87	359.38	3.31	-109.56
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300007693244	1	40	-2.0	-118.30	372.62	2.80	-115.50
CC1=CC=C(C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007693348	0	44	-2.0	-136.73	384.44	9.79	-126.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300007693587	0	34	-2.0	-135.08	327.93	6.11	-128.97
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(F)=C2)=C1	REAL300007693591	1	28	-2.0	-93.84	298.48	3.40	-90.44
O=C([O-])C1=CC=C(S(=O)(=O)N2CCSCC2)C=C1C(=O)[O-]	REAL300007693669	0	32	-2.0	-135.77	300.78	5.81	-129.96
COC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC)=C1	REAL300007693728	1	35	-2.0	-128.02	328.64	1.57	-126.45
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(OC)=C1	REAL300007693768	0	42	-2.0	-137.69	379.43	4.67	-133.02
CCOC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007693837	1	34	-2.0	-130.51	321.03	3.20	-127.31
CCOC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007693881	0	41	-2.0	-138.05	371.83	6.31	-131.74
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300007693998	0	37	-2.0	-138.31	355.70	7.20	-131.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC=C2Cl)=C1	REAL300007694002	1	31	-2.0	-97.91	326.24	4.50	-93.41
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(F)C(F)=C2)C=C1C(=O)[O-]	REAL300007694116	0	34	-2.0	-134.33	334.23	6.16	-128.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(F)C(F)=C2)=C1	REAL300007694120	1	28	-2.0	-89.87	304.78	3.45	-86.42
CCN(C(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007694199	0	36	-2.0	-136.00	311.00	6.06	-129.94
CC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007694326	0	40	-2.0	-136.10	358.97	7.39	-128.71
CCN(C1=CC=CC(C)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007694439	0	40	-2.0	-134.70	346.67	8.57	-126.13
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC(F)=C2)C=C1C(=O)[O-]	REAL300007694549	0	34	-2.0	-132.37	334.35	6.18	-126.19
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(F)=CC(F)=C2)=C1	REAL300007694553	1	28	-2.0	-89.93	304.90	3.47	-86.46
CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007694670	0	40	-2.0	-135.35	362.61	8.70	-126.65
CC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007694776	0	37	-2.0	-134.86	337.70	7.98	-126.88
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CNC3=CC(F)=CC=C23)=C1	REAL300007694867	1	35	-2.0	-97.71	351.89	4.25	-93.46
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(F)C=C1C(F)(F)F	REAL300007694968	1	31	-2.0	-118.78	305.53	2.89	-115.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)O1	REAL300007694972	1	31	-2.0	-100.79	314.20	4.21	-96.58
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)O1	REAL300007694973	1	34	-2.0	-99.47	332.40	4.70	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)O1	REAL300007694979	1	31	-2.0	-100.79	314.20	4.21	-96.58
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)=C1	REAL300007694986	1	31	-2.0	-97.47	314.45	3.96	-93.51
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1=CC=C(F)C=C1C(F)(F)F	REAL300007694990	1	30	-2.0	-117.12	307.47	4.18	-112.94
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)SC=N1	REAL300007694991	1	30	-2.0	-122.16	309.91	3.57	-118.59
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)=C1	REAL300007695006	1	34	-2.0	-103.07	332.14	4.83	-98.24
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2C(F)(F)F)OC=C1	REAL300007695007	1	31	-2.0	-117.99	306.63	4.71	-113.28
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(F)C=C1C(F)(F)F	REAL300007695009	1	31	-2.0	-118.78	305.53	2.89	-115.89
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(F)C=C1C(F)(F)F	REAL300007695024	1	31	-2.0	-118.78	305.53	2.89	-115.89
CS(=O)(=O)C1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007695065	1	33	-2.0	-131.00	331.42	0.46	-130.54
CCC(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007695224	0	39	-2.0	-134.03	334.67	5.65	-128.38
CCC(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007695226	1	33	-2.0	-93.40	307.84	3.69	-89.71
CC(C)(C)C1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007695312	1	43	-2.0	-96.07	389.77	6.45	-89.62
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300007695414	0	36	-2.0	-145.94	343.25	6.63	-139.31
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007695418	1	30	-2.0	-105.52	313.80	3.93	-101.59
CCC(COC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007695501	0	37	-2.0	-131.81	331.23	3.49	-128.32
CCC(COC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007695504	1	31	-2.0	-95.22	305.72	1.08	-94.14
CSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007695576	0	34	-2.0	-135.24	327.85	5.03	-130.21
CSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007695579	1	28	-2.0	-93.71	298.39	2.35	-91.36
CC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])SC=C1	REAL300007695637	1	27	-2.0	-121.07	280.12	2.60	-118.47
CC1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)SC=C1	REAL300007695684	0	34	-2.0	-133.75	330.92	5.71	-128.04
COCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007695753	0	34	-2.0	-134.94	309.49	4.04	-130.90
CC(C)OC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007695847	0	44	-2.0	-136.01	391.36	6.92	-129.09
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2Br)=C1	REAL300007695935	1	28	-2.0	-97.30	310.32	3.88	-93.42
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300007696036	0	36	-2.0	-139.60	349.74	6.71	-132.89
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300007696040	1	30	-2.0	-94.18	320.29	4.00	-90.18
CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007696107	0	34	-2.0	-138.06	316.83	3.10	-134.96
CC(C)OC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007696201	0	44	-2.0	-134.25	391.37	6.91	-127.34
CC(C)OC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007696270	1	37	-2.0	-132.63	338.94	3.84	-128.79
CC(C)OC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007696311	0	44	-2.0	-138.08	389.82	6.92	-131.16
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=C(F)C=CC=C2Cl)C=C1C(=O)[O-]	REAL300007696425	0	34	-2.0	-137.97	340.89	6.47	-131.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C(F)C=CC=C2Cl)=C1	REAL300007696429	1	28	-2.0	-100.33	311.43	3.76	-96.57
CC1=CC=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007696532	0	37	-2.0	-135.42	338.51	8.17	-127.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300007696636	0	34	-2.0	-133.54	344.12	6.60	-126.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(F)C(Cl)=C2)=C1	REAL300007696640	1	28	-2.0	-89.82	314.66	3.89	-85.93
CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007696741	0	33	-2.0	-134.09	302.71	5.68	-128.41
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300007696837	0	34	-2.0	-135.01	333.50	6.14	-128.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(F)C=C2F)=C1	REAL300007696841	1	28	-2.0	-93.91	304.05	3.43	-90.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300007697057	0	36	-2.0	-137.39	349.71	6.70	-130.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007697061	1	30	-2.0	-88.79	320.29	4.00	-84.79
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC=C2OC(F)F)=C1	REAL300007697198	1	35	-2.0	-98.89	351.65	3.77	-95.12
COC1=CC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1OC	REAL300007697253	1	35	-2.0	-126.22	329.56	2.53	-123.69
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1OC	REAL300007697293	0	42	-2.0	-137.44	380.63	5.27	-132.17
CC(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007697446	0	36	-2.0	-134.12	319.12	5.15	-128.97
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007697548	0	40	-2.0	-134.71	337.53	7.01	-127.70
COC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007697613	1	37	-2.0	-137.52	341.12	4.42	-133.10
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007697693	1	27	-2.0	-122.80	282.84	2.83	-119.97
CC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007697740	0	34	-2.0	-133.98	333.61	5.93	-128.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(C3=CC=CC=C3)=CS2)=C1	REAL300007697827	1	34	-2.0	-99.84	355.17	4.10	-95.74
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007697922	0	37	-2.0	-134.57	342.93	6.70	-127.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(F)=CC=C2F)C=C1C(=O)[O-]	REAL300007698034	0	34	-2.0	-135.21	333.50	6.14	-129.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(F)=CC=C2F)=C1	REAL300007698038	1	28	-2.0	-95.82	304.05	3.43	-92.39
COC1=CC=C2NC=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C2=C1	REAL300007698124	1	39	-2.0	-106.70	375.03	3.47	-103.23
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=CC=N2)C=C1C(=O)[O-]	REAL300007698221	0	37	-2.0	-137.78	345.52	4.79	-132.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCN2C=CC=N2)=C1	REAL300007698225	1	31	-2.0	-98.41	316.06	2.11	-96.30
CC(C)N(CC1=CC=CO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007698335	0	40	-2.0	-136.25	350.83	7.35	-128.90
CC(C1=CC=CC=C1F)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007698460	0	40	-2.0	-140.25	359.88	8.29	-131.96
COC1=CC=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007698637	0	41	-2.0	-137.72	372.51	6.12	-131.60
COC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007698641	1	35	-2.0	-98.18	343.07	3.43	-94.75
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007698746	0	40	-2.0	-135.82	381.25	8.12	-127.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2=CC=C(Cl)C=C2)=C1	REAL300007698750	1	34	-2.0	-92.94	351.80	5.44	-87.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(OC3CCCC3)CC2)C=C1C(=O)[O-]	REAL300007699061	0	48	-2.0	-142.00	396.74	7.89	-134.11
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007699177	0	46	-2.0	-137.51	374.54	7.56	-129.95
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007699181	1	40	-2.0	-96.14	349.85	5.22	-90.92
CC(C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007699252	0	39	-2.0	-134.17	343.68	5.87	-128.30
CC(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007699254	1	33	-2.0	-93.92	314.22	3.18	-90.74
COC1=CC=CC=C1C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007699433	1	39	-2.0	-98.65	369.48	4.82	-93.83
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC2=CC=CC=C21	REAL300007699522	0	44	-2.0	-135.87	360.59	7.97	-127.90
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)(C)C1=CC=CC=C1	REAL300007699625	0	46	-2.0	-135.86	374.92	8.26	-127.60
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)(C)C1=CC=CC=C1	REAL300007699629	1	40	-2.0	-97.95	352.87	5.91	-92.04
COCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007699711	0	37	-2.0	-134.35	333.07	3.50	-130.85
COCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007699714	1	31	-2.0	-92.74	302.69	1.11	-91.63
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCSCC2)C=C1C(=O)[O-]	REAL300007699807	0	35	-2.0	-135.50	320.31	5.17	-130.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCSCC2)=C1	REAL300007699811	1	29	-2.0	-91.75	289.56	2.78	-88.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCC2)C=C1C(=O)[O-]	REAL300007699913	0	41	-2.0	-138.23	341.85	7.38	-130.85
CC1CCC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007700024	0	43	-2.0	-136.13	345.09	6.61	-129.52
CC1CCC(C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007700028	1	37	-2.0	-96.32	319.40	4.19	-92.13
COCCOCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007700241	0	44	-2.0	-138.35	393.76	3.87	-134.48
COCCOCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007700245	1	38	-2.0	-96.35	364.31	1.19	-95.16
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1F	REAL300007700441	0	43	-2.0	-142.32	373.34	7.77	-134.55
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1F	REAL300007700445	1	37	-2.0	-100.45	346.52	5.14	-95.31
CCC(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007700620	0	43	-2.0	-142.28	379.18	8.09	-134.19
CCC(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007700624	1	37	-2.0	-94.98	351.06	5.84	-89.14
CN(CCC1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007700739	0	46	-2.0	-135.76	381.27	8.80	-126.96
CC(C)CCOC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007700948	1	43	-2.0	-134.06	381.59	5.31	-128.75
CC1=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC=CC=C2N1	REAL300007701058	1	38	-2.0	-101.79	364.92	4.67	-97.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=C4OCOC4=C3)CC2)=C1	REAL300007701138	1	38	-2.0	-96.47	367.68	4.10	-92.37
COC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C(F)(F)F)=C1	REAL300007701272	1	34	-2.0	-122.62	330.54	3.40	-119.22
CC1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007701379	0	44	-2.0	-137.80	380.14	9.08	-128.72
CCN(CC1=C(F)C=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007701634	0	40	-2.0	-138.56	360.87	8.89	-129.67
CCN(CC1=COC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007701742	0	37	-2.0	-136.99	339.97	6.76	-130.23
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(C)C=C1	REAL300007701853	0	43	-2.0	-137.40	377.49	7.95	-129.45
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=NO1	REAL300007701976	1	35	-2.0	-105.49	318.01	0.48	-105.01
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=NO1	REAL300007701994	1	32	-2.0	-103.31	300.03	-0.24	-103.55
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=NO1	REAL300007701998	0	31	-2.0	-123.31	293.70	-0.15	-123.46
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=NO1	REAL300007701999	1	31	-2.0	-126.52	296.96	-0.68	-127.20
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=NO1	REAL300007702027	1	37	-2.0	-115.66	333.03	3.16	-112.50
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=NO1	REAL300007702039	1	32	-2.0	-125.88	292.23	0.45	-125.43
CC1=NC(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300007702044	0	38	-2.0	-138.09	338.31	2.47	-135.62
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=NO1	REAL300007702048	1	32	-2.0	-99.02	314.68	0.30	-98.72
CC1=NC(C(C)(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=NO1	REAL300007702070	1	32	-2.0	-117.10	315.89	1.99	-115.11
CC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=C(Cl)C=CC=C1Cl	REAL300007702119	1	33	-2.0	-119.38	315.48	5.76	-113.62
COC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300007702301	0	38	-2.0	-133.33	352.85	6.85	-126.48
CC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300007702383	1	32	-2.0	-121.83	307.23	3.96	-117.87
CC1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=CC=C1[N+](=O)[O-]	REAL300007702423	0	39	-2.0	-137.88	363.91	7.30	-130.58
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(C1=CC=CC=C1)C(F)(F)F	REAL300007702471	1	34	-2.0	-124.74	320.08	3.50	-121.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007702475	1	34	-2.0	-102.16	328.74	4.84	-97.32
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007702476	1	37	-2.0	-101.59	346.97	5.31	-96.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007702482	1	34	-2.0	-102.16	328.74	4.84	-97.32
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007702489	1	34	-2.0	-99.56	328.98	4.58	-94.98
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(C1=CC=CC=C1)C(F)(F)F	REAL300007702493	1	33	-2.0	-123.62	321.51	4.69	-118.93
O=C([O-])C1=C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)SC=N1	REAL300007702494	1	33	-2.0	-122.79	325.55	4.18	-118.61
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007702509	1	37	-2.0	-104.42	346.71	5.43	-98.99
O=C([O-])C1=C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)OC=C1	REAL300007702510	1	34	-2.0	-123.76	325.33	4.90	-118.86
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(C1=CC=CC=C1)C(F)(F)F	REAL300007702512	1	34	-2.0	-124.74	320.08	3.50	-121.24
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007702516	0	34	-2.0	-95.46	343.64	5.11	-90.35
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(C1=CC=CC=C1)C(F)(F)F	REAL300007702528	1	34	-2.0	-124.74	320.08	3.50	-121.24
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(C2)CCCCCC3)C=C1C(=O)[O-]	REAL300007702679	0	48	-2.0	-134.28	375.97	7.73	-126.55
CCOC1=CC(C)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007702767	1	37	-2.0	-131.43	342.42	3.87	-127.56
CCOC1=CC(C)=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007702808	0	44	-2.0	-138.12	393.22	6.97	-131.15
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OCCC(C)C)=C1	REAL300007702909	1	46	-2.0	-135.03	402.98	5.97	-129.06
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC(C)C)=C1	REAL300007702972	1	40	-2.0	-133.52	360.34	4.50	-129.02
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OCC2CC2)=C1	REAL300007703056	1	41	-2.0	-133.70	374.09	5.45	-128.25
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC(C)(C)C)=C1	REAL300007703129	1	43	-2.0	-135.33	371.47	4.78	-130.55
CCCOC1=CC(C)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007703205	1	40	-2.0	-132.97	363.92	4.67	-128.30
CCC(C)OC1=CC(C)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007703289	1	43	-2.0	-134.44	381.10	5.32	-129.12
CSC1=CC(C)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007703366	1	34	-2.0	-125.53	328.53	4.45	-121.08
CSC1=CC(C)=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007703406	0	41	-2.0	-138.05	380.59	7.59	-130.46
CCC1(C)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007703640	0	40	-2.0	-134.70	342.85	6.77	-127.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCOCC3)C2)C=C1C(=O)[O-]	REAL300007703820	0	45	-2.0	-137.26	378.30	6.45	-130.81
CCC(CSC)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007704096	0	40	-2.0	-139.94	354.88	7.41	-132.53
CC(C)C1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007704213	0	46	-2.0	-138.36	376.37	7.23	-131.13
CC(C)C1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007704217	1	40	-2.0	-96.28	345.92	4.81	-91.47
COCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCCC1	REAL300007704391	0	50	-2.0	-137.04	401.90	6.28	-130.76
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCC1	REAL300007704395	1	44	-2.0	-99.59	374.73	3.67	-95.92
COCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007704502	0	47	-2.0	-134.46	392.19	5.84	-128.62
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007704506	1	41	-2.0	-98.25	364.23	3.25	-95.00
CCOCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007704608	0	50	-2.0	-134.78	414.05	6.81	-127.97
CCOCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007704612	1	44	-2.0	-99.00	386.08	4.22	-94.78
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2CCOC2)C2=CC=CC=C2)=C1	REAL300007704692	1	42	-2.0	-98.34	378.27	5.62	-92.72
CCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007704796	0	43	-2.0	-134.75	359.65	6.87	-127.88
CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007704800	1	37	-2.0	-96.15	330.56	4.19	-91.96
CCC(CSC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007704905	0	37	-2.0	-139.69	343.36	5.49	-134.20
CCC(CSC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007704909	1	31	-2.0	-96.40	315.03	3.23	-93.17
CC(C)CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007705015	0	49	-2.0	-134.74	392.09	8.00	-126.74
CC(C)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007705019	1	43	-2.0	-97.09	362.99	5.50	-91.59
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CN(CC2=CC=CC=C2)N=C1	REAL300007705080	1	40	-2.0	-124.06	370.83	5.45	-118.61
CCOC1=CC=CC=C1C(CC(C)C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007705180	1	46	-2.0	-131.56	380.43	6.19	-125.37
CC(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1F	REAL300007705308	1	36	-2.0	-115.10	344.58	5.74	-109.36
COCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)O1	REAL300007705428	0	42	-2.0	-138.64	362.40	4.31	-134.33
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2CCCCO2)C=C1C(=O)[O-]	REAL300007705548	0	44	-2.0	-137.29	379.10	5.72	-131.57
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2CCCCO2)=C1	REAL300007705552	1	38	-2.0	-96.64	349.67	3.04	-93.60
CN(CCC1=CN=CC=N1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007705667	0	38	-2.0	-142.20	349.46	4.98	-137.22
CCC(CC)C1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007705772	0	50	-2.0	-134.86	402.38	6.31	-128.55
CCC(CC)C1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007705776	1	44	-2.0	-95.43	375.32	4.15	-91.28
CC(C)CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007705883	0	47	-2.0	-135.25	392.25	5.99	-129.26
CC(C)CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007705887	1	41	-2.0	-94.79	361.84	3.55	-91.24
CC(C)C1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007706001	0	44	-2.0	-135.00	370.53	5.22	-129.78
CC(C)C1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007706005	1	38	-2.0	-94.95	338.90	2.87	-92.08
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC(C3CC3)C2)C=C1C(=O)[O-]	REAL300007706121	0	42	-2.0	-135.56	360.17	5.63	-129.93
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC(C3CC3)C2)=C1	REAL300007706125	1	36	-2.0	-93.55	329.01	3.45	-90.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300007706239	0	45	-2.0	-134.29	372.45	5.57	-128.72
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3(CCCC3)C2)=C1	REAL300007706243	1	39	-2.0	-95.92	339.99	3.08	-92.84
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCOC3)C2)C=C1C(=O)[O-]	REAL300007706354	0	43	-2.0	-137.75	363.46	3.03	-134.72
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3(CCOC3)C2)=C1	REAL300007706358	1	37	-2.0	-94.14	331.24	0.54	-93.60
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCCCC3)C2)C=C1C(=O)[O-]	REAL300007706462	0	48	-2.0	-133.81	387.90	6.34	-127.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3(CCCCC3)C2)=C1	REAL300007706466	1	42	-2.0	-96.13	355.54	3.83	-92.30
COCC1(C)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007706576	0	44	-2.0	-138.72	366.88	6.08	-132.64
CC1=CC=C(OC(F)F)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007706651	1	34	-2.0	-124.56	330.32	3.23	-121.33
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC2CCOC2)=C1	REAL300007706716	1	42	-2.0	-128.25	374.56	3.19	-125.06
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOC2CCOC2)C=C1C(=O)[O-]	REAL300007706828	0	42	-2.0	-136.76	374.07	3.30	-133.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOC2CCOC2)=C1	REAL300007706832	1	36	-2.0	-93.88	344.61	0.61	-93.27
CC(COC1CCOC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007706948	0	42	-2.0	-135.16	367.98	3.23	-131.93
CC(COC1CCOC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007706952	1	36	-2.0	-95.29	337.95	0.81	-94.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCSCC1	REAL300007709117	1	35	-2.0	-120.05	312.40	5.84	-114.21
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)C([N+](=O)[O-])=N1	REAL300007709258	1	37	-2.0	-130.08	325.98	5.99	-124.09
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)C(C(F)(F)F)=N1	REAL300007709311	1	35	-2.0	-122.72	314.68	4.14	-118.58
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCSCC1	REAL300007709314	1	35	-2.0	-126.50	305.85	5.76	-120.74
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)C(N)=NO1	REAL300007709364	1	33	-2.0	-111.43	283.75	2.71	-108.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)=N1	REAL300007709398	0	34	-2.0	-139.91	304.56	4.19	-135.72
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)=C(C2=CC=CC=C2)O1	REAL300007709506	1	41	-2.0	-138.72	352.79	4.33	-134.39
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)=N1	REAL300007709519	1	34	-2.0	-123.10	297.04	2.21	-120.89
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)C(F)=C1	REAL300007709530	1	36	-2.0	-129.20	313.92	4.88	-124.32
CCC(CC)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007712037	1	36	-2.0	-126.13	309.62	4.80	-121.33
CCN1C=C(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007712169	1	38	-2.0	-132.18	322.30	4.82	-127.36
CCC(CC)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007712220	1	36	-2.0	-121.82	310.71	2.97	-118.85
CCC(CC)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007712221	1	36	-2.0	-129.77	303.79	4.57	-125.20
CCC(CC)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007712300	0	35	-2.0	-142.87	302.37	2.93	-139.94
CCC(CC)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007712405	1	42	-2.0	-143.93	350.07	3.21	-140.72
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007712424	1	37	-2.0	-131.49	311.44	3.90	-127.59
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300007714036	1	40	-2.0	-101.91	362.91	1.69	-100.22
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)C([N+](=O)[O-])=N1	REAL300007714354	1	33	-2.0	-135.54	326.25	5.58	-129.96
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)C(C(F)(F)F)=N1	REAL300007714404	1	31	-2.0	-130.19	314.57	3.55	-126.64
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)C(N)=NO1	REAL300007714453	1	29	-2.0	-120.84	283.48	2.04	-118.80
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)=N1	REAL300007714484	0	30	-2.0	-147.80	303.02	3.70	-144.10
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)=C(C2=CC=CC=C2)O1	REAL300007714589	1	37	-2.0	-146.92	352.18	3.83	-143.09
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)=N1	REAL300007714601	1	30	-2.0	-132.23	296.65	1.58	-130.65
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CS2)C(F)=C1	REAL300007714613	1	32	-2.0	-140.95	315.83	4.19	-136.76
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CS1	REAL300007714627	1	25	-2.0	-131.53	276.64	3.14	-128.39
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007717017	1	43	-2.0	-131.93	370.34	6.39	-125.54
CCN1C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007717153	1	45	-2.0	-140.96	382.73	6.86	-134.10
CN1C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007717203	1	43	-2.0	-134.52	372.32	4.79	-129.73
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007717206	1	43	-2.0	-139.90	363.92	6.32	-133.58
CC1=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(N)=NO1	REAL300007717261	1	41	-2.0	-124.20	335.51	3.89	-120.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=N1	REAL300007717293	0	42	-2.0	-149.80	354.10	5.31	-144.49
CC1=NC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007717398	1	49	-2.0	-151.04	409.96	4.91	-146.13
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=N1	REAL300007717410	1	42	-2.0	-135.12	349.82	3.41	-131.71
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300007717421	1	44	-2.0	-139.13	372.17	5.50	-133.63
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300007717479	1	24	-2.0	-115.87	274.46	3.53	-112.34
CC1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007717587	1	33	-2.0	-119.11	317.29	5.22	-113.89
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007717624	0	30	-2.0	-118.43	306.73	3.76	-114.67
CN1C=CC(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=N1	REAL300007717635	1	27	-2.0	-130.48	268.39	1.52	-128.96
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007717644	1	29	-2.0	-134.22	281.25	5.34	-128.88
CC1=NOC(C)=C1S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300007717678	1	29	-2.0	-111.49	276.72	2.93	-108.56
CCN1C=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007717765	0	32	-2.0	-128.23	314.13	4.60	-123.63
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007717769	1	30	-2.0	-146.79	293.66	3.12	-143.67
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007717801	1	33	-2.0	-125.62	343.39	4.05	-121.57
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007717816	1	33	-2.0	-125.56	336.99	3.98	-121.58
CN1C=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007717820	0	30	-2.0	-120.42	310.39	2.20	-118.22
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007717823	0	30	-2.0	-128.14	295.23	4.30	-123.84
CC1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])O1	REAL300007717835	1	27	-2.0	-123.18	270.07	2.72	-120.46
COC1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])SC=C1	REAL300007717840	1	28	-2.0	-129.77	291.85	2.01	-127.76
CC1=NC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])S1	REAL300007717871	1	26	-2.0	-119.48	274.00	1.74	-117.74
CCC1=NC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])S1	REAL300007717872	1	29	-2.0	-117.26	300.48	1.89	-115.37
CC1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C(N)=NO1	REAL300007717873	0	28	-2.0	-110.25	271.92	1.28	-108.97
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007717901	1	30	-2.0	-121.17	305.22	3.42	-117.75
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=N1	REAL300007717908	0	29	-2.0	-138.55	291.89	2.63	-135.92
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007717936	1	33	-2.0	-123.39	332.32	4.82	-118.57
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])S1	REAL300007717941	1	35	-2.0	-120.87	334.14	3.58	-117.29
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007717942	1	33	-2.0	-127.61	324.24	3.94	-123.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300007717943	1	32	-2.0	-139.21	307.21	3.47	-135.74
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007717982	1	27	-2.0	-122.70	285.49	4.28	-118.42
CCC1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])O1	REAL300007717988	1	30	-2.0	-123.15	291.55	3.51	-119.64
CC1=NC(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007718015	0	36	-2.0	-138.25	341.52	2.87	-135.38
CCN1N=CC(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=N1	REAL300007718028	0	29	-2.0	-119.87	284.40	0.83	-119.04
CC1=COC(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=C1	REAL300007718033	1	27	-2.0	-123.50	270.06	2.59	-120.91
CC1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])O1	REAL300007718034	1	27	-2.0	-123.18	270.07	2.72	-120.46
COC1=CSC(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300007718036	1	32	-2.0	-125.95	318.47	1.92	-124.03
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300007718040	0	31	-2.0	-128.25	303.47	3.46	-124.79
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007718047	1	28	-2.0	-122.14	305.04	2.76	-119.38
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007718052	1	26	-2.0	-113.82	297.90	1.29	-112.53
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300007718054	1	24	-2.0	-116.31	269.18	1.81	-114.50
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300007718055	1	24	-2.0	-116.72	274.28	3.43	-113.29
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300007718062	1	30	-2.0	-121.90	308.16	1.59	-120.31
CCOC1=CC=CN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300007718089	1	33	-2.0	-138.52	316.42	2.42	-136.10
O=C([O-])C(CC(F)(F)F)[N-]S(=O)(=O)C1=CN=CS1	REAL300007718094	1	23	-2.0	-118.61	252.05	1.03	-117.58
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2Br)C(N)=NO1	REAL300007718202	1	32	-2.0	-90.22	318.12	2.61	-87.61
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300007718225	1	33	-2.0	-96.72	331.56	2.03	-94.69
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)C(Br)=C1	REAL300007718230	1	28	-2.0	-94.83	309.62	3.67	-91.16
CC1=NOC(C)=C1S(=O)(=O)[N-]CC1=C(C)N(CC(=O)[O-])N=C1C	REAL300007718385	1	39	-2.0	-96.52	347.82	2.79	-93.73
CCN1C=C(S(=O)(=O)[N-]CC2=C(C)N(CC(=O)[O-])N=C2C)C([N+](=O)[O-])=N1	REAL300007718452	1	42	-2.0	-109.11	385.05	4.72	-104.39
CC1=NN(CC(=O)[O-])C(C)=C1C[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300007718545	0	38	-2.0	-96.36	342.27	1.21	-95.15
CC1=NN(CC(=O)[O-])C(C)=C1C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007718573	0	39	-2.0	-114.49	362.87	2.87	-111.62
CCN1N=CC(S(=O)(=O)[N-]CC2=C(C)N(CC(=O)[O-])N=C2C)=N1	REAL300007718672	1	39	-2.0	-102.94	355.45	0.69	-102.25
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=C(C)N(CC(=O)[O-])N=C2C)C(F)=C1	REAL300007718683	1	41	-2.0	-106.99	372.71	3.41	-103.58
CC1=NN(CC(=O)[O-])C(C)=C1C[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300007718692	1	34	-2.0	-101.30	333.51	2.34	-98.96
CC(C)C(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007718868	1	39	-2.0	-115.31	324.60	5.18	-110.13
CCN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007718990	1	41	-2.0	-112.12	332.80	5.02	-107.10
CC(C)C(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007719035	1	39	-2.0	-106.20	322.46	3.08	-103.12
CC(C)C(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007719038	1	39	-2.0	-121.81	318.18	5.11	-116.70
CC1=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C(C)C)C(N)=NO1	REAL300007719083	1	37	-2.0	-103.67	296.01	1.74	-101.93
CC(C)C(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007719115	0	38	-2.0	-130.28	317.91	3.22	-127.06
CC1=NC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007719218	1	45	-2.0	-125.74	365.95	3.33	-122.41
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C(C)C)=N1	REAL300007719230	1	38	-2.0	-112.09	310.42	1.18	-110.91
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOC1	REAL300007719428	1	35	-2.0	-119.27	310.78	2.74	-116.53
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)C([N+](=O)[O-])=N1	REAL300007719569	1	37	-2.0	-120.65	324.15	3.09	-117.56
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)C(C(F)(F)F)=N1	REAL300007719622	1	35	-2.0	-117.21	313.20	1.13	-116.08
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOC1	REAL300007719625	1	35	-2.0	-125.80	304.37	2.68	-123.12
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)C(N)=NO1	REAL300007719674	1	33	-2.0	-109.18	282.79	-0.35	-109.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)=N1	REAL300007719710	0	34	-2.0	-135.89	302.86	1.17	-134.72
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)=C(C2=CC=CC=C2)O1	REAL300007719821	1	41	-2.0	-134.33	348.65	1.44	-132.89
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)=N1	REAL300007719834	1	34	-2.0	-121.28	295.36	-0.84	-122.12
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOC2)C(F)=C1	REAL300007719845	1	36	-2.0	-127.59	312.61	1.86	-125.73
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCOC1	REAL300007720058	1	38	-2.0	-124.15	326.78	3.65	-120.50
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)C([N+](=O)[O-])=N1	REAL300007720200	1	40	-2.0	-132.13	333.77	4.08	-128.05
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)C(C(F)(F)F)=N1	REAL300007720254	1	38	-2.0	-118.44	329.11	2.01	-116.43
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCOC1	REAL300007720257	1	38	-2.0	-131.60	318.31	3.63	-127.97
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)C(N)=NO1	REAL300007720307	1	36	-2.0	-111.81	296.70	0.62	-111.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)=N1	REAL300007720342	0	37	-2.0	-138.58	317.65	2.10	-136.48
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)=C(C2=CC=CC=C2)O1	REAL300007720450	1	44	-2.0	-137.17	363.48	2.41	-134.76
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)=N1	REAL300007720463	1	37	-2.0	-124.02	311.38	0.00	-124.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCOC2)C(F)=C1	REAL300007720475	1	39	-2.0	-127.12	326.54	2.82	-124.30
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=CS2)CCCOC1	REAL300007720529	1	31	-2.0	-120.29	277.12	0.28	-120.01
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300007720674	1	39	-2.0	-132.40	338.35	5.73	-126.67
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C([N+](=O)[O-])=N1	REAL300007720735	1	42	-2.0	-145.15	375.62	7.68	-137.47
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C(N)=NO1	REAL300007720823	0	38	-2.0	-129.18	330.87	4.22	-124.96
CC1=CC=C(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1C	REAL300007720851	1	39	-2.0	-156.15	350.28	5.57	-150.58
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300007720943	1	39	-2.0	-140.26	344.07	3.73	-136.53
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(N)=NO1	REAL300007721127	1	41	-2.0	-121.23	365.20	5.36	-115.87
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300007721182	1	42	-2.0	-125.09	368.85	4.61	-120.48
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC2=CC=CC=C2C=C1	REAL300007721187	1	37	-2.0	-128.17	356.39	6.49	-121.68
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=C(F)C=C1	REAL300007721905	1	37	-2.0	-121.57	352.02	5.87	-115.70
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CCOCC1	REAL300007726259	1	41	-2.0	-124.64	359.84	3.65	-120.99
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)C([N+](=O)[O-])=N1	REAL300007726385	1	43	-2.0	-137.85	373.99	4.08	-133.77
CN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)C(C(F)(F)F)=N1	REAL300007726431	1	41	-2.0	-128.68	363.66	2.11	-126.57
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCOCC1	REAL300007726434	1	41	-2.0	-132.27	353.44	3.58	-128.69
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)C(N)=NO1	REAL300007726484	1	39	-2.0	-113.19	323.62	0.58	-112.61
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)=N1	REAL300007726512	0	40	-2.0	-140.28	352.03	2.09	-138.19
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007726613	1	47	-2.0	-139.14	394.60	2.15	-136.99
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)=N1	REAL300007726624	1	40	-2.0	-124.81	338.03	0.02	-124.79
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2CCOCC2)C(F)=C1	REAL300007726635	1	42	-2.0	-130.16	354.25	2.76	-127.40
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300007726838	1	35	-2.0	-123.26	306.50	3.46	-119.80
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300007726979	1	37	-2.0	-133.93	319.76	3.64	-130.29
CC1=C(S(=O)(=O)[N-]C(CF)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007728015	1	30	-2.0	-117.00	285.21	3.49	-113.51
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007728038	0	39	-2.0	-110.26	357.40	-0.33	-110.59
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007728051	1	27	-2.0	-114.98	267.39	2.70	-112.28
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007728110	1	29	-2.0	-120.12	288.50	4.80	-115.32
CCN1C=C(S(=O)(=O)[N-]C(CF)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007728154	0	29	-2.0	-125.00	281.31	3.10	-121.90
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007728183	1	30	-2.0	-120.44	303.83	2.98	-117.46
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007728198	1	30	-2.0	-124.19	297.66	2.91	-121.28
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007728199	1	30	-2.0	-120.61	314.39	3.43	-117.18
CN1C=C(S(=O)(=O)[N-]C(CF)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007728201	0	27	-2.0	-117.85	271.22	1.11	-116.74
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007728276	1	30	-2.0	-118.08	297.83	3.12	-114.96
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C(CF)C(=O)[O-])S1	REAL300007728282	1	32	-2.0	-115.48	299.65	1.88	-113.60
O=C([O-])C(CF)[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007728283	1	30	-2.0	-125.00	284.90	2.87	-122.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C(CF)C(=O)[O-]	REAL300007728284	1	29	-2.0	-134.42	272.96	1.81	-132.61
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007728309	1	24	-2.0	-117.47	251.01	2.62	-114.85
CC1=NC(S(=O)(=O)[N-]C(CF)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007728329	1	33	-2.0	-132.31	307.27	1.20	-131.11
COC1=CSC(S(=O)(=O)[N-]C(CF)C(=O)[O-])=C1OC	REAL300007728336	1	29	-2.0	-117.87	283.98	0.26	-117.61
COC1=CC(F)=C(S(=O)(=O)[N-]C(CF)C(=O)[O-])C(F)=C1	REAL300007728339	0	28	-2.0	-121.52	268.97	1.81	-119.71
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007728347	1	25	-2.0	-119.01	272.72	1.03	-117.98
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007728353	1	23	-2.0	-113.18	258.57	0.21	-112.97
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C(CF)C(=O)[O-]	REAL300007728361	1	27	-2.0	-116.12	273.93	-0.12	-116.24
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007728363	1	29	-2.0	-113.71	285.32	4.50	-109.21
CC1=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C(N)=NO1	REAL300007729445	1	35	-2.0	-108.12	340.09	3.95	-104.17
CCN1N=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300007729458	1	36	-2.0	-114.78	353.79	3.39	-111.39
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(=O)[O-])C=C1	REAL300007729806	1	37	-2.0	-123.36	327.60	3.88	-119.48
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(OC)C=C2)C([N+](=O)[O-])=N1	REAL300007729864	1	40	-2.0	-137.77	364.76	5.82	-131.95
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1	REAL300007729950	0	36	-2.0	-123.57	322.77	2.25	-121.32
COC1=CC=C(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007729978	1	37	-2.0	-151.52	343.44	3.90	-147.62
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300007730067	1	37	-2.0	-135.40	337.05	1.77	-133.63
C=CCOCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007730768	1	35	-2.0	-127.48	336.98	3.05	-124.43
C=CCOCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007730898	1	37	-2.0	-141.46	344.39	3.89	-137.57
C=CCOCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007730946	1	35	-2.0	-134.71	335.71	2.07	-132.64
C=CCOCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007730949	1	35	-2.0	-138.09	323.67	3.66	-134.43
C=CCOCC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007730994	1	33	-2.0	-121.79	302.17	0.57	-121.22
C=CCOCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007731026	0	34	-2.0	-152.91	324.07	2.13	-150.78
C=CCOCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007731136	1	41	-2.0	-145.07	376.64	1.58	-143.49
C=CCOCC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300007731148	1	34	-2.0	-134.20	316.58	0.07	-134.13
C=CCOCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007731159	1	36	-2.0	-134.12	338.80	2.18	-131.94
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300007731222	1	24	-2.0	-116.91	270.08	3.24	-113.67
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007731263	1	32	-2.0	-110.10	309.06	5.84	-104.26
CC1=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007731326	1	33	-2.0	-120.83	314.85	4.86	-115.97
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007731366	1	30	-2.0	-119.79	297.28	4.08	-115.71
CCN1C=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007731496	1	32	-2.0	-124.03	309.50	4.57	-119.46
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007731501	1	30	-2.0	-147.27	286.47	3.04	-144.23
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007731530	1	33	-2.0	-124.15	332.01	4.45	-119.70
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007731542	1	33	-2.0	-133.44	327.53	4.32	-129.12
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007731543	1	33	-2.0	-126.50	343.37	4.98	-121.52
CN1C=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007731545	1	30	-2.0	-120.27	292.51	2.58	-117.69
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007731546	1	30	-2.0	-125.08	288.93	4.09	-120.99
CC1=NC=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])S1	REAL300007731585	1	26	-2.0	-117.72	273.84	1.00	-116.72
CCC1=NC=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])S1	REAL300007731586	1	29	-2.0	-116.94	296.21	1.59	-115.35
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007731609	1	30	-2.0	-119.66	305.03	2.67	-116.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])=N1	REAL300007731618	0	29	-2.0	-140.90	289.45	2.54	-138.36
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007731648	1	33	-2.0	-121.06	333.05	3.91	-117.15
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])S1	REAL300007731653	1	35	-2.0	-119.23	333.98	2.84	-116.39
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007731654	1	33	-2.0	-128.58	318.96	3.82	-124.76
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-]	REAL300007731655	1	32	-2.0	-139.44	301.79	3.19	-136.25
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007731692	1	27	-2.0	-121.82	284.71	3.39	-118.43
CC1=NC(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007731723	1	36	-2.0	-140.87	336.26	2.74	-138.13
COC1=CSC(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])=C1OC	REAL300007731740	1	32	-2.0	-128.42	314.10	1.66	-126.76
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-])C(F)=C1	REAL300007731744	0	31	-2.0	-126.01	303.28	2.75	-123.26
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007731758	1	26	-2.0	-124.01	287.55	1.77	-122.24
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300007731761	1	24	-2.0	-119.99	259.88	2.13	-117.86
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300007731762	1	24	-2.0	-118.65	267.09	3.36	-115.29
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-]	REAL300007731769	1	30	-2.0	-123.97	302.91	1.45	-122.52
O=C([O-])C(CC(F)F)[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007731774	1	32	-2.0	-121.66	309.06	5.84	-115.82
CCOC1=CC=CN=C1S(=O)(=O)[N-]C(CC(F)F)C(=O)[O-]	REAL300007731794	1	33	-2.0	-142.67	305.09	3.09	-139.58
CCOC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007731954	0	41	-2.0	-137.05	372.85	6.26	-130.79
CCCOC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007732066	0	44	-2.0	-136.68	394.35	7.06	-129.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2OC2CCCC2)=C1	REAL300007732153	1	42	-2.0	-103.93	386.06	5.58	-98.35
CCOC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007732255	0	41	-2.0	-137.24	372.88	6.26	-130.98
CC(C)OC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007732726	1	41	-2.0	-95.70	382.85	4.98	-90.72
CC1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007732829	0	41	-2.0	-142.56	357.28	7.94	-134.62
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CCOC2)C2CC2)C=C1C(=O)[O-]	REAL300007733103	0	42	-2.0	-137.89	356.22	6.51	-131.38
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC(F)=C2)C2CC2)C=C1C(=O)[O-]	REAL300007733410	0	41	-2.0	-139.78	356.58	8.67	-131.11
O=C([O-])C1=CC=C(S(=O)(=O)N(C2CC2)C2CCCC2)C=C1C(=O)[O-]	REAL300007733702	0	41	-2.0	-137.75	337.36	8.16	-129.59
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CS2)C2CC2)C=C1C(=O)[O-]	REAL300007733814	0	38	-2.0	-135.61	348.18	8.16	-127.45
CC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007733990	0	40	-2.0	-134.61	360.04	7.35	-127.26
COC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC)=C1OC	REAL300007734054	1	39	-2.0	-129.06	363.94	2.18	-126.88
CCC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007734178	0	40	-2.0	-135.61	364.38	7.47	-128.14
CC1=CC(C)=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007734292	0	43	-2.0	-135.32	377.52	7.73	-127.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(C3=CC=CC=C3)CC2)=C1	REAL300007734396	1	41	-2.0	-98.48	363.53	6.83	-91.65
CC(C)(C)C1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007734502	0	49	-2.0	-140.43	374.64	7.61	-132.82
CC(C)(C)C1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007734506	1	43	-2.0	-94.07	351.39	6.02	-88.05
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC=C2)C=C1C(=O)[O-]	REAL300007734603	0	31	-2.0	-133.42	311.51	4.98	-128.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CSC=C2)=C1	REAL300007734606	1	25	-2.0	-94.00	282.05	2.28	-91.72
CC(C)C1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007734709	0	43	-2.0	-135.58	381.72	7.96	-127.62
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300007734818	0	40	-2.0	-140.09	377.59	8.06	-132.03
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300007734968	1	34	-2.0	-125.57	323.07	3.59	-121.98
CCOC1=CC=CC=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007735046	1	37	-2.0	-127.35	335.33	4.18	-123.17
CCOC1=CC=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007735087	0	44	-2.0	-140.44	384.82	6.99	-133.45
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007735157	1	30	-2.0	-122.24	296.99	4.08	-118.16
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC(F)=CC=C1F	REAL300007735201	0	37	-2.0	-136.84	348.46	6.88	-129.96
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=C(Cl)C=CC(F)=C1Cl	REAL300007735258	1	30	-2.0	-111.41	308.24	4.66	-106.75
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCOC2)C=C1C(=O)[O-]	REAL300007735325	0	35	-2.0	-136.40	317.39	3.09	-133.31
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCOC2)=C1	REAL300007735327	1	29	-2.0	-94.04	288.17	0.47	-93.57
CC(C1=CC=CC(Cl)=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007735419	0	40	-2.0	-134.69	369.15	9.20	-125.49
CC1=CC=CC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007735563	0	40	-2.0	-136.70	357.79	8.64	-128.06
CN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007735677	0	37	-2.0	-133.43	349.08	8.10	-125.33
CN(C1CCSC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007735787	0	35	-2.0	-138.37	320.67	6.45	-131.92
CC1=CC=C(C(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007736020	0	43	-2.0	-135.72	371.55	8.91	-126.81
CC(C1=CC=C(Cl)C=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736129	0	40	-2.0	-134.13	369.14	9.20	-124.93
CC(C1=CC=CC=C1Cl)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736233	0	40	-2.0	-138.39	364.19	8.79	-129.60
CC(C1=CC=CO1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736341	0	37	-2.0	-134.78	335.77	6.64	-128.14
CC(C)C(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736461	0	39	-2.0	-134.42	334.33	7.00	-127.42
CC1=CC=CC=C1C(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736562	0	43	-2.0	-136.90	365.23	8.67	-128.23
CC(C1=CC(F)=CC=C1F)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736669	0	40	-2.0	-139.32	360.78	8.24	-131.08
CC1=CC(C)=NN1C1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=N1	REAL300007736722	1	39	-2.0	-120.43	366.09	4.88	-115.55
CCC1=CC=CC2=C1OCCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007736823	1	38	-2.0	-127.34	338.94	4.52	-122.82
COCCN(CC(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007736955	0	37	-2.0	-140.42	334.10	4.91	-135.51
CC1=CSC(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007737316	0	39	-2.0	-139.48	371.09	5.30	-134.18
CC1=CSC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007737320	1	33	-2.0	-96.26	341.65	2.62	-93.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(OCC(F)F)=C2)=C1	REAL300007737456	1	35	-2.0	-103.81	356.44	3.88	-99.93
COC1=CC(OC)=C(OC)C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007737506	1	39	-2.0	-127.33	357.87	1.47	-125.86
CC1=CC=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007737630	0	40	-2.0	-135.70	364.43	7.48	-128.22
CC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007737634	1	34	-2.0	-96.48	334.97	4.80	-91.68
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CCCCC2)C=C1C(=O)[O-]	REAL300007737953	0	47	-2.0	-136.69	386.73	9.42	-127.27
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007738071	0	41	-2.0	-140.15	376.74	6.15	-134.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2=CC=CC=C2)=C1	REAL300007738075	1	35	-2.0	-98.69	347.52	3.43	-95.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(F)=CC3=C2OCOC3)=C1	REAL300007738169	1	34	-2.0	-100.99	341.92	2.50	-98.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300007738273	0	38	-2.0	-139.86	339.96	6.80	-133.06
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3)CC2)=C1	REAL300007738277	1	32	-2.0	-98.77	315.15	4.87	-93.90
CC1=CC=CC=C1C1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007738385	0	44	-2.0	-133.10	383.18	8.42	-124.68
CC1=CC=CC=C1C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007738389	1	38	-2.0	-96.94	358.93	5.84	-91.10
CC1=CC=CC(C2(C[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCCC2)=C1	REAL300007738647	1	44	-2.0	-99.66	388.86	7.24	-92.42
CN1C=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300007738993	0	40	-2.0	-140.49	367.34	5.38	-135.11
CN1C=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=N1	REAL300007738997	1	34	-2.0	-97.43	337.88	2.70	-94.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC3=C2C=CS3)C=C1C(=O)[O-]	REAL300007739125	0	38	-2.0	-135.19	353.00	6.90	-128.29
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC3=C2C=CS3)=C1	REAL300007739129	1	32	-2.0	-97.81	323.19	4.27	-93.54
CC1=CSC(CCCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007739319	0	42	-2.0	-138.66	392.59	6.08	-132.58
CC1=CSC(CCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007739323	1	36	-2.0	-96.48	363.15	3.41	-93.07
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007739640	0	43	-2.0	-135.03	373.71	8.98	-126.05
CCCCC1CCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007739832	0	46	-2.0	-135.23	388.62	7.86	-127.37
CCCCC1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007739836	1	40	-2.0	-96.73	354.68	5.72	-91.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(F)C=CC(F)=C3C2)C=C1C(=O)[O-]	REAL300007740065	0	38	-2.0	-134.60	350.08	8.20	-126.40
CC1=CC=C(F)C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007740228	0	40	-2.0	-136.25	363.88	8.46	-127.79
C=CCCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007740409	0	38	-2.0	-138.21	351.14	4.47	-133.74
C=CCCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007740413	1	32	-2.0	-96.44	321.92	1.75	-94.69
CN(CCOCC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007740591	0	41	-2.0	-137.39	363.00	6.59	-130.80
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC=C1F	REAL300007740687	1	38	-2.0	-103.07	361.26	4.21	-98.86
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC(F)=C1	REAL300007740770	1	38	-2.0	-98.63	361.50	4.23	-94.40
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C	REAL300007740866	0	40	-2.0	-133.64	350.31	4.05	-129.59
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)C	REAL300007740870	1	34	-2.0	-96.80	320.00	1.29	-95.51
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)C=C1	REAL300007740943	0	38	-2.0	-92.21	350.64	5.33	-86.88
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740944	0	38	-2.0	-103.63	350.71	5.32	-98.31
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(F)(F)F)C=C1	REAL300007740945	0	35	-2.0	-117.88	333.39	4.99	-112.89
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740946	0	38	-2.0	-103.63	350.71	5.32	-98.31
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)C=C1	REAL300007740947	0	38	-2.0	-92.21	350.64	5.33	-86.88
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740948	0	38	-2.0	-123.99	341.08	6.28	-117.71
COC1=CC=C(C([N-]S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740949	0	36	-2.0	-100.58	339.23	3.06	-97.52
COC1=CC=C(C([N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(F)(F)F)C=C1	REAL300007740950	0	38	-2.0	-97.43	355.27	3.46	-93.97
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)(F)F)C=C1	REAL300007740951	0	35	-2.0	-93.65	342.92	4.45	-89.20
COC1=CC=C(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740952	0	35	-2.0	-119.60	326.82	2.38	-117.22
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740953	0	38	-2.0	-123.99	341.08	6.28	-117.71
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)C=C1	REAL300007740954	0	35	-2.0	-98.31	335.41	3.70	-94.61
COC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C(F)(F)F)C=C1	REAL300007740955	0	38	-2.0	-100.16	353.64	4.17	-95.99
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)C=C1	REAL300007740956	0	35	-2.0	-98.31	335.41	3.70	-94.61
COC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)(F)F)C=C1	REAL300007740957	0	35	-2.0	-99.24	343.84	4.35	-94.89
COC1=CC=C(C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740958	0	35	-2.0	-99.63	342.36	4.36	-95.27
COC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(F)(F)F)C=C1	REAL300007740959	0	35	-2.0	-98.06	335.66	3.43	-94.63
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740960	0	38	-2.0	-99.53	353.67	4.47	-95.06
COC1=CC=C(C([N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740961	0	37	-2.0	-94.54	345.87	3.53	-91.01
COC1=CC=C(C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740962	0	34	-2.0	-117.48	328.97	3.56	-113.92
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(F)(F)F)C=C1	REAL300007740963	0	34	-2.0	-122.70	331.17	3.07	-119.63
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740964	0	37	-2.0	-123.85	333.79	4.27	-119.58
COC1=CC=C(C([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)C=C1	REAL300007740965	0	43	-2.0	-93.46	388.34	5.34	-88.12
COC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(F)(F)F)C=C1	REAL300007740966	0	37	-2.0	-92.97	346.57	3.54	-89.43
COC1=CC=C(C([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(F)(F)F)C=C1	REAL300007740967	0	41	-2.0	-104.04	369.54	5.04	-99.00
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)C=C1	REAL300007740968	0	38	-2.0	-112.49	344.94	3.78	-108.71
COC1=CC=C(C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C(F)(F)F)C=C1	REAL300007740969	0	38	-2.0	-100.47	353.38	4.29	-96.18
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(F)(F)F)C=C1	REAL300007740970	0	35	-2.0	-119.01	327.93	4.17	-114.84
COC1=CC=C(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740971	0	35	-2.0	-119.60	326.82	2.38	-117.22
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)C=C1	REAL300007740972	0	38	-2.0	-112.49	344.94	3.78	-108.71
COC1=CC=C(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740973	0	35	-2.0	-94.64	334.13	1.59	-93.05
COC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(F)(F)F)C=C1	REAL300007740974	0	38	-2.0	-98.73	352.16	3.06	-95.67
COC1=CC=C(C([N-]S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740975	0	38	-2.0	-98.60	355.94	4.49	-94.11
COC1=CC=C(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)C=C1	REAL300007740976	0	35	-2.0	-94.64	334.13	1.59	-93.05
COC1=CC=C(C([N-]S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740977	0	38	-2.0	-117.60	339.34	4.88	-112.72
COC1=CC=C(C([N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(F)(F)F)C=C1	REAL300007740978	0	37	-2.0	-114.91	336.60	4.42	-110.49
CN(CC1(C2=CC=CC=C2)CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007741060	0	44	-2.0	-139.43	368.01	9.40	-130.03
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300007741265	0	39	-2.0	-150.36	362.38	7.15	-143.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007741269	1	33	-2.0	-108.69	333.05	4.50	-104.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCOC3)C2)C=C1C(=O)[O-]	REAL300007741518	0	39	-2.0	-134.97	339.48	4.87	-130.10
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741664	1	39	-2.0	-126.86	365.45	4.39	-122.47
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741671	1	39	-2.0	-128.64	357.70	1.72	-126.92
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741675	1	39	-2.0	-105.13	366.35	3.04	-102.09
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741680	1	39	-2.0	-105.13	366.35	3.04	-102.09
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741684	1	39	-2.0	-104.78	366.60	2.78	-102.00
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741687	0	38	-2.0	-127.32	359.91	2.90	-124.42
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741688	1	38	-2.0	-130.71	363.16	2.38	-128.33
CC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741689	1	41	-2.0	-135.78	368.80	3.81	-131.97
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741696	1	39	-2.0	-128.08	358.81	3.52	-124.56
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741698	1	39	-2.0	-128.64	357.70	1.72	-126.92
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741710	1	39	-2.0	-128.64	357.70	1.72	-126.92
CC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NOC(CC2=CC=CC=C2)=N1	REAL300007741712	1	41	-2.0	-123.36	367.54	3.71	-119.65
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1=NC(C(F)(F)F)=CS1	REAL300007741723	1	36	-2.0	-97.84	362.31	3.24	-94.60
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC(C(F)(F)F)=CS1	REAL300007741728	1	33	-2.0	-96.40	344.32	2.51	-93.89
CCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC(C(F)(F)F)=CS1	REAL300007741738	1	33	-2.0	-118.14	336.15	3.27	-114.87
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=CC=C2)=N1	REAL300007741765	1	36	-2.0	-129.03	335.79	0.98	-128.05
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741769	1	36	-2.0	-107.12	344.44	2.34	-104.78
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741776	1	36	-2.0	-107.12	344.44	2.34	-104.78
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741783	1	36	-2.0	-106.04	344.69	2.09	-103.95
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NOC(C2=CC=CC=C2)=N1	REAL300007741787	0	35	-2.0	-130.51	338.00	2.21	-128.30
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741788	1	35	-2.0	-128.44	340.16	1.66	-126.78
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741804	1	36	-2.0	-128.48	336.90	2.78	-125.70
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=CC=C2)=N1	REAL300007741806	1	36	-2.0	-129.03	335.79	0.98	-128.05
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NOC(C2=CC=CC=C2)=N1	REAL300007741810	1	36	-2.0	-101.69	359.34	2.64	-99.05
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=CC=C2)=N1	REAL300007741822	1	36	-2.0	-129.03	335.79	0.98	-128.05
COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007741938	1	34	-2.0	-118.35	333.26	3.61	-114.74
CC1=CC(F)=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007742140	0	40	-2.0	-136.82	364.76	7.35	-129.47
CC1=CC(F)=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007742144	1	34	-2.0	-92.81	335.34	4.67	-88.14
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(F)C=C(F)C=C3C2)C=C1C(=O)[O-]	REAL300007742383	0	38	-2.0	-137.18	351.24	8.23	-128.95
CCOCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007742568	0	41	-2.0	-134.13	362.00	5.78	-128.35
CN(CC1CCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007742791	0	38	-2.0	-136.91	330.35	5.12	-131.79
CC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300007742901	0	40	-2.0	-136.89	362.25	7.35	-129.54
COC1=CC=CC=C1C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007742990	1	42	-2.0	-99.65	381.29	5.14	-94.51
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)(C)C	REAL300007743182	0	43	-2.0	-136.55	365.12	4.80	-131.75
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)(C)C	REAL300007743186	1	37	-2.0	-95.46	336.77	2.21	-93.25
COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007743465	1	34	-2.0	-116.88	329.24	3.20	-113.68
CC1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2=CC=CC3=CC=CC=C32)C(N)=NO1	REAL300007744894	1	41	-2.0	-122.73	350.38	5.33	-117.40
CCN1N=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300007744941	1	42	-2.0	-133.82	363.54	4.82	-129.00
CC1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(N)=NO1	REAL300007745103	1	41	-2.0	-119.92	365.00	5.36	-114.56
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300007745158	1	42	-2.0	-128.55	378.01	4.91	-123.64
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC2=CC=CC=C2C=C1	REAL300007745163	1	37	-2.0	-128.58	356.02	6.51	-122.07
CCN1C=C(S(=O)(=O)[N-]C(C)C2=CC=C(OCC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007745366	1	43	-2.0	-99.79	388.87	6.78	-93.01
CC1=C(S(=O)(=O)[N-]C(C)C2=CC=C(OCC(=O)[O-])C=C2)C(N)=NO1	REAL300007745452	1	39	-2.0	-88.25	345.02	3.33	-84.92
CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=CC=C(OCC(=O)[O-])C=C1	REAL300007745473	1	40	-2.0	-105.46	365.64	4.91	-100.55
CCN1N=CC(S(=O)(=O)[N-]C(C)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300007745561	1	40	-2.0	-94.93	359.29	2.77	-92.16
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300007745764	1	36	-2.0	-121.49	326.67	5.23	-116.26
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C([N+](=O)[O-])=N1	REAL300007745836	1	39	-2.0	-133.66	363.90	7.17	-126.49
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(N)=NO1	REAL300007745938	0	35	-2.0	-119.00	321.12	3.65	-115.35
CC1=CC(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=CC=C1F	REAL300007745970	1	36	-2.0	-146.07	340.65	5.04	-141.03
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300007746072	1	36	-2.0	-129.24	332.36	3.23	-126.01
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(F)=C1	REAL300007746083	1	38	-2.0	-138.25	351.56	5.84	-132.41
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C([N+](=O)[O-])=N1	REAL300007746278	1	41	-2.0	-143.66	371.43	6.13	-137.53
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(N)=NO1	REAL300007746354	1	37	-2.0	-124.37	328.38	2.85	-121.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300007746373	0	38	-2.0	-152.88	349.85	4.18	-148.70
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300007746452	1	38	-2.0	-135.38	343.48	2.31	-133.07
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300007746618	1	39	-2.0	-132.63	342.75	5.85	-126.78
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C([N+](=O)[O-])=N1	REAL300007746679	1	42	-2.0	-145.32	385.09	7.20	-138.12
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(N)=NO1	REAL300007746767	0	38	-2.0	-127.16	342.18	3.69	-123.47
CC1=CC(C)=CC(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300007746795	1	39	-2.0	-162.24	358.05	5.59	-156.65
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300007746887	1	39	-2.0	-140.39	348.62	3.83	-136.56
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(=O)[O-])C=C1Cl	REAL300007746980	1	37	-2.0	-119.51	350.29	3.79	-115.72
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1Cl	REAL300007747044	0	36	-2.0	-119.73	338.00	2.86	-116.87
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=N1	REAL300007747091	1	37	-2.0	-128.17	358.21	1.69	-126.48
COC1=CC=C(C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(=O)[O-])C=C1Cl	REAL300007747093	1	32	-2.0	-130.56	329.25	4.02	-126.54
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300007747242	1	39	-2.0	-126.93	327.24	5.65	-121.28
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2C)C([N+](=O)[O-])=N1	REAL300007747303	1	42	-2.0	-144.09	363.77	7.35	-136.74
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=C(C)C(C)=CC=C2)C(N)=NO1	REAL300007747391	0	38	-2.0	-124.55	329.50	3.41	-121.14
CC1=CC=CC(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=C1C	REAL300007747419	1	39	-2.0	-153.64	341.09	5.42	-148.22
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300007747511	1	39	-2.0	-139.34	338.42	3.53	-135.81
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2C)C(=O)[O-])C=C1F	REAL300007747643	1	37	-2.0	-119.58	340.49	3.32	-116.26
COC1=CC=C(C([N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1F	REAL300007747748	0	36	-2.0	-120.36	330.12	2.31	-118.05
COC1=CC=C(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1F	REAL300007747765	1	37	-2.0	-152.58	350.93	3.89	-148.69
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300007747835	1	37	-2.0	-128.37	348.40	1.22	-127.15
COC1=CC=C(C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C(=O)[O-])C=C1F	REAL300007747842	1	32	-2.0	-132.10	321.37	3.48	-128.62
CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007750046	1	43	-2.0	-126.87	382.07	7.40	-119.47
CCN1C=C(S(=O)(=O)[N-]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007750143	1	45	-2.0	-124.49	385.25	7.65	-116.84
CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007750181	1	43	-2.0	-133.50	375.65	7.34	-126.16
CC1=C(S(=O)(=O)[N-]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007750233	1	41	-2.0	-115.77	347.43	4.24	-111.53
CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007750255	0	42	-2.0	-144.03	374.25	5.86	-138.17
CCN1N=CC(S(=O)(=O)[N-]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007750346	1	42	-2.0	-124.75	360.01	3.72	-121.03
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007750356	1	44	-2.0	-127.58	374.22	6.48	-121.10
CCC([N-]S(=O)(=O)C1=C(C)ON=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300007751015	1	39	-2.0	-121.91	321.98	5.92	-115.99
CCN1C=C(S(=O)(=O)[N-]C(CC)(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007751076	1	42	-2.0	-123.31	363.15	7.54	-115.77
CCC([N-]S(=O)(=O)C1=C(C)ON=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300007751164	0	38	-2.0	-120.54	316.58	4.36	-116.18
CCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300007751192	1	39	-2.0	-148.57	337.17	5.75	-142.82
CCN1N=CC(S(=O)(=O)[N-]C(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007751284	1	39	-2.0	-134.20	330.81	3.88	-130.32
COC1=CC=CC(C(C)(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)=C1	REAL300007751402	1	43	-2.0	-119.98	356.44	4.81	-115.17
COC1=CC=CC(C(C)(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)=C1	REAL300007751483	0	42	-2.0	-117.71	350.89	3.23	-114.48
COC1=CC=CC(C(C)(CC(=O)[O-])[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300007751499	1	43	-2.0	-140.20	370.63	4.69	-135.51
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300007751547	1	43	-2.0	-129.39	364.06	2.71	-126.68
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300007755382	1	33	-2.0	-106.03	333.50	4.79	-101.24
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300007755437	1	31	-2.0	-101.51	321.82	2.74	-98.77
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)C(N)=NO1	REAL300007755490	1	29	-2.0	-93.63	290.72	1.27	-92.36
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)=N1	REAL300007755525	0	30	-2.0	-112.27	310.27	2.88	-109.39
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300007755632	1	37	-2.0	-110.28	357.60	3.08	-107.20
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)=N1	REAL300007755645	1	30	-2.0	-100.83	303.89	0.75	-100.08
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])S2)C(F)=C1	REAL300007755657	1	32	-2.0	-104.25	321.17	3.47	-100.78
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)S1	REAL300007755671	1	25	-2.0	-98.48	281.95	2.40	-96.08
COCC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007756011	0	41	-2.0	-137.11	376.56	5.76	-131.35
COCC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007756085	1	34	-2.0	-121.84	316.68	2.62	-119.22
COCC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007756129	0	41	-2.0	-134.43	371.21	5.86	-128.57
COCC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007756247	0	41	-2.0	-136.87	376.59	5.75	-131.12
CCOCC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007756359	0	44	-2.0	-137.13	398.41	6.73	-130.40
CCOCC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007756428	1	37	-2.0	-123.57	338.54	3.60	-119.97
CCOCC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007756469	0	44	-2.0	-135.97	393.05	6.83	-129.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCN2CCC3=CC=CC=C3C2)=C1	REAL300007756621	1	40	-2.0	-97.06	366.79	3.21	-93.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300007756801	0	38	-2.0	-140.24	334.78	8.43	-131.81
CC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300007756961	0	43	-2.0	-135.96	373.95	7.85	-128.11
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)S1	REAL300007757032	1	27	-2.0	-114.73	293.83	3.48	-111.25
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(Cl)S1	REAL300007757075	0	34	-2.0	-131.28	346.34	6.41	-124.87
CC1=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C)S1	REAL300007757191	0	40	-2.0	-134.26	364.90	7.05	-127.21
CNS(=O)(=O)C1=CC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007757468	1	35	-2.0	-134.15	347.33	-0.90	-135.05
CC(C)OC1=CC=CC=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007757645	1	40	-2.0	-130.45	353.08	4.88	-125.57
COC1=CC=C(CCC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007757817	1	41	-2.0	-95.58	379.94	5.14	-90.44
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300007757919	1	37	-2.0	-121.92	346.47	4.25	-117.67
CCOC1=CC=CC=C1C(CC)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007757990	1	40	-2.0	-125.07	358.52	4.92	-120.15
CC(C)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007758244	0	40	-2.0	-136.07	337.43	7.45	-128.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCC2)C=C1C(=O)[O-]	REAL300007758590	0	47	-2.0	-136.80	379.21	9.31	-127.49
CC1=CC=CC=C1C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007758704	0	44	-2.0	-142.65	360.83	8.69	-133.96
CC1=CC=CC(C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007758817	0	44	-2.0	-138.31	384.40	9.77	-128.54
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2=CSC=C2)C=C1C(=O)[O-]	REAL300007758933	0	38	-2.0	-135.47	353.79	7.96	-127.51
CCN(CC1=CC=CC=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759090	0	43	-2.0	-135.57	374.71	9.58	-125.99
COCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759202	0	37	-2.0	-136.30	338.28	3.64	-132.66
COCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007759205	1	31	-2.0	-93.67	308.83	0.97	-92.70
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=C(F)C=CC=C2F)C=C1C(=O)[O-]	REAL300007759306	0	37	-2.0	-136.91	353.64	6.87	-130.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=C(F)C=CC=C2F)=C1	REAL300007759310	1	31	-2.0	-101.82	324.19	4.18	-97.64
COC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1OC	REAL300007759407	1	39	-2.0	-102.54	372.62	3.38	-99.16
CC1=CC=C(OCCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007759495	1	41	-2.0	-95.07	386.44	5.18	-89.89
CC(CC1=CC=CO1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759593	0	37	-2.0	-136.96	340.42	5.55	-131.41
CC(CC1=CC=CO1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007759597	1	31	-2.0	-97.36	310.18	3.14	-94.22
CC(CC1=CC=CC=C1F)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759705	0	40	-2.0	-131.87	361.34	7.76	-124.11
CC(CC1=CC=CC=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007759709	1	34	-2.0	-100.82	331.13	5.36	-95.46
CCN(CC1=CC=CC(Cl)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759816	0	40	-2.0	-134.05	372.62	9.31	-124.74
CCN(CC1=CC=CC=C1Cl)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007759920	0	40	-2.0	-137.74	372.44	9.55	-128.19
CC1CCCCC1OCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007760076	0	47	-2.0	-139.41	396.45	6.60	-132.81
CC1CCCCC1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007760080	1	41	-2.0	-99.37	367.23	3.89	-95.48
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCO1	REAL300007760252	0	38	-2.0	-134.84	328.43	5.22	-129.62
CC1=CC=CC=C1OCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007760470	0	44	-2.0	-136.24	393.05	7.17	-129.07
CC1=CC=CC=C1OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007760474	1	38	-2.0	-95.40	363.61	4.48	-90.92
CCN(C1CCCCC1C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007760579	0	46	-2.0	-135.36	371.10	8.65	-126.71
CC(C)(CCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007760677	0	46	-2.0	-137.16	382.62	8.28	-128.88
CC(C)(CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007760681	1	40	-2.0	-95.89	359.59	6.25	-89.64
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007760791	0	41	-2.0	-133.74	374.44	4.32	-129.42
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(O)CC2=CC=CC=C2)=C1	REAL300007760795	1	35	-2.0	-96.59	345.22	1.61	-94.98
CC1=NOC(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007760910	0	38	-2.0	-139.96	356.10	3.19	-136.77
CC1=NOC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007760914	1	32	-2.0	-94.65	326.64	0.51	-94.14
CCCC(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007761024	0	46	-2.0	-139.44	397.08	8.93	-130.51
CCCC(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007761028	1	40	-2.0	-95.87	373.19	6.59	-89.28
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=C(Cl)C=C3)CC2)=C1	REAL300007761121	1	35	-2.0	-93.55	359.30	5.86	-87.69
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1C	REAL300007761186	1	36	-2.0	-122.36	333.40	2.54	-119.82
CCN1N=C(C)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300007761230	0	43	-2.0	-135.53	384.20	5.63	-129.90
COC1=CC=CC=C1C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007761337	0	44	-2.0	-138.45	361.18	6.59	-131.86
CC1=CC(C)=C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007761438	0	44	-2.0	-136.02	367.61	9.57	-126.45
O=C([O-])C1=CC=C(S(=O)(=O)N2CCS(=O)(=O)CC2)C=C1C(=O)[O-]	REAL300007761546	0	34	-2.0	-141.77	319.70	2.12	-139.65
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1Cl	REAL300007761640	1	37	-2.0	-99.09	351.87	5.41	-93.68
CC(C)(C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007761730	0	42	-2.0	-134.25	359.84	6.26	-127.99
CC(C)(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007761734	1	36	-2.0	-94.29	330.39	3.58	-90.71
COC1=CC=CC2=C1CCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007761794	1	35	-2.0	-127.44	317.44	3.52	-123.92
COC1=CC=CC2=C1CCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007761836	0	42	-2.0	-137.06	373.29	6.36	-130.70
CC(C)C([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NC(C2CC2)=NO1	REAL300007761873	1	39	-2.0	-118.85	357.01	3.59	-115.26
CC(C)C([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761876	1	42	-2.0	-128.04	363.91	4.66	-123.38
CC(C)C([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=NC(C2CC2)=NO1	REAL300007761878	1	42	-2.0	-100.53	377.44	2.10	-98.43
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=NC(C2CC2)=NO1	REAL300007761879	1	39	-2.0	-96.66	368.08	3.02	-93.64
CC(C)C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761880	0	39	-2.0	-120.59	341.49	0.89	-119.70
CC(C)C([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761882	1	42	-2.0	-128.04	363.91	4.66	-123.38
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761883	1	42	-2.0	-120.34	375.28	5.51	-114.83
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C2CC2)=NO1	REAL300007761884	0	39	-2.0	-98.98	352.18	2.09	-96.89
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C2CC2)=NO1	REAL300007761888	0	39	-2.0	-98.98	352.18	2.09	-96.89
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NC(C2CC2)=NO1	REAL300007761890	1	39	-2.0	-103.97	366.15	2.98	-100.99
CC(C)C([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761893	1	39	-2.0	-99.79	357.05	2.85	-96.94
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC(C2CC2)=NO1	REAL300007761896	0	39	-2.0	-98.15	351.78	1.87	-96.28
CC(C)C([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761899	1	41	-2.0	-97.22	370.17	2.11	-95.11
CC(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761900	0	38	-2.0	-116.56	347.37	2.10	-114.46
CC(C)C([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NC(C2CC2)=NO1	REAL300007761901	0	38	-2.0	-128.32	356.17	1.63	-126.69
CC(C)C([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761902	1	41	-2.0	-129.86	358.70	3.16	-126.70
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NC(C2CC2)=NO1	REAL300007761904	1	41	-2.0	-96.71	371.15	2.13	-94.58
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761905	1	42	-2.0	-98.91	391.73	4.42	-94.49
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761909	1	42	-2.0	-98.91	391.73	4.42	-94.49
CC(C)C([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=NC(C2CC2)=NO1	REAL300007761920	1	45	-2.0	-99.63	402.58	4.74	-94.89
CC(C)C([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C2CC2)=NO1	REAL300007761921	1	42	-2.0	-113.67	369.96	2.36	-111.31
CC(C)C([N-]S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761923	1	42	-2.0	-101.70	387.50	4.32	-97.38
CC(C)C([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC(C2CC2)=NO1	REAL300007761924	0	39	-2.0	-120.35	342.60	2.69	-117.66
CC(C)C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761926	0	39	-2.0	-120.59	341.49	0.89	-119.70
CC(C)C([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C2CC2)=NO1	REAL300007761927	1	42	-2.0	-113.67	369.96	2.36	-111.31
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NC(C2CC2)=NO1	REAL300007761928	1	41	-2.0	-104.18	371.93	2.03	-102.15
CC(C)C([N-]S(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761929	1	45	-2.0	-123.15	389.73	5.06	-118.09
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NC(C2CC2)=NO1	REAL300007761930	0	39	-2.0	-94.12	365.06	2.48	-91.64
CC(C)C([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761932	1	41	-2.0	-107.64	368.93	2.19	-105.45
CC(C)C([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761933	1	39	-2.0	-94.35	349.03	0.07	-94.28
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=NC(C2CC2)=NO1	REAL300007761934	1	42	-2.0	-100.78	377.32	1.64	-99.14
CC(C)C([N-]S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761936	1	45	-2.0	-120.17	382.03	5.07	-115.10
CC(C)C([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C2CC2)=NO1	REAL300007761939	1	39	-2.0	-94.35	349.03	0.07	-94.28
CC(C)C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761940	0	39	-2.0	-120.59	341.49	0.89	-119.70
CC(C)C([N-]S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761943	1	45	-2.0	-120.17	382.03	5.07	-115.10
CC(C)C([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NC(C2CC2)=NO1	REAL300007761944	1	41	-2.0	-116.80	353.20	2.77	-114.03
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC2CC2=CC=CC=C2)=C1	REAL300007762074	1	44	-2.0	-99.56	386.85	7.40	-92.16
CCCC1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007762177	0	46	-2.0	-137.70	381.66	7.67	-130.03
CCCC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007762181	1	40	-2.0	-95.83	345.85	5.47	-90.36
CCS(=O)(=O)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007762296	0	36	-2.0	-147.04	346.71	1.45	-145.59
CCS(=O)(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007762300	1	30	-2.0	-102.25	317.26	-1.24	-103.49
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007762439	0	37	-2.0	-135.33	335.55	6.65	-128.68
CC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007762551	0	37	-2.0	-137.47	352.58	7.83	-129.64
CC1=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)SC=N1	REAL300007762678	0	36	-2.0	-136.60	337.52	5.32	-131.28
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS1	REAL300007762949	0	35	-2.0	-136.43	321.63	6.48	-129.95
CC(C)(CC1=CC=CC=C1Cl)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007763046	1	37	-2.0	-97.55	343.62	5.58	-91.97
CC1=CC=CC=C1CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007763144	0	46	-2.0	-138.79	370.19	7.68	-131.11
CC1=CC=CC=C1CC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007763148	1	40	-2.0	-95.77	347.21	5.67	-90.10
COC1=CC=CC=C1CC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007763298	1	41	-2.0	-99.72	361.36	4.93	-94.79
CC1=C2C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)=CNC2=CC=C1	REAL300007763387	1	38	-2.0	-101.28	357.94	4.55	-96.73
CC(CC1=CC=CS1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007763565	0	37	-2.0	-137.41	352.09	6.58	-130.83
CC(CC1=CC=CS1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007763569	1	31	-2.0	-93.81	319.41	4.14	-89.67
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCOC2)C=C1C(=O)[O-]	REAL300007763726	0	35	-2.0	-138.19	313.50	3.17	-135.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC2)=C1	REAL300007763728	1	29	-2.0	-94.34	281.13	0.71	-93.63
COC1=CC=CC2=C1OCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300007763884	1	37	-2.0	-100.10	348.10	3.35	-96.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=C(F)C=C2)C2CCC2)=C1	REAL300007764092	1	38	-2.0	-93.67	366.43	6.30	-87.37
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300007764191	0	44	-2.0	-136.84	377.71	8.82	-128.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CCC2)=C1	REAL300007764195	1	38	-2.0	-96.14	356.73	6.52	-89.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007764381	0	41	-2.0	-136.19	354.10	8.68	-127.51
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007764581	0	43	-2.0	-136.27	377.71	7.83	-128.44
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(F)C=C1	REAL300007764585	1	37	-2.0	-93.95	350.90	5.20	-88.75
CN(C1CCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007764743	0	35	-2.0	-135.69	312.07	4.28	-131.41
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(CO)=C2)C=C1C(=O)[O-]	REAL300007764846	0	38	-2.0	-137.71	354.34	3.36	-134.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(CO)=C2)=C1	REAL300007764850	1	32	-2.0	-98.70	324.88	0.65	-98.05
CC(C)(C)CCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007765026	0	45	-2.0	-134.35	381.34	7.04	-127.31
CC(C)(C)CCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007765030	1	39	-2.0	-93.92	351.89	4.36	-89.56
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=C(Cl)C=C3)CCC2)=C1	REAL300007765278	1	35	-2.0	-95.49	345.34	5.93	-89.56
COC1=CC=C(CC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007765459	1	41	-2.0	-95.77	380.46	4.72	-91.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CO3)C2)C=C1C(=O)[O-]	REAL300007765606	0	39	-2.0	-136.84	353.47	5.68	-131.16
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007766271	1	37	-2.0	-124.78	361.85	1.34	-123.44
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007766272	1	37	-2.0	-102.84	370.50	2.67	-100.17
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007766275	1	37	-2.0	-102.84	370.50	2.67	-100.17
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007766277	1	37	-2.0	-101.64	370.75	2.41	-99.23
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007766280	1	37	-2.0	-124.14	362.95	3.15	-120.99
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007766282	1	37	-2.0	-124.78	361.85	1.34	-123.44
CC1=C(C2=CC=C(Cl)C=C2)OC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007766289	1	37	-2.0	-124.78	361.85	1.34	-123.44
CC(C)CSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007766377	0	43	-2.0	-135.23	389.62	7.29	-127.94
CC(C)CSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007766381	1	37	-2.0	-93.89	360.16	4.61	-89.28
CC1=CC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1Br	REAL300007766466	1	30	-2.0	-121.45	305.09	3.92	-117.53
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300007766573	1	35	-2.0	-110.22	339.50	5.26	-104.96
CCSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007766701	0	37	-2.0	-135.35	349.31	5.92	-129.43
CCSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007766705	1	31	-2.0	-94.02	319.86	3.24	-90.78
CCC(CC)N(CC(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007766853	0	48	-2.0	-137.56	376.87	9.23	-128.33
CCCN(CCC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007766956	0	43	-2.0	-138.37	393.91	9.37	-129.00
CC(C)(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1F	REAL300007767017	1	39	-2.0	-111.82	346.08	5.63	-106.19
CCCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1F	REAL300007767089	1	36	-2.0	-112.78	342.03	5.51	-107.27
CCN(C1=CC=C2NC=CC2=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007767211	0	41	-2.0	-138.38	360.12	7.98	-130.40
CC(C)CCC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007767322	0	46	-2.0	-141.34	380.60	8.40	-132.94
CCCC(C)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007767442	0	46	-2.0	-137.69	377.62	8.87	-128.82
CC1(C)CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC=CC=C21	REAL300007767816	1	44	-2.0	-99.57	382.99	6.51	-93.06
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NN=C(C3=CC=CC=C3)S2)=C1	REAL300007767973	1	33	-2.0	-98.59	351.85	3.18	-95.41
CC(C)C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007768153	1	40	-2.0	-94.53	374.05	6.48	-88.05
COC1=CC=CC=C1C(CC(C)C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007768204	1	43	-2.0	-131.35	363.07	5.38	-125.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(C2)CCOCC3)C=C1C(=O)[O-]	REAL300007768370	0	42	-2.0	-134.78	353.98	5.42	-129.36
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C1=CC=CC=C1	REAL300007768497	0	41	-2.0	-138.81	356.21	8.81	-130.00
CCSC1CCC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007768687	0	44	-2.0	-137.34	386.44	8.66	-128.68
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC(F)=C3)CCC2)C=C1C(=O)[O-]	REAL300007768834	0	41	-2.0	-138.12	357.13	7.33	-130.79
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC(F)=C3)CCC2)=C1	REAL300007768838	1	35	-2.0	-101.19	333.63	5.52	-95.67
COC1=CC=CC=C1C1([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])CC1	REAL300007768895	1	35	-2.0	-124.71	326.24	3.65	-121.06
COC1=CC=CC=C1C1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007768935	0	42	-2.0	-136.43	371.90	6.79	-129.64
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300007769048	0	47	-2.0	-140.88	378.97	8.16	-132.72
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CCC2)C2CCCC2)=C1	REAL300007769052	1	41	-2.0	-96.06	353.16	6.23	-89.83
CC1=CC=CC(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCC2)=C1	REAL300007769162	0	44	-2.0	-136.20	372.14	7.93	-128.27
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3F)CCC2)C=C1C(=O)[O-]	REAL300007769273	0	41	-2.0	-133.41	346.06	7.29	-126.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3F)CCC2)=C1	REAL300007769277	1	35	-2.0	-96.96	330.12	5.40	-91.56
COCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007769592	0	38	-2.0	-135.31	333.82	5.69	-129.62
CCCCCN(C(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007769701	0	45	-2.0	-139.61	375.48	8.36	-131.25
CC(C)OCC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007769850	1	40	-2.0	-123.45	358.69	4.34	-119.11
CC(C)N(CC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007770159	0	40	-2.0	-139.87	349.63	7.49	-132.38
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=COC=C2)C=C1C(=O)[O-]	REAL300007770230	0	31	-2.0	-135.08	302.26	4.02	-131.06
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=COC=C2)=C1	REAL300007770232	1	25	-2.0	-95.59	272.81	1.31	-94.28
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2CCCC2)C=C1C(=O)[O-]	REAL300007770334	0	43	-2.0	-134.31	368.82	7.19	-127.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2CCCC2)=C1	REAL300007770338	1	37	-2.0	-94.25	339.36	4.50	-89.75
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2CCCCC2)C=C1C(=O)[O-]	REAL300007770451	0	46	-2.0	-134.48	385.29	7.77	-126.71
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2CCCCC2)=C1	REAL300007770455	1	40	-2.0	-94.38	355.84	5.08	-89.30
CCC(CC)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1	REAL300007770541	1	42	-2.0	-118.61	350.41	6.48	-112.13
CC(C)(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007770672	0	46	-2.0	-138.28	388.93	8.43	-129.85
CC(C)(C)CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1	REAL300007770741	1	42	-2.0	-125.21	352.55	5.69	-119.52
CC(C)(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007770825	1	39	-2.0	-115.41	331.59	5.51	-109.90
CC(C)(C)CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007770901	1	42	-2.0	-118.74	358.95	5.75	-112.99
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCOCC2)C=C1C(=O)[O-]	REAL300007771012	0	38	-2.0	-134.81	335.40	3.99	-130.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCOCC2)=C1	REAL300007771016	1	32	-2.0	-94.09	306.34	1.29	-92.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007771124	0	41	-2.0	-134.86	362.61	8.59	-126.27
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007771239	0	44	-2.0	-135.33	386.63	9.46	-125.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CSC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300007771351	0	37	-2.0	-135.05	358.42	7.41	-127.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CSC3=CC=CC=C23)=C1	REAL300007771355	1	31	-2.0	-97.83	328.97	4.71	-93.12
CC(C)(C)SCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007771579	0	40	-2.0	-135.51	362.68	6.24	-129.27
CC(C)(C)SCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007771583	1	34	-2.0	-94.51	333.23	3.56	-90.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300007771683	1	35	-2.0	-97.51	350.43	4.54	-92.97
COC1=CC=C(OC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007771774	1	39	-2.0	-98.15	369.38	2.83	-95.32
CC1=CC=C(OC(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007771871	0	44	-2.0	-134.28	391.19	6.96	-127.32
CC1=CC=C(OC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007771875	1	38	-2.0	-99.50	361.19	4.25	-95.25
CCC(C)(C)C1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007772191	0	52	-2.0	-136.29	398.66	8.21	-128.08
CCC(C)(C)C1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007772195	1	46	-2.0	-96.31	369.31	5.88	-90.43
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCS(=O)(=O)C2)C=C1C(=O)[O-]	REAL300007772306	0	34	-2.0	-140.32	323.94	0.95	-139.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCS(=O)(=O)C2)=C1	REAL300007772310	1	28	-2.0	-96.15	293.55	-1.50	-97.65
CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007772420	0	37	-2.0	-149.55	340.63	2.61	-146.94
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC2CCC1C2	REAL300007772536	0	44	-2.0	-141.47	364.32	7.26	-134.21
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CC2CCC1C2	REAL300007772538	1	38	-2.0	-93.94	328.14	5.39	-88.55
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C12CC3CC(CC(C3)C1)C2	REAL300007772630	1	45	-2.0	-98.28	363.01	6.09	-92.19
CC1(C)C2CCC1(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007772726	0	47	-2.0	-139.41	376.92	7.40	-132.01
CC1(C)C2CCC1(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300007772730	1	41	-2.0	-96.35	344.08	5.42	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)C=C1C(=O)[O-]	REAL300007772846	0	48	-2.0	-134.81	380.84	8.14	-126.67
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)=C1	REAL300007772850	1	42	-2.0	-98.62	354.05	5.52	-93.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C3OCCOC3=C2)=C1	REAL300007773019	1	37	-2.0	-98.15	358.07	3.29	-94.86
CC1=CC=C(OCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007773122	0	41	-2.0	-136.53	372.58	6.36	-130.17
CC1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007773126	1	35	-2.0	-98.34	343.37	3.65	-94.69
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300007773232	0	38	-2.0	-146.38	357.39	5.75	-140.63
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=CC=C2F)=C1	REAL300007773236	1	32	-2.0	-102.34	328.19	3.04	-99.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC=C(C3=CC=CC=C3)O2)=C1	REAL300007773332	1	34	-2.0	-99.97	347.26	1.84	-98.13
COC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007773477	0	38	-2.0	-134.27	333.07	5.01	-129.26
COCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007773590	0	41	-2.0	-136.20	354.78	5.71	-130.49
COC1=CC=C2OC(C(C)[N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])=C(C)C2=C1	REAL300007773646	1	40	-2.0	-126.97	363.94	4.13	-122.84
CC(C)CC(CC(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007773758	0	48	-2.0	-136.96	395.12	7.63	-129.33
CC(C)CC(CC(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007773762	1	42	-2.0	-94.91	364.50	5.54	-89.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NNC=C2Br)=C1	REAL300007774065	1	25	-2.0	-99.03	292.83	0.32	-98.71
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300007774084	1	34	-2.0	-117.82	342.46	4.45	-113.37
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=C(Cl)C=C2)O1	REAL300007774085	1	34	-2.0	-93.35	343.26	5.36	-87.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=C(Cl)C=C2)O1	REAL300007774087	1	34	-2.0	-93.35	343.26	5.36	-87.99
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=C(Cl)C=C2)=C1	REAL300007774089	1	34	-2.0	-96.71	351.39	5.51	-91.20
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=C(Cl)C=C2)OC=C1	REAL300007774092	1	34	-2.0	-118.03	343.56	6.25	-111.78
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300007774094	1	34	-2.0	-117.82	342.46	4.45	-113.37
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300007774100	1	34	-2.0	-117.82	342.46	4.45	-113.37
CCC(C)C(C)N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007774207	0	46	-2.0	-136.57	361.65	8.62	-127.95
CCOC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300007774317	0	44	-2.0	-135.17	392.95	7.00	-128.17
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007774382	1	36	-2.0	-101.63	343.00	2.50	-99.13
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007774386	1	35	-2.0	-129.01	336.31	2.67	-126.34
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007774387	1	35	-2.0	-125.68	338.46	2.14	-123.54
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007774409	1	41	-2.0	-114.31	376.54	6.06	-108.25
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007774419	1	36	-2.0	-123.54	335.21	3.25	-120.29
CC(C)(C)C1=CSC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007774424	0	42	-2.0	-137.14	387.07	5.74	-131.40
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007774428	1	36	-2.0	-97.49	357.66	3.05	-94.44
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007774445	1	36	-2.0	-121.82	358.86	4.82	-117.00
CC(C)(C)C1=CSC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007774516	1	39	-2.0	-97.58	379.15	3.83	-93.75
CC1CCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007774615	0	37	-2.0	-135.21	321.84	5.94	-129.27
CC1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007774617	1	31	-2.0	-95.99	294.99	3.07	-92.92
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C)=CS1	REAL300007774672	1	32	-2.0	-118.86	318.48	2.23	-116.63
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC(C)=CS1	REAL300007774716	0	39	-2.0	-135.59	368.83	5.20	-130.39
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NC(C)=CS1	REAL300007774720	1	33	-2.0	-95.32	334.70	2.52	-92.80
CS(=O)(=O)NCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007774834	0	35	-2.0	-142.07	340.16	-0.82	-142.89
CS(=O)(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007774838	1	29	-2.0	-97.98	310.70	-3.49	-101.47
C=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007774976	0	35	-2.0	-136.25	313.38	6.49	-129.76
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C(F)C=C2F)=C1	REAL300007775066	1	32	-2.0	-97.75	334.60	3.11	-94.64
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(C3=CC=CO3)=NN2)C=C1C(=O)[O-]	REAL300007775240	0	37	-2.0	-138.18	358.88	3.99	-134.19
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(C3=CC=CO3)=NN2)=C1	REAL300007775244	1	31	-2.0	-98.56	329.47	1.34	-97.22
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC2CCOC2)C=C1C(=O)[O-]	REAL300007775358	0	42	-2.0	-140.97	372.94	3.28	-137.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2CCOC2)=C1	REAL300007775362	1	36	-2.0	-96.59	343.72	0.57	-96.02
CN(CC1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007775479	0	41	-2.0	-135.46	350.50	5.56	-129.90
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC=CS1	REAL300007775979	1	26	-2.0	-123.58	271.68	0.85	-122.73
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC=CS1	REAL300007776026	0	33	-2.0	-133.09	323.00	3.77	-129.32
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NC=CS1	REAL300007776030	1	27	-2.0	-97.27	293.03	1.31	-95.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007776135	0	35	-2.0	-135.71	324.86	7.25	-128.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC(C3=CC=CO3)=NN2)=C1	REAL300007776231	1	34	-2.0	-99.66	350.92	2.06	-97.60
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C(C)(C)C)=CS1	REAL300007776336	1	38	-2.0	-124.01	352.08	3.31	-120.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C(F)C(F)=C2)=C1	REAL300007776455	1	32	-2.0	-93.06	334.67	3.09	-89.97
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007776562	0	38	-2.0	-146.04	350.77	7.17	-138.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC=C(F)C=C32)=C1	REAL300007776566	1	32	-2.0	-99.18	315.81	4.72	-94.46
CC1=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007776678	0	43	-2.0	-135.47	378.35	7.98	-127.49
CC1=NC(C)=C(C(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007776787	0	42	-2.0	-135.81	378.64	6.61	-129.20
O=C([O-])C1=CC=C(S(=O)(=O)N(CC(F)F)C2CC2)C=C1C(=O)[O-]	REAL300007776912	0	34	-2.0	-141.60	306.93	6.12	-135.48
CC(C)C1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS1	REAL300007777113	0	41	-2.0	-132.36	358.44	7.63	-124.73
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777149	1	36	-2.0	-120.90	349.81	4.01	-116.89
CC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777154	1	39	-2.0	-97.39	370.50	2.36	-95.03
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777155	1	36	-2.0	-94.17	358.20	3.36	-90.81
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777156	1	36	-2.0	-120.40	342.05	1.29	-119.11
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777160	1	36	-2.0	-99.66	350.70	2.60	-97.06
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777165	1	36	-2.0	-99.66	350.70	2.60	-97.06
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777167	1	36	-2.0	-98.51	359.13	3.25	-95.26
CC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777168	1	36	-2.0	-99.74	357.59	3.27	-96.47
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777169	1	36	-2.0	-98.37	350.95	2.35	-96.02
CC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777171	1	38	-2.0	-94.83	361.11	2.43	-92.40
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777172	0	35	-2.0	-117.56	344.26	2.43	-115.13
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777173	0	35	-2.0	-120.09	346.40	1.98	-118.11
CC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777174	1	38	-2.0	-124.53	353.17	3.34	-121.19
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777176	1	38	-2.0	-93.94	361.80	2.45	-91.49
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777179	1	39	-2.0	-111.56	360.23	2.64	-108.92
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777181	0	36	-2.0	-120.02	343.16	3.10	-116.92
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777183	1	36	-2.0	-120.40	342.05	1.29	-119.11
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777184	1	39	-2.0	-111.56	360.23	2.64	-108.92
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777185	1	38	-2.0	-101.36	362.16	2.36	-99.00
CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777187	1	36	-2.0	-94.36	349.59	0.48	-93.88
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777188	1	39	-2.0	-99.59	367.45	1.99	-97.60
CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777193	1	36	-2.0	-94.36	349.59	0.48	-93.88
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777195	1	36	-2.0	-120.40	342.05	1.29	-119.11
CC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300007777197	1	38	-2.0	-114.69	351.90	3.29	-111.40
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007777199	1	40	-2.0	-127.08	362.93	0.82	-126.26
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007777200	1	40	-2.0	-105.95	371.59	2.12	-103.83
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007777203	1	40	-2.0	-105.95	371.59	2.12	-103.83
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007777205	1	40	-2.0	-104.74	371.83	1.87	-102.87
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007777209	0	40	-2.0	-126.64	364.04	2.62	-124.02
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007777211	1	40	-2.0	-127.08	362.93	0.82	-126.26
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007777212	1	40	-2.0	-100.61	370.47	0.00	-100.61
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007777216	1	40	-2.0	-100.61	370.47	0.00	-100.61
COC1=CC=CC=C1C1=NOC(C(C)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007777218	1	40	-2.0	-127.08	362.93	0.82	-126.26
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])=N2)=C1	REAL300007777221	1	40	-2.0	-122.90	365.13	0.51	-122.39
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300007777222	1	40	-2.0	-102.62	373.77	1.83	-100.79
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300007777225	1	40	-2.0	-102.62	373.77	1.83	-100.79
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CO3)=N2)=C1	REAL300007777227	1	40	-2.0	-101.50	374.02	1.57	-99.93
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=C(C(=O)[O-])C=CO3)=N2)=C1	REAL300007777231	0	40	-2.0	-122.55	366.23	2.33	-120.22
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])=N2)=C1	REAL300007777233	1	40	-2.0	-122.90	365.13	0.51	-122.39
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300007777234	1	40	-2.0	-97.39	372.66	-0.28	-97.67
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)=N2)=C1	REAL300007777238	1	40	-2.0	-97.39	372.66	-0.28	-97.67
COC1=CC=CC(C2=NOC(C(C)[N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])=N2)=C1	REAL300007777240	1	40	-2.0	-122.90	365.13	0.51	-122.39
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777247	1	38	-2.0	-120.07	345.79	2.50	-117.57
CC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777252	1	41	-2.0	-97.02	366.51	0.87	-96.15
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=NC(C(C)(C)C)=NO1	REAL300007777253	1	38	-2.0	-94.07	354.19	1.85	-92.22
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777254	1	38	-2.0	-118.25	338.03	-0.27	-118.52
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777258	1	41	-2.0	-118.42	369.05	4.14	-114.28
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C(C)(C)C)=NO1	REAL300007777259	1	38	-2.0	-98.92	346.68	1.09	-97.83
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NC(C(C)(C)C)=NO1	REAL300007777266	1	38	-2.0	-98.92	346.68	1.09	-97.83
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NC(C(C)(C)C)=NO1	REAL300007777269	1	38	-2.0	-98.40	355.11	1.75	-96.65
CC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777273	1	38	-2.0	-100.39	353.58	1.76	-98.63
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC(C(C)(C)C)=NO1	REAL300007777276	0	38	-2.0	-97.75	346.93	0.85	-96.90
CC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777279	1	40	-2.0	-95.37	357.10	0.93	-94.44
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777280	0	37	-2.0	-120.32	340.24	0.97	-119.35
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NC(C(C)(C)C)=NO1	REAL300007777281	0	37	-2.0	-118.20	342.39	0.42	-117.78
CC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777282	1	40	-2.0	-127.15	349.18	1.88	-125.27
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777284	1	40	-2.0	-93.20	357.81	0.94	-92.26
CC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777285	1	41	-2.0	-97.13	378.66	3.23	-93.90
CC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777290	1	41	-2.0	-97.13	378.66	3.23	-93.90
CC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777302	1	43	-2.0	-112.71	380.52	4.29	-108.42
CC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777303	1	43	-2.0	-110.83	380.50	4.30	-106.53
CC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777308	1	44	-2.0	-94.21	389.55	3.55	-90.66
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C(C)(C)C)=NO1	REAL300007777310	1	41	-2.0	-113.55	356.21	1.18	-112.37
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC(C(C)(C)C)=NO1	REAL300007777313	0	38	-2.0	-117.79	339.14	1.53	-116.26
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777316	1	38	-2.0	-118.25	338.03	-0.27	-118.52
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=NC(C(C)(C)C)=NO1	REAL300007777317	1	41	-2.0	-113.55	356.21	1.18	-112.37
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777318	0	44	-2.0	-133.46	391.81	3.77	-129.69
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NC(C(C)(C)C)=NO1	REAL300007777320	1	40	-2.0	-101.30	358.15	0.85	-100.45
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NC(C(C)(C)C)=NO1	REAL300007777322	0	38	-2.0	-93.59	361.58	1.39	-92.20
CC([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777325	1	40	-2.0	-101.84	358.00	0.96	-100.88
CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777326	1	38	-2.0	-93.91	345.57	-1.04	-94.95
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=NC(C(C)(C)C)=NO1	REAL300007777327	1	41	-2.0	-100.08	363.44	0.47	-99.61
CC([N-]S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=NC(C(C)(C)C)=NO1	REAL300007777332	1	44	-2.0	-122.33	388.29	1.37	-120.96
CC([N-]S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=NC(C(C)(C)C)=NO1	REAL300007777333	1	44	-2.0	-95.32	390.01	3.93	-91.39
CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777336	1	38	-2.0	-93.91	345.57	-1.04	-94.95
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777338	1	38	-2.0	-118.25	338.03	-0.27	-118.52
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=NC(C(C)(C)C)=NO1	REAL300007777339	0	38	-2.0	-113.04	362.80	3.14	-109.90
CC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300007777345	1	40	-2.0	-117.09	347.89	1.83	-115.26
CCSCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007777432	0	43	-2.0	-134.82	383.77	8.49	-126.33
COC1(C)CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(C)C	REAL300007777539	0	47	-2.0	-136.10	374.60	6.32	-129.78
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007777638	0	41	-2.0	-138.50	380.45	5.96	-132.54
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(F)C=C1	REAL300007777642	1	35	-2.0	-95.15	351.56	3.33	-91.82
COC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(C)C	REAL300007777859	0	44	-2.0	-135.45	370.34	4.94	-130.51
COC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1(C)C	REAL300007777863	1	38	-2.0	-96.40	342.87	2.42	-93.98
CCOC(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C	REAL300007777979	0	46	-2.0	-137.23	393.30	5.83	-131.40
CCOC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)C	REAL300007777983	1	40	-2.0	-96.64	364.28	3.21	-93.43
CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007778058	1	45	-2.0	-98.58	388.56	5.28	-93.30
CSCC1=CC(F)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007778105	1	34	-2.0	-113.99	334.53	4.71	-109.28
CCOC(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCC1	REAL300007778317	0	50	-2.0	-135.35	415.94	7.06	-128.29
CCOC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCC1	REAL300007778321	1	44	-2.0	-96.53	386.43	4.48	-92.05
CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007778501	0	46	-2.0	-140.22	391.04	8.57	-131.65
CCCCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007778673	0	46	-2.0	-133.46	402.99	10.49	-122.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCSC3COCCC32)C=C1C(=O)[O-]	REAL300007778781	0	40	-2.0	-137.97	340.84	5.71	-132.26
CC(CCC1CC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007778983	0	40	-2.0	-139.84	354.56	6.85	-132.99
CC(CCC1CC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007778986	1	34	-2.0	-94.74	322.14	4.37	-90.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(CC3=CC=CC=C3)C2)=C1	REAL300007779077	1	41	-2.0	-96.38	371.87	6.65	-89.73
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007779192	0	46	-2.0	-134.04	378.26	7.28	-126.76
CC1(C)CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007779196	1	40	-2.0	-95.74	349.23	4.60	-91.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=C(F)C=C3F)CC2)=C1	REAL300007779291	1	35	-2.0	-92.65	355.16	5.63	-87.02
CCSC1CCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007779436	0	41	-2.0	-139.57	369.96	6.99	-132.58
CCSC1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007779440	1	35	-2.0	-97.89	337.06	4.52	-93.37
CCSC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007779553	0	44	-2.0	-135.40	378.60	7.65	-127.75
CCSC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007779557	1	38	-2.0	-93.30	349.27	5.32	-87.98
CC1CC(C)(C)CCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007779666	0	46	-2.0	-135.30	376.04	7.14	-128.16
CC1CC(C)(C)CCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007779670	1	40	-2.0	-95.77	339.91	4.98	-90.79
CS(=O)(=O)CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007779828	0	40	-2.0	-149.59	371.58	2.84	-146.75
CS(=O)(=O)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007779832	1	34	-2.0	-105.65	344.16	0.24	-105.41
CCCOC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCCC1	REAL300007779997	0	50	-2.0	-133.68	409.31	7.08	-126.60
CCCOC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCC1	REAL300007780001	1	44	-2.0	-99.03	381.60	4.41	-94.62
CC1=CC=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007780062	1	35	-2.0	-111.85	332.66	5.13	-106.72
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CCC2)CC(F)(F)F)C=C1C(=O)[O-]	REAL300007780185	0	40	-2.0	-138.49	354.01	8.04	-130.45
CCOC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(CC)CC	REAL300007780281	0	50	-2.0	-139.14	411.95	6.70	-132.44
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1(CC)CC	REAL300007780285	1	44	-2.0	-97.54	385.49	4.47	-93.07
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)S(C)(=O)=O	REAL300007780394	0	39	-2.0	-152.85	351.88	2.20	-150.65
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)S(C)(=O)=O	REAL300007780398	1	33	-2.0	-109.25	326.09	-0.59	-109.84
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC(C)=C1	REAL300007780569	1	41	-2.0	-99.61	376.47	4.82	-94.79
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC=C1C	REAL300007780657	1	41	-2.0	-98.37	375.23	4.88	-93.49
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780736	1	36	-2.0	-124.62	352.51	1.49	-123.13
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780737	1	36	-2.0	-103.31	361.16	2.87	-100.44
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780739	1	36	-2.0	-103.31	361.16	2.87	-100.44
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780741	1	36	-2.0	-102.18	361.41	2.61	-99.57
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780744	1	36	-2.0	-124.18	353.62	3.29	-120.89
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780746	1	36	-2.0	-124.62	352.51	1.49	-123.13
CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300007780752	1	36	-2.0	-124.62	352.51	1.49	-123.13
CC(C)CC(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007780923	0	45	-2.0	-134.24	369.13	6.88	-127.36
CC(C)CC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007780927	1	39	-2.0	-94.64	339.16	4.22	-90.42
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C(F)C(F)=CC(F)=C2F)=C1	REAL300007781024	1	28	-2.0	-94.34	315.27	3.50	-90.84
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCO1	REAL300007781199	0	41	-2.0	-133.95	353.14	4.78	-129.17
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCO1	REAL300007781203	1	35	-2.0	-92.76	323.77	2.45	-90.31
CC(C)(C)C1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007781306	0	52	-2.0	-139.70	401.09	7.96	-131.74
CC(C)(C)C1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007781310	1	46	-2.0	-97.39	371.46	5.51	-91.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(CCOCC3)C2)C=C1C(=O)[O-]	REAL300007781417	0	43	-2.0	-136.48	359.58	4.53	-131.95
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2(CCOC2)O1	REAL300007781532	0	43	-2.0	-135.43	361.14	4.05	-131.38
CSC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007781650	0	38	-2.0	-131.98	347.84	6.10	-125.88
CSC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007781654	1	32	-2.0	-96.33	321.50	3.51	-92.82
CCOCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007781764	0	47	-2.0	-134.92	400.77	6.24	-128.68
CCOCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007781768	1	41	-2.0	-98.26	372.32	3.62	-94.64
COCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007781882	0	44	-2.0	-134.41	377.39	5.18	-129.23
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007781886	1	38	-2.0	-97.87	348.64	2.57	-95.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2CCC2)C2=CC=CC=C2)=C1	REAL300007782075	1	41	-2.0	-96.84	374.20	7.21	-89.63
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCOCC3)CC2)C=C1C(=O)[O-]	REAL300007782173	0	48	-2.0	-139.40	380.54	5.62	-133.78
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)=C1	REAL300007782177	1	42	-2.0	-96.26	350.13	3.21	-93.05
CS(=O)(=O)CC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007782234	1	36	-2.0	-121.23	343.63	1.11	-120.12
CC(N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1(C)CC1	REAL300007782339	0	40	-2.0	-133.98	339.64	7.45	-126.53
CN(CC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007782449	0	34	-2.0	-136.36	323.09	6.74	-129.62
O=C([O-])C1=CC=C(S(=O)(=O)NCCCSC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007782558	0	41	-2.0	-137.02	383.32	8.04	-128.98
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCSC2=CC=CC=C2)=C1	REAL300007782562	1	35	-2.0	-94.84	353.86	5.36	-89.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCSC2=CC=C(F)C=C2)=C1	REAL300007782795	1	35	-2.0	-92.49	360.26	5.43	-87.06
CC1CCC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007782970	0	43	-2.0	-137.30	359.58	7.91	-129.39
CCN(CC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007783087	0	37	-2.0	-137.02	349.67	7.90	-129.12
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC1	REAL300007783236	0	34	-2.0	-134.67	306.33	5.01	-129.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CS2)C2=CC=CC=C2)=C1	REAL300007783306	1	35	-2.0	-97.87	355.42	6.43	-91.44
CN(CC1=CSC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007783467	0	34	-2.0	-135.54	328.02	6.93	-128.61
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NN=C2C=CC=CN21	REAL300007783589	1	32	-2.0	-132.92	307.73	3.95	-128.97
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NN=C2C=CC=CN21	REAL300007783631	0	39	-2.0	-141.78	361.12	6.88	-134.90
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(CN3C=NC=N3)C=C2)=C1	REAL300007783807	1	37	-2.0	-101.79	370.60	6.42	-95.37
CS(=O)(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007783991	1	36	-2.0	-96.98	344.84	-0.47	-97.45
COC1=CC=C(OCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007784087	0	42	-2.0	-137.39	380.68	4.96	-132.43
COC1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007784091	1	36	-2.0	-97.73	351.46	2.26	-95.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCOC2=CC=C(F)C=C2)=C1	REAL300007784202	1	38	-2.0	-93.31	371.45	4.57	-88.74
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(CN3C=CC=N3)C=C2)=C1	REAL300007784277	1	38	-2.0	-100.53	375.84	4.99	-95.54
CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007784374	0	39	-2.0	-149.30	355.82	2.49	-146.81
CC(C1=CC=CS1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007784492	0	37	-2.0	-134.39	343.16	7.23	-127.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=CN=CC=N3)CC2)C=C1C(=O)[O-]	REAL300007784606	0	41	-2.0	-137.23	361.46	4.52	-132.71
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(Br)=C2)=C1	REAL300007784695	1	28	-2.0	-93.53	313.36	3.95	-89.58
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300007784793	0	44	-2.0	-135.18	377.95	9.48	-125.70
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007784956	0	38	-2.0	-137.98	345.03	7.23	-130.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3=CC=CC=C3C2)=C1	REAL300007784960	1	32	-2.0	-97.21	313.36	4.64	-92.57
CN(CC1=CC=CC2=CC=CC=C21)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007785061	0	43	-2.0	-136.99	375.24	9.75	-127.24
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=CCC2)C=C1C(=O)[O-]	REAL300007785118	0	32	-2.0	-135.91	293.39	5.88	-130.03
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCSC3=C(F)C=CC=C32)=C1	REAL300007785219	1	33	-2.0	-92.05	335.27	5.09	-86.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOCC2)C=C1C(=O)[O-]	REAL300007785278	0	35	-2.0	-135.48	311.59	3.09	-132.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOCC2)=C1	REAL300007785280	1	29	-2.0	-94.24	281.20	0.68	-93.56
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2=CC=CC=C2)C2CC2)C=C1C(=O)[O-]	REAL300007785385	0	41	-2.0	-138.83	371.77	8.25	-130.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CC2)=C1	REAL300007785389	1	35	-2.0	-96.43	341.09	6.01	-90.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3)CCC2)C=C1C(=O)[O-]	REAL300007785505	0	41	-2.0	-136.87	349.05	7.57	-129.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3)CCC2)=C1	REAL300007785509	1	35	-2.0	-99.36	325.87	5.45	-93.91
CC(C)N(C1CCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007785634	0	43	-2.0	-136.10	346.36	8.02	-128.08
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C2=CC=CC=C2)=CS1	REAL300007785731	1	36	-2.0	-126.60	349.79	4.54	-122.06
CC1=NOC(C)=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007785843	0	39	-2.0	-139.59	360.14	5.59	-134.00
CC1=NOC(C)=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007785847	1	33	-2.0	-93.04	330.70	2.90	-90.14
CC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300007786001	0	37	-2.0	-133.87	352.53	8.61	-125.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=C(C=CS3)C2)C=C1C(=O)[O-]	REAL300007786112	0	38	-2.0	-136.57	345.45	7.88	-128.69
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(F)C=CC=C3C2)C=C1C(=O)[O-]	REAL300007786230	0	38	-2.0	-134.65	344.43	8.16	-126.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=CC=C3C2)C=C1C(=O)[O-]	REAL300007786340	0	38	-2.0	-134.54	353.13	8.55	-125.99
COC1=CC(Cl)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007786406	1	31	-2.0	-122.78	315.89	2.80	-119.98
COC1=CC(Cl)=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007786442	0	38	-2.0	-135.17	366.68	5.90	-129.27
CC1=CC=C(CC(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007786572	0	46	-2.0	-136.84	398.96	8.64	-128.20
CC1=CC=C(CC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007786576	1	40	-2.0	-97.06	366.07	6.16	-90.90
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC(C3=CC=CC=C3)CC2)=C1	REAL300007786696	1	44	-2.0	-96.13	392.50	7.15	-88.98
C[C@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007786782	0	40	-2.0	-135.60	341.30	6.11	-129.49
C[C@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007786785	1	34	-2.0	-96.11	310.86	3.70	-92.41
CCC1=C2NC=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C2=CC=C1	REAL300007786861	1	41	-2.0	-101.65	388.39	5.59	-96.06
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007786961	0	40	-2.0	-139.35	364.35	8.14	-131.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC3=CC=CC=C32)=C1	REAL300007786965	1	34	-2.0	-100.88	334.92	5.45	-95.43
CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007787077	0	38	-2.0	-143.87	361.62	0.10	-143.77
CCNS(=O)(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007787081	1	32	-2.0	-97.83	332.16	-2.59	-100.42
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(O)CCCC3=CC=CC=C32)=C1	REAL300007787173	1	39	-2.0	-100.04	359.00	2.46	-97.58
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300007787272	0	40	-2.0	-138.13	370.93	7.67	-130.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2=CC=CC(F)=C2)=C1	REAL300007787276	1	34	-2.0	-94.48	341.48	4.99	-89.49
CN(CC1CCOCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007787392	0	41	-2.0	-141.52	347.03	5.51	-136.01
CC1=NC(C)=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007787548	0	39	-2.0	-138.23	368.94	5.28	-132.95
CC1=NC(C)=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007787552	1	33	-2.0	-95.34	339.49	2.58	-92.76
CCCOC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007787697	0	47	-2.0	-134.53	391.10	7.32	-127.21
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1F	REAL300007787854	0	40	-2.0	-134.66	370.72	7.43	-127.23
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(F)C=C1F	REAL300007787858	1	34	-2.0	-93.63	341.68	4.75	-88.88
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(C3=CC=CS3)=NN2)=C1	REAL300007788036	1	31	-2.0	-96.74	338.88	2.32	-94.42
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007788123	0	40	-2.0	-134.22	343.30	6.29	-127.93
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007788126	1	34	-2.0	-95.62	315.81	3.65	-91.97
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCS(=O)CC2=CC=CC=C2)=C1	REAL300007788211	1	36	-2.0	-104.40	367.78	2.84	-101.56
CC1=NNC(=O)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300007788412	0	39	-2.0	-139.00	356.78	2.62	-136.38
CC1=NNC(=O)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1C	REAL300007788416	1	33	-2.0	-106.64	327.33	-0.08	-106.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007788749	0	39	-2.0	-141.84	356.50	5.93	-135.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3=CC=C(F)C=C32)=C1	REAL300007788753	1	33	-2.0	-97.20	329.15	3.43	-93.77
CCC(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007788818	0	39	-2.0	-139.65	332.68	6.69	-132.96
CCCCN(CCOC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007788922	0	43	-2.0	-134.53	374.00	6.48	-128.05
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(=O)OC(C)(C)C	REAL300007789003	1	45	-2.0	-100.20	399.35	5.45	-94.75
CC1=C2NC=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C2=CC=C1	REAL300007789088	1	38	-2.0	-101.90	366.71	4.83	-97.07
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCSC2)C=C1C(=O)[O-]	REAL300007789236	0	32	-2.0	-138.11	303.59	4.67	-133.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCSC2)=C1	REAL300007789239	1	26	-2.0	-91.30	274.53	2.18	-89.12
CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007789331	0	46	-2.0	-140.29	391.07	8.56	-131.73
CC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=NN1C	REAL300007789394	1	30	-2.0	-119.23	290.71	1.11	-118.12
CC1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=NN1C	REAL300007789439	0	37	-2.0	-136.11	343.02	4.26	-131.85
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=C(F)C=C3)C2)C=C1C(=O)[O-]	REAL300007789618	0	41	-2.0	-138.67	369.52	8.63	-130.04
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]CC(F)F	REAL300007789671	1	28	-2.0	-97.89	284.44	3.39	-94.50
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]CC(F)F	REAL300007789681	1	28	-2.0	-95.30	278.07	2.42	-92.88
COC1=C(S(=O)(=O)[N-]CC(F)F)SC(C(=O)[O-])=C1	REAL300007789682	1	25	-2.0	-99.84	267.95	0.46	-99.38
O=C([O-])C1=CC=C(S(=O)(=O)NCC(F)F)C=C1C(=O)[O-]	REAL300007789696	0	27	-2.0	-136.97	274.22	3.34	-133.63
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)[N-]CC(F)F)=C1	REAL300007789702	1	27	-2.0	-98.33	271.21	3.66	-94.67
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)[N-]CC(F)F)=C2	REAL300007789703	1	24	-2.0	-89.09	275.18	2.59	-86.50
O=C([O-])C1=NC(S(=O)(=O)[N-]CC(F)F)=C2C=CC=CN21	REAL300007789704	1	27	-2.0	-125.01	273.36	0.60	-124.41
O=C([O-])C1=CN2C=NC(S(=O)(=O)[N-]CC(F)F)=C2C=C1	REAL300007789705	1	27	-2.0	-95.87	272.04	3.24	-92.63
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)F)C=C(Cl)S1	REAL300007789706	1	21	-2.0	-112.35	246.31	2.41	-109.94
O=C([O-])C1=CC=C(S(=O)(=O)N(CCC(F)(F)F)CC2CC2)C=C1C(=O)[O-]	REAL300007789787	0	40	-2.0	-137.84	373.36	8.48	-129.36
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)S1	REAL300007789958	1	35	-2.0	-128.76	337.80	3.09	-125.67
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])S1	REAL300007789965	1	35	-2.0	-122.21	330.04	0.36	-121.85
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])S1	REAL300007789969	1	38	-2.0	-119.19	361.03	4.80	-114.39
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)S1	REAL300007789970	1	35	-2.0	-104.71	338.69	1.67	-103.04
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)S1	REAL300007789977	1	35	-2.0	-104.71	338.69	1.67	-103.04
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300007789980	1	35	-2.0	-101.52	347.12	2.33	-99.19
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300007789984	1	35	-2.0	-106.46	345.58	2.34	-104.12
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)S1	REAL300007789987	1	35	-2.0	-101.13	338.94	1.42	-99.71
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)S1	REAL300007789990	1	37	-2.0	-97.63	349.12	1.50	-96.13
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007789991	0	34	-2.0	-128.81	332.25	1.56	-127.25
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)S1	REAL300007789992	1	34	-2.0	-130.56	335.51	1.01	-129.55
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])S1	REAL300007789993	1	37	-2.0	-127.00	341.14	2.49	-124.51
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)S1	REAL300007790022	1	35	-2.0	-121.27	331.15	2.16	-119.11
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])S1	REAL300007790025	1	35	-2.0	-122.21	330.04	0.36	-121.85
CC(C)(C)C1=NN=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007790027	0	41	-2.0	-138.08	383.05	4.65	-133.43
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)S1	REAL300007790029	1	37	-2.0	-107.75	350.16	1.42	-106.33
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007790031	0	35	-2.0	-97.13	353.59	1.96	-95.17
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)S1	REAL300007790035	1	35	-2.0	-99.25	337.42	-0.45	-99.70
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)S1	REAL300007790045	1	35	-2.0	-99.25	337.42	-0.45	-99.70
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])S1	REAL300007790047	1	35	-2.0	-122.21	330.04	0.36	-121.85
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)S1	REAL300007790048	1	35	-2.0	-121.34	354.81	3.73	-117.61
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])S1	REAL300007790054	1	37	-2.0	-125.68	339.89	2.43	-123.25
CCC1=NOC(CC)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007790097	1	35	-2.0	-116.30	330.97	3.24	-113.06
CCC1=NOC(CC)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007790141	0	42	-2.0	-131.95	381.77	6.33	-125.62
CCC1=NOC(CC)=C1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007790145	1	36	-2.0	-92.99	352.32	3.63	-89.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN(C3=CC=CC=C3)N=N2)=C1	REAL300007790244	1	34	-2.0	-103.54	344.98	3.16	-100.38
CCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007790306	0	37	-2.0	-134.95	327.16	6.49	-128.46
CC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CN(C2=CC=CC=C2)N=N1	REAL300007790342	1	39	-2.0	-120.49	354.35	4.32	-116.17
CC(C)CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007790519	0	43	-2.0	-134.34	367.27	7.07	-127.27
CC(C)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007790523	1	37	-2.0	-96.19	338.76	4.38	-91.81
CN(CCOCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007790629	0	44	-2.0	-139.10	391.24	8.05	-131.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(CC3=CC=CC=C3)CCC2)=C1	REAL300007790833	1	41	-2.0	-100.89	376.05	6.45	-94.44
CCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007790942	0	43	-2.0	-134.50	365.22	6.89	-127.61
CCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007790946	1	37	-2.0	-96.69	336.47	4.28	-92.41
O=C([O-])C1=CC=C(S(=O)(=O)N[C@H]2CCOC3=C(F)C=CC=C32)C=C1C(=O)[O-]	REAL300007791051	0	39	-2.0	-134.39	356.50	5.96	-128.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CCOC3=C(F)C=CC=C32)=C1	REAL300007791055	1	33	-2.0	-94.13	328.88	3.44	-90.69
CC(C)COC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007791301	0	44	-2.0	-143.39	383.16	6.59	-136.80
COCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007791456	0	41	-2.0	-134.38	366.46	4.82	-129.56
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007791460	1	35	-2.0	-96.38	337.96	2.40	-93.98
CCC1(CC)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1OC	REAL300007791570	0	47	-2.0	-136.00	390.03	6.09	-129.91
CCC1(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1OC	REAL300007791574	1	41	-2.0	-93.66	359.98	3.70	-89.96
CCCC1(COC)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007791685	0	47	-2.0	-135.52	374.92	6.69	-128.83
CCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007791925	0	40	-2.0	-134.28	354.29	6.53	-127.75
CCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007791928	1	34	-2.0	-95.15	324.53	4.18	-90.97
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC3OCCC32)C=C1C(=O)[O-]	REAL300007792034	0	42	-2.0	-136.83	356.04	4.78	-132.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC3OCCC32)=C1	REAL300007792038	1	36	-2.0	-93.34	320.19	2.76	-90.58
CC(C)CCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007792152	0	49	-2.0	-134.59	400.15	9.34	-125.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C2C2CCC3C2)C=C1C(=O)[O-]	REAL300007792263	0	39	-2.0	-137.75	323.82	7.55	-130.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3C2C2CCC3C2)=C1	REAL300007792267	1	33	-2.0	-98.00	307.13	4.05	-93.95
C=C(C)COCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007792470	0	38	-2.0	-140.03	348.82	4.55	-135.48
C=C(C)COCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007792474	1	32	-2.0	-97.80	319.93	1.85	-95.95
CCOC1CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C12CCC2	REAL300007792572	0	48	-2.0	-134.93	397.73	7.91	-127.02
CCC1(CC)C(OC)CC1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007792674	0	50	-2.0	-133.81	382.65	7.65	-126.16
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3(CCOCC3)C2)C=C1C(=O)[O-]	REAL300007792776	0	46	-2.0	-135.32	377.26	3.86	-131.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3(CCOCC3)C2)=C1	REAL300007792780	1	40	-2.0	-95.18	346.95	1.40	-93.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CCC4=CC=CC=C4C32)C=C1C(=O)[O-]	REAL300007792887	0	42	-2.0	-133.56	368.49	8.76	-124.80
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CCC4=CC=CC=C4C32)=C1	REAL300007792891	1	36	-2.0	-99.94	339.42	5.70	-94.24
CN(C1CC1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007793005	0	41	-2.0	-137.69	365.02	9.01	-128.68
CSC1CCCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007793225	0	41	-2.0	-139.05	353.45	7.57	-131.48
CN(CCC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007793351	0	37	-2.0	-135.30	332.18	7.18	-128.12
CC1=NOC(C)=C1C(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007793642	0	42	-2.0	-137.07	370.98	5.95	-131.12
CC1=NOC(C)=C1C(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007793646	1	36	-2.0	-93.59	341.96	3.27	-90.32
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCC2)C=C1C(=O)[O-]	REAL300007793754	0	41	-2.0	-135.26	349.93	7.13	-128.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3CC3)CCC2)=C1	REAL300007793758	1	35	-2.0	-96.36	323.13	4.54	-91.82
CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007793852	1	36	-2.0	-99.86	342.79	0.46	-99.40
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CC2)C=C1C(=O)[O-]	REAL300007793933	0	38	-2.0	-135.21	335.07	6.70	-128.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3CC3)CC2)=C1	REAL300007793936	1	32	-2.0	-96.03	308.39	4.08	-91.95
CC(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007794035	0	46	-2.0	-138.55	397.34	8.57	-129.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007794148	0	44	-2.0	-137.34	377.23	8.33	-129.01
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC3=CC=CC=C32)=C1	REAL300007794152	1	38	-2.0	-98.82	349.53	5.66	-93.16
CC1=CC(C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300007794351	0	40	-2.0	-138.25	360.79	7.07	-131.18
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCSC(F)(F)F	REAL300007794402	1	25	-2.0	-114.63	274.34	0.46	-114.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CCSC(F)(F)F)O1	REAL300007794407	1	25	-2.0	-92.73	281.72	1.88	-90.85
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CCSC(F)(F)F)O1	REAL300007794408	1	28	-2.0	-93.76	299.95	2.33	-91.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CCSC(F)(F)F)O1	REAL300007794413	1	25	-2.0	-92.73	281.72	1.88	-90.85
O=C([O-])C1=COC(S(=O)(=O)[N-]CCSC(F)(F)F)=C1	REAL300007794426	1	25	-2.0	-91.87	281.96	1.62	-90.25
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CCSC(F)(F)F	REAL300007794430	1	24	-2.0	-112.10	275.28	1.75	-110.35
O=C([O-])C1=C(S(=O)(=O)[N-]CCSC(F)(F)F)SC=N1	REAL300007794431	1	24	-2.0	-114.96	278.54	1.21	-113.75
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CCSC(F)(F)F)=C1	REAL300007794469	1	28	-2.0	-94.84	299.69	2.47	-92.37
O=C([O-])C1=C(S(=O)(=O)[N-]CCSC(F)(F)F)OC=C1	REAL300007794471	1	25	-2.0	-115.05	278.32	1.94	-113.11
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCSC(F)(F)F	REAL300007794474	1	25	-2.0	-114.63	274.34	0.46	-114.17
O=C([O-])C1=CC=C(S(=O)(=O)NCCSC(F)(F)F)C=C1C(=O)[O-]	REAL300007794476	0	31	-2.0	-134.43	326.08	4.85	-129.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSC(F)(F)F)=C1	REAL300007794480	0	25	-2.0	-87.62	296.62	2.16	-85.46
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)[N-]CCSC(F)(F)F)=C2	REAL300007794494	1	28	-2.0	-83.49	326.69	4.09	-79.40
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCSC(F)(F)F	REAL300007794501	1	25	-2.0	-114.63	274.34	0.46	-114.17
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC3=C2C=CO3)C=C1C(=O)[O-]	REAL300007794595	0	38	-2.0	-135.79	336.73	5.97	-129.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC3=C2C=CO3)=C1	REAL300007794599	1	32	-2.0	-100.69	313.70	3.28	-97.41
CCC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007794733	1	30	-2.0	-122.78	304.33	3.61	-119.17
CCC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007794779	0	37	-2.0	-133.84	355.12	6.72	-127.12
O=C([O-])CN1C=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)C=N1	REAL300007794823	1	34	-2.0	-98.48	325.77	4.16	-94.32
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)S1	REAL300007794824	1	31	-2.0	-95.14	313.48	5.15	-89.99
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794825	0	31	-2.0	-121.25	297.32	3.08	-118.17
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794827	1	34	-2.0	-117.65	328.30	7.49	-110.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007794828	0	31	-2.0	-99.24	305.95	4.39	-94.85
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007794829	0	34	-2.0	-101.46	324.16	4.85	-96.61
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794830	0	37	-2.0	-105.14	353.59	6.59	-98.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)O1	REAL300007794831	0	31	-2.0	-99.24	305.95	4.39	-94.85
O=C([O-])C1=CSC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794833	0	31	-2.0	-99.46	314.42	5.06	-94.40
O=C([O-])C1=COC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794839	0	31	-2.0	-98.56	306.19	4.14	-94.42
CC1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007794841	1	34	-2.0	-100.63	324.20	5.18	-95.45
O=C([O-])C1=CN=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794842	1	33	-2.0	-96.78	316.35	4.22	-92.56
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794843	0	30	-2.0	-120.04	297.88	4.13	-115.91
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)SC=N1	REAL300007794844	0	30	-2.0	-122.30	302.77	3.74	-118.56
O=C([O-])CCCCCS(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794846	0	39	-2.0	-93.93	358.82	6.04	-87.89
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794848	1	34	-2.0	-98.75	337.92	6.53	-92.22
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794851	1	34	-2.0	-98.75	337.92	6.53	-92.22
O=C([O-])CC1(CS(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)CC1	REAL300007794856	0	37	-2.0	-104.01	340.04	5.75	-98.26
COC1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)SC(C(=O)[O-])=C1	REAL300007794858	0	35	-2.0	-100.35	343.72	4.48	-95.87
CCC1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007794860	1	37	-2.0	-100.53	343.32	6.12	-94.41
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)C=C1F	REAL300007794864	1	37	-2.0	-96.73	348.76	6.83	-89.90
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794866	0	34	-2.0	-101.49	323.90	4.99	-96.50
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)OC=C1	REAL300007794868	0	31	-2.0	-120.59	298.42	4.89	-115.70
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794870	0	31	-2.0	-121.25	297.32	3.08	-118.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C1	REAL300007794872	0	31	-2.0	-94.43	320.88	4.68	-89.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=NN1	REAL300007794874	0	31	-2.0	-95.84	304.68	2.29	-93.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)S1	REAL300007794876	1	34	-2.0	-102.45	332.48	5.75	-96.70
O=C([O-])C1=NC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=C2C=CC=CN21	REAL300007794878	0	37	-2.0	-124.59	347.53	4.67	-119.92
O=C([O-])C1=CN2C=NC(S(=O)(=O)[N-]C(C3=CC=CC=C3)C(F)(F)F)=C2C=C1	REAL300007794879	0	37	-2.0	-96.48	347.75	7.27	-89.21
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794880	0	34	-2.0	-99.69	326.45	5.18	-94.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)=NN1	REAL300007794881	0	31	-2.0	-95.84	304.68	2.29	-93.55
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C(F)(F)F)C=C(Cl)S1	REAL300007794882	0	31	-2.0	-113.18	320.93	6.31	-106.87
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794883	0	34	-2.0	-117.79	310.21	5.62	-112.17
O=C([O-])C1=CC=NC=C1S(=O)(=O)[N-]C(C1=CC=CC=C1)C(F)(F)F	REAL300007794887	1	33	-2.0	-116.68	303.83	4.93	-111.75
CCC(CC)CN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007794975	0	45	-2.0	-135.01	366.01	8.00	-127.01
CCN(CC1CCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007795093	0	41	-2.0	-136.11	352.06	5.62	-130.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCS(=O)(=O)C2=CC=CC=C2)=C1	REAL300007795188	1	34	-2.0	-99.83	352.83	1.12	-98.71
CN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007795275	0	48	-2.0	-137.30	366.63	9.04	-128.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300007795389	1	38	-2.0	-97.42	376.31	5.00	-92.42
CC1=CC2=C(CC(C)(C)CC2[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])O1	REAL300007795499	1	40	-2.0	-130.29	349.95	4.60	-125.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NN=CN2C2=CC=CC=C2)=C1	REAL300007795621	1	34	-2.0	-99.36	343.53	5.63	-93.73
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCO1	REAL300007795788	0	38	-2.0	-132.30	333.32	3.93	-128.37
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCO1	REAL300007795792	1	32	-2.0	-96.05	302.75	1.71	-94.34
CC(C)CN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007795883	0	40	-2.0	-135.12	338.24	7.72	-127.40
CC(C)C(C)N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007795993	0	43	-2.0	-136.09	345.35	8.01	-128.08
CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007796093	1	38	-2.0	-96.35	370.98	0.01	-96.34
CC(C)CCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007796198	0	43	-2.0	-139.75	365.22	8.21	-131.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC3=CC=CC=C3C=C2)=C1	REAL300007796279	1	38	-2.0	-100.87	367.98	5.24	-95.63
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)CO1	REAL300007796365	0	38	-2.0	-134.47	321.31	4.92	-129.55
COC1=CC=C(F)C=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007796429	1	34	-2.0	-127.26	319.86	3.33	-123.93
COC1=CC=C(F)C=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007796467	0	41	-2.0	-135.87	371.13	6.19	-129.68
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCCCC2)=C1	REAL300007796551	1	44	-2.0	-99.11	376.48	7.18	-91.93
C=CCN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007796661	0	41	-2.0	-137.61	369.34	9.31	-128.30
COCCN(CC1=CC=CO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007796852	0	41	-2.0	-134.29	371.05	6.17	-128.12
COCCN(CC(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007796970	0	43	-2.0	-135.09	364.38	6.61	-128.48
CCC(CC)N(CCOC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007797087	0	46	-2.0	-141.09	362.44	7.01	-134.08
CCOC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007797303	0	41	-2.0	-134.32	354.87	5.97	-128.35
CN(C1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007797492	0	34	-2.0	-131.75	323.53	7.56	-124.19
CN1C=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300007797594	0	37	-2.0	-137.18	345.84	4.60	-132.58
CN1C=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=N1	REAL300007797598	1	31	-2.0	-97.20	316.38	1.91	-95.29
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(Cl)S2)C=C1C(=O)[O-]	REAL300007797780	0	31	-2.0	-131.86	328.79	5.76	-126.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(Cl)S2)=C1	REAL300007797784	1	25	-2.0	-91.00	299.34	3.05	-87.95
COC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1F	REAL300007797854	1	31	-2.0	-123.79	306.46	2.31	-121.48
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300007797898	0	38	-2.0	-137.09	357.25	5.41	-131.68
CN1C=NN=C1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007798008	0	43	-2.0	-142.80	375.63	8.42	-134.38
CN1N=CC2=C1CCCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007798128	1	34	-2.0	-133.18	311.79	2.33	-130.85
CN1N=CC2=C1CCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007798172	0	41	-2.0	-145.39	362.76	5.31	-140.08
CC1=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=NN1C	REAL300007798245	1	33	-2.0	-126.49	306.66	2.02	-124.47
CC1=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=NN1C	REAL300007798291	0	40	-2.0	-135.58	358.36	4.88	-130.70
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CN(C)N=C1	REAL300007798474	1	30	-2.0	-123.80	289.40	1.54	-122.26
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CN(C)N=C1	REAL300007798519	0	37	-2.0	-134.61	341.78	4.45	-130.16
CC(C)(C)C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007798633	0	46	-2.0	-138.45	369.88	7.98	-130.47
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007798770	0	34	-2.0	-135.38	306.53	5.76	-129.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300007798864	0	41	-2.0	-137.00	348.83	7.36	-129.64
CCC1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007798990	1	30	-2.0	-120.52	286.91	0.64	-119.88
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007798995	1	30	-2.0	-96.95	295.56	1.96	-94.99
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300007798996	1	33	-2.0	-99.67	313.79	2.44	-97.23
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007799001	1	30	-2.0	-96.95	295.56	1.96	-94.99
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2OC)=C1	REAL300007799003	1	37	-2.0	-95.87	349.73	5.00	-90.87
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007799013	1	38	-2.0	-90.61	349.04	4.62	-85.99
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300007799014	1	30	-2.0	-97.61	295.81	1.71	-95.90
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300007799016	1	33	-2.0	-99.19	313.84	2.73	-96.46
CCC1=NOC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007799018	0	29	-2.0	-115.58	289.12	1.85	-113.73
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007799019	1	29	-2.0	-120.35	291.26	1.33	-119.02
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300007799037	1	37	-2.0	-95.68	343.40	4.03	-91.65
CCC1=NOC(C[N-]S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)=C1	REAL300007799040	1	34	-2.0	-98.65	333.31	2.05	-96.60
CCC1=NOC(C[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300007799044	1	36	-2.0	-99.32	332.94	3.71	-95.61
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007799045	1	35	-2.0	-107.95	329.40	5.19	-102.76
CCC1=NOC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007799047	1	35	-2.0	-107.30	329.38	5.19	-102.11
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007799057	1	33	-2.0	-98.92	313.53	2.55	-96.37
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300007799060	1	30	-2.0	-120.32	288.01	2.45	-117.87
CCC1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007799063	1	30	-2.0	-120.52	286.91	0.64	-119.88
CCC1=NOC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007799065	0	36	-2.0	-133.32	339.92	4.95	-128.37
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007799069	1	30	-2.0	-93.21	310.46	2.25	-90.96
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007799080	1	36	-2.0	-98.26	336.57	5.27	-92.99
CCC1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007799088	1	30	-2.0	-120.52	286.91	0.64	-119.88
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007799089	1	30	-2.0	-109.06	311.67	4.02	-105.04
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCOC2)C=C1C(=O)[O-]	REAL300007799137	0	35	-2.0	-138.19	313.50	3.17	-135.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC2)=C1	REAL300007799139	1	29	-2.0	-94.34	281.13	0.71	-93.63
COCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007799242	0	41	-2.0	-134.64	354.38	5.71	-128.93
CC(C)C1=CC=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007799431	1	43	-2.0	-95.27	395.29	6.85	-88.42
CC(C)CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007799536	0	43	-2.0	-135.84	366.11	7.72	-128.12
COCCOC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007799650	0	45	-2.0	-136.91	388.44	5.25	-131.66
COCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007799754	0	38	-2.0	-135.38	339.95	4.81	-130.57
CC1=CC(C)=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007799860	0	46	-2.0	-135.80	397.52	8.48	-127.32
CC1=CC(C)=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007799864	1	40	-2.0	-97.34	368.08	5.81	-91.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=C(F)C=CC=C2Cl)=C1	REAL300007799965	1	31	-2.0	-100.64	332.93	4.57	-96.07
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300007800071	0	49	-2.0	-136.51	391.47	7.38	-129.13
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC(C)(C)C1	REAL300007800075	1	43	-2.0	-98.76	361.06	4.98	-93.78
C#CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1	REAL300007800143	1	32	-2.0	-120.57	317.20	5.06	-115.51
C#CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007800189	0	39	-2.0	-138.41	367.87	8.06	-130.35
CC(C)CC1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007800309	0	44	-2.0	-138.68	357.13	6.04	-132.64
CCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007800383	0	37	-2.0	-134.08	332.88	5.82	-128.26
CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007800385	1	31	-2.0	-95.25	303.89	3.11	-92.14
CCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007800469	0	40	-2.0	-134.83	345.24	6.22	-128.61
CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007800472	1	34	-2.0	-96.03	314.97	3.50	-92.53
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCCC(F)(F)F	REAL300007800504	1	27	-2.0	-117.99	271.01	0.59	-117.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CCCC(F)(F)F)O1	REAL300007800509	1	27	-2.0	-96.31	278.39	2.00	-94.31
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CCCC(F)(F)F)O1	REAL300007800510	1	30	-2.0	-97.45	296.62	2.46	-94.99
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CCCC(F)(F)F)O1	REAL300007800515	1	27	-2.0	-96.31	278.39	2.00	-94.31
O=C([O-])C1=COC(S(=O)(=O)[N-]CCCC(F)(F)F)=C1	REAL300007800528	1	27	-2.0	-95.43	278.63	1.74	-93.69
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CCCC(F)(F)F	REAL300007800532	1	26	-2.0	-116.29	271.94	1.88	-114.41
O=C([O-])C1=C(S(=O)(=O)[N-]CCCC(F)(F)F)SC=N1	REAL300007800533	1	26	-2.0	-118.80	275.21	1.34	-117.46
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CCCC(F)(F)F)=C1	REAL300007800571	1	30	-2.0	-98.50	296.35	2.59	-95.91
O=C([O-])C1=C(S(=O)(=O)[N-]CCCC(F)(F)F)OC=C1	REAL300007800574	1	27	-2.0	-118.28	274.98	2.06	-116.22
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCCC(F)(F)F	REAL300007800577	1	27	-2.0	-117.99	271.01	0.59	-117.40
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC(F)(F)F)C=C1C(=O)[O-]	REAL300007800579	0	33	-2.0	-135.85	322.74	4.97	-130.88
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC(F)(F)F)=C1	REAL300007800583	0	27	-2.0	-91.22	293.29	2.28	-88.94
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)[N-]CCCC(F)(F)F)=C2	REAL300007800596	1	30	-2.0	-86.81	323.36	4.22	-82.59
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCCC(F)(F)F	REAL300007800602	1	27	-2.0	-117.99	271.01	0.59	-117.40
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007800675	1	34	-2.0	-93.00	350.17	3.64	-89.36
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCO1	REAL300007800765	0	38	-2.0	-134.74	335.54	4.02	-130.72
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCO1	REAL300007800769	1	32	-2.0	-99.51	307.95	1.35	-98.16
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)CC2)C=C1C(=O)[O-]	REAL300007800871	0	40	-2.0	-142.45	362.78	2.45	-140.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)=C1	REAL300007800875	1	34	-2.0	-97.54	333.71	-0.22	-97.76
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=COC(C3=CC=CC=C3)=N2)=C1	REAL300007800974	1	34	-2.0	-102.56	348.73	1.78	-100.78
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCC1	REAL300007801298	0	40	-2.0	-135.15	337.65	6.11	-129.04
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCC1	REAL300007801301	1	34	-2.0	-94.61	309.79	4.03	-90.58
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)NS(C)(=O)=O	REAL300007801399	0	41	-2.0	-147.78	363.56	0.64	-147.14
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)NS(C)(=O)=O	REAL300007801403	1	35	-2.0	-97.85	334.51	-2.12	-99.97
C=CCOC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007801588	1	35	-2.0	-133.46	333.93	3.80	-129.66
C=CCOC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007801630	0	42	-2.0	-137.94	384.73	6.90	-131.04
CCC1=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=NN1	REAL300007801697	1	30	-2.0	-127.08	294.05	0.64	-126.44
CCC1=NNC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007801742	0	37	-2.0	-133.56	344.77	3.72	-129.84
CCC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=NN1	REAL300007801742	1	37	-2.0	-136.74	344.82	3.72	-133.02
CC1=CC=CC=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC1	REAL300007801851	0	44	-2.0	-136.27	384.09	9.13	-127.14
CC1=CC=CC=C1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C	REAL300007801963	0	46	-2.0	-137.15	389.23	8.63	-128.52
CN1C2=CC=C(F)C=C2N=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007802120	1	33	-2.0	-129.75	323.64	3.39	-126.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(SC3=CC=CC=C3)CC2)=C1	REAL300007802241	1	36	-2.0	-98.02	358.30	5.95	-92.07
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007802390	0	41	-2.0	-134.79	365.28	7.88	-126.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3=CC=CC=C32)=C1	REAL300007802394	1	35	-2.0	-98.87	336.56	5.19	-93.68
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300007802502	0	39	-2.0	-134.34	342.07	7.31	-127.03
C=CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007802591	0	38	-2.0	-134.23	334.20	7.15	-127.08
CC1=CC=C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007802694	0	41	-2.0	-142.13	349.78	9.04	-133.09
CC(C)C(C1=CC=CC=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007802801	0	46	-2.0	-134.99	370.45	8.86	-126.13
CCCC(C)(O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007802911	0	40	-2.0	-134.80	349.77	2.66	-132.14
CCCC(C)(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007802915	1	34	-2.0	-95.15	321.99	0.06	-95.09
CC(C)C(C)(O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007803015	0	40	-2.0	-134.32	342.40	2.60	-131.72
CC(C)C(C)(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007803019	1	34	-2.0	-95.91	314.27	-0.40	-96.31
CCSC1CCCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007803124	0	44	-2.0	-134.87	373.92	8.59	-126.28
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOC1	REAL300007803269	0	38	-2.0	-137.86	334.32	3.76	-134.10
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOC1	REAL300007803273	1	32	-2.0	-94.56	306.49	1.10	-93.46
CN(CCN1C=CC=N1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007803375	0	37	-2.0	-133.93	341.45	5.84	-128.09
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803475	1	38	-2.0	-104.04	353.71	1.39	-102.65
O=C([O-])C1=CC=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803476	1	38	-2.0	-109.25	353.73	1.38	-107.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803477	1	41	-2.0	-109.17	368.36	2.29	-106.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803478	1	42	-2.0	-109.06	374.12	1.21	-107.85
CC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1C(=O)[O-]	REAL300007803479	1	41	-2.0	-108.34	369.75	1.92	-106.42
O=C([O-])C1=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=CS1	REAL300007803480	1	35	-2.0	-108.26	336.90	1.15	-107.11
O=C([O-])C1=CC=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803481	1	38	-2.0	-109.25	353.73	1.38	-107.87
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803482	1	38	-2.0	-104.04	353.71	1.39	-102.65
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803483	1	38	-2.0	-112.52	343.05	2.25	-110.27
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CN1	REAL300007803484	1	36	-2.0	-106.94	342.25	-0.89	-107.83
O=C([O-])CN1C=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=N1	REAL300007803485	1	38	-2.0	-106.45	358.29	-0.49	-106.94
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])S1	REAL300007803486	1	35	-2.0	-102.69	346.00	0.52	-102.17
O=C([O-])C1=CNN=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803487	1	35	-2.0	-109.96	329.84	-1.58	-111.54
O=C([O-])C1CCCN(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300007803488	1	43	-2.0	-105.53	369.15	0.40	-105.13
O=C([O-])C1CCN(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300007803489	1	43	-2.0	-104.91	370.77	0.52	-104.39
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803490	1	38	-2.0	-112.52	343.05	2.25	-110.27
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803491	1	38	-2.0	-105.59	359.76	2.79	-102.80
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300007803492	1	35	-2.0	-104.78	338.49	-0.25	-105.03
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300007803493	1	38	-2.0	-105.09	356.72	0.22	-104.87
O=C([O-])CCCS(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803494	1	37	-2.0	-106.66	339.75	0.01	-106.65
O=C([O-])C1CCCN1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803495	1	40	-2.0	-112.55	353.53	0.53	-112.02
O=C([O-])C1=CC=C(CS(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803496	1	41	-2.0	-110.85	377.52	2.11	-108.74
O=C([O-])C1CCN(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300007803497	1	43	-2.0	-104.91	370.77	0.52	-104.39
O=C([O-])C1=CC=CC(CS(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803498	1	41	-2.0	-114.41	377.52	2.10	-112.31
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300007803499	1	35	-2.0	-104.78	338.49	-0.25	-105.03
O=C([O-])COC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803500	1	42	-2.0	-103.24	384.80	1.67	-101.57
O=C([O-])CCCS(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803501	1	37	-2.0	-106.66	339.75	0.01	-106.65
O=C([O-])C1=CSC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803502	1	35	-2.0	-105.22	346.91	0.41	-104.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1C	REAL300007803503	1	44	-2.0	-110.06	385.32	2.82	-107.24
CC1=CC=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1C(=O)[O-]	REAL300007803504	1	41	-2.0	-117.17	370.38	2.44	-114.73
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CS1	REAL300007803505	1	35	-2.0	-107.37	345.38	0.41	-106.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803506	1	41	-2.0	-106.98	362.91	2.13	-104.85
O=C([O-])CC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803507	1	41	-2.0	-103.16	375.90	2.17	-100.99
O=C([O-])C1=COC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803508	1	35	-2.0	-104.66	338.73	-0.51	-105.17
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803509	1	41	-2.0	-106.73	375.90	2.16	-104.57
CC1=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C(C(=O)[O-])O1	REAL300007803510	1	38	-2.0	-106.71	358.48	0.48	-106.23
O=C([O-])C1=CN=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803511	1	37	-2.0	-103.04	348.89	-0.42	-103.46
O=C([O-])C1=NSC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803512	1	34	-2.0	-112.07	331.25	-0.37	-112.44
O=C([O-])C1=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])SC=N1	REAL300007803513	1	34	-2.0	-113.21	335.30	-0.90	-114.11
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803514	1	37	-2.0	-115.16	339.72	0.47	-114.69
O=C([O-])CCCCCS(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803515	1	43	-2.0	-107.23	382.75	1.58	-105.65
O=C([O-])C1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=N1	REAL300007803516	1	37	-2.0	-106.04	349.59	-0.41	-106.45
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803517	1	38	-2.0	-103.48	370.45	1.89	-101.59
COC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1C(=O)[O-]	REAL300007803518	1	42	-2.0	-114.49	381.01	1.45	-113.04
CC1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300007803519	1	41	-2.0	-103.38	369.74	1.93	-101.45
CN(CCC(=O)[O-])S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803520	1	39	-2.0	-104.81	352.89	-0.40	-105.21
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803521	1	38	-2.0	-103.48	370.45	1.89	-101.59
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803522	1	38	-2.0	-109.43	354.28	1.99	-107.44
O=C([O-])C1=CC=C(CS(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300007803523	1	41	-2.0	-110.85	377.52	2.11	-108.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803524	1	42	-2.0	-109.06	374.12	1.21	-107.85
CC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1C(=O)[O-]	REAL300007803525	1	41	-2.0	-108.34	369.75	1.92	-106.42
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803526	1	41	-2.0	-109.17	368.36	2.29	-106.88
O=C([O-])CC1(CS(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300007803527	1	41	-2.0	-104.84	364.30	1.25	-103.59
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803528	1	41	-2.0	-106.73	375.90	2.16	-104.57
CCC1=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C(C(=O)[O-])O1	REAL300007803529	1	41	-2.0	-106.12	378.07	1.29	-104.83
CC1=NC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1C(=O)[O-]	REAL300007803530	1	40	-2.0	-102.22	365.17	0.10	-102.12
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803531	1	42	-2.0	-103.22	374.15	1.21	-102.01
COC1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300007803532	1	42	-2.0	-109.05	381.00	1.46	-107.59
O=C([O-])CC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1F	REAL300007803533	1	41	-2.0	-104.74	381.35	2.21	-102.53
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803534	1	38	-2.0	-107.58	345.71	-0.28	-107.86
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803535	1	38	-2.0	-105.87	356.45	0.34	-105.53
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1Cl	REAL300007803536	1	38	-2.0	-106.49	366.23	1.78	-104.71
O=C([O-])C1=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])OC=C1	REAL300007803537	1	35	-2.0	-110.93	330.94	0.24	-110.69
O=C([O-])C1(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1	REAL300007803538	1	38	-2.0	-104.90	337.88	0.59	-104.31
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803539	1	42	-2.0	-110.72	372.42	1.58	-109.14
O=C([O-])C1=CNN=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803540	1	35	-2.0	-109.96	329.84	-1.58	-111.54
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803541	1	38	-2.0	-107.58	345.71	-0.28	-107.86
O=C([O-])C1=CC=NC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803542	1	37	-2.0	-103.97	349.95	-0.50	-104.47
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803543	1	41	-2.0	-114.40	367.47	2.54	-111.86
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300007803544	1	35	-2.0	-101.28	353.39	0.03	-101.25
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCNC(=O)C2=NC=CC=C2O)=C1	REAL300007803544	1	35	-2.0	-102.86	354.71	-1.33	-104.19
COC1=CC=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C(C(=O)[O-])=C1	REAL300007803545	1	42	-2.0	-113.20	372.47	1.55	-111.65
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=N1	REAL300007803546	1	37	-2.0	-110.94	349.79	-0.40	-111.34
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=NN1	REAL300007803547	1	35	-2.0	-99.44	337.21	-2.36	-101.80
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803548	1	38	-2.0	-109.42	355.24	-0.87	-110.29
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300007803549	1	38	-2.0	-107.51	342.12	0.42	-107.09
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300007803550	1	41	-2.0	-108.57	360.64	1.07	-107.50
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])S1	REAL300007803551	1	38	-2.0	-105.40	365.01	1.11	-104.29
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803552	1	41	-2.0	-114.90	366.08	2.58	-112.32
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803553	1	38	-2.0	-108.83	350.39	0.72	-108.11
O=C([O-])C1CCCCN1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803554	1	43	-2.0	-110.99	360.75	1.45	-109.54
O=C([O-])C1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=NN1	REAL300007803555	1	35	-2.0	-99.44	337.21	-2.36	-101.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803556	1	40	-2.0	-109.84	355.84	0.08	-109.76
O=C([O-])C1=CNN=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803557	1	35	-2.0	-109.96	329.84	-1.58	-111.54
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803558	1	38	-2.0	-112.74	334.10	1.12	-111.62
CC1=CC(S(=O)(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CN=C1C(=O)[O-]	REAL300007803559	1	40	-2.0	-106.33	366.12	0.15	-106.18
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803560	1	41	-2.0	-114.90	366.08	2.58	-112.32
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300007803561	1	37	-2.0	-105.82	338.59	0.45	-105.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3)CCOCC2)=C1	REAL300007803634	1	39	-2.0	-94.60	345.95	4.56	-90.04
CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007803722	1	36	-2.0	-100.21	355.48	-0.77	-100.98
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300007803819	0	41	-2.0	-134.63	365.58	7.98	-126.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC3=CC(F)=CC=C32)=C1	REAL300007803823	1	35	-2.0	-95.73	337.76	5.32	-90.41
CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOCC1	REAL300007803937	0	41	-2.0	-137.62	330.41	4.49	-133.13
CCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOCC1	REAL300007803941	1	35	-2.0	-91.80	309.27	2.44	-89.36
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CCOC3C23CCC3)C=C1C(=O)[O-]	REAL300007804052	0	43	-2.0	-138.01	366.09	6.24	-131.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CCOC3C23CCC3)=C1	REAL300007804056	1	37	-2.0	-96.35	341.54	3.06	-93.29
CC1CCCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007804173	0	40	-2.0	-134.96	336.14	7.49	-127.47
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC(F)=C1F	REAL300007804235	1	30	-2.0	-115.69	296.90	4.00	-111.69
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(F)=C1F	REAL300007804279	0	37	-2.0	-146.84	348.94	6.83	-140.01
CC1=CC=C2CC(C)C(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007804392	0	44	-2.0	-139.17	380.24	8.68	-130.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC(C3=CC=CC=C3)C2)=C1	REAL300007804494	1	39	-2.0	-95.43	358.49	4.79	-90.64
CCOC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007804774	0	44	-2.0	-136.67	389.93	7.06	-129.61
CCOC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007804778	1	38	-2.0	-97.55	363.51	4.49	-93.06
COC1=CC=C([N+](=O)[O-])C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007804841	1	33	-2.0	-120.01	327.37	2.94	-117.07
CC(C)(COCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007804946	1	41	-2.0	-94.17	377.33	5.18	-88.99
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)C=C1C(=O)[O-]	REAL300007805044	0	44	-2.0	-134.48	376.43	7.72	-126.76
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)=C1	REAL300007805048	1	38	-2.0	-95.83	346.19	5.10	-90.73
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC3C2)C=C1C(=O)[O-]	REAL300007805117	0	35	-2.0	-137.64	314.01	5.65	-131.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CC3C2)=C1	REAL300007805119	1	29	-2.0	-95.81	285.01	3.20	-92.61
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOC1	REAL300007805232	0	35	-2.0	-134.06	301.31	2.70	-131.36
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOC1	REAL300007805234	1	29	-2.0	-95.34	278.45	0.69	-94.65
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=C(C)ON=C1C	REAL300007805372	1	35	-2.0	-117.21	324.98	3.25	-113.96
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=C(C)ON=C1C	REAL300007805416	0	42	-2.0	-134.29	374.43	6.41	-127.88
CC1=NC(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=C(Cl)C=C2)=NO1	REAL300007805867	1	36	-2.0	-129.85	352.69	1.24	-128.61
CC1=NC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805868	0	36	-2.0	-107.96	361.32	2.56	-105.40
CC1=NC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805870	0	36	-2.0	-107.96	361.32	2.56	-105.40
CC1=NC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805872	0	36	-2.0	-106.59	361.61	2.31	-104.28
CC1=NC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805875	0	36	-2.0	-129.26	353.80	3.06	-126.20
CC1=NC(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=C(Cl)C=C2)=NO1	REAL300007805877	1	36	-2.0	-129.85	352.69	1.24	-128.61
CC1=NC(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805878	1	36	-2.0	-103.29	360.07	0.45	-102.84
CC1=NC(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)=NO1	REAL300007805882	1	36	-2.0	-103.29	360.07	0.45	-102.84
CC1=NC(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=C(Cl)C=C2)=NO1	REAL300007805883	1	36	-2.0	-129.85	352.69	1.24	-128.61
CC1CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007805972	0	41	-2.0	-134.65	356.61	4.76	-129.89
CC1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007805976	1	35	-2.0	-94.26	327.53	2.05	-92.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(CC3=CC=CC=C3)CCCC2)=C1	REAL300007806059	1	44	-2.0	-99.77	386.63	7.06	-92.71
CCC1(CC)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)C1OC	REAL300007806150	0	50	-2.0	-138.81	409.20	6.48	-132.33
CCC1(CC)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)C1OC	REAL300007806154	1	44	-2.0	-102.33	376.82	4.10	-98.23
CCC1=NN(C)C(OC)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007806216	1	37	-2.0	-128.15	348.20	0.78	-127.37
CCC1=NN(C)C(OC)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007806254	0	44	-2.0	-133.81	398.98	3.88	-129.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC=C(F)C2)C=C1C(=O)[O-]	REAL300007806323	0	32	-2.0	-132.71	299.22	5.98	-126.73
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC2=CC=CC=C21	REAL300007806412	1	41	-2.0	-98.81	364.92	6.17	-92.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC23CCOC3)C=C1C(=O)[O-]	REAL300007806520	0	40	-2.0	-142.03	328.76	3.32	-138.71
C=CCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007806593	0	35	-2.0	-135.54	318.90	6.79	-128.75
CC1=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)SC=C1	REAL300007806696	0	37	-2.0	-136.18	351.80	6.47	-129.71
CC1=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)SC=C1	REAL300007806700	1	31	-2.0	-95.64	322.34	3.78	-91.86
COC1C(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(C)C	REAL300007806971	0	44	-2.0	-137.72	374.82	5.45	-132.27
COC1C(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1(C)C	REAL300007806975	1	38	-2.0	-94.26	341.79	2.80	-91.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCOCC2)C=C1C(=O)[O-]	REAL300007807177	0	45	-2.0	-137.39	369.87	6.89	-130.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC3=CC(F)=CC=C32)=C1	REAL300007807278	1	36	-2.0	-96.30	340.06	4.51	-91.79
CC(C)(C)CC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C(F)(F)F	REAL300007807328	1	39	-2.0	-94.43	341.12	4.17	-90.26
CC(C)(C)CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(F)(F)F	REAL300007807329	1	36	-2.0	-90.85	328.82	5.18	-85.67
CC(C)(C)CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(F)(F)F	REAL300007807330	0	36	-2.0	-118.79	313.94	3.02	-115.77
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C(F)(F)F	REAL300007807332	1	39	-2.0	-111.71	340.45	7.37	-104.34
CC(C)(C)CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(F)(F)F	REAL300007807333	0	36	-2.0	-96.58	321.31	4.42	-92.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)O1	REAL300007807334	0	39	-2.0	-96.81	339.55	4.89	-91.92
CC(C)(C)CC([N-]S(=O)(=O)CCCC(=O)[O-])C(F)(F)F	REAL300007807335	0	38	-2.0	-94.23	322.61	4.63	-89.60
CC(C)(C)CC([N-]S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C(F)(F)F	REAL300007807336	0	42	-2.0	-91.67	360.32	6.73	-84.94
CC(C)(C)CC([N-]S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807337	0	42	-2.0	-101.53	359.65	6.73	-94.80
CC(C)(C)CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(F)(F)F	REAL300007807338	0	36	-2.0	-96.58	321.31	4.42	-92.16
CC(C)(C)CC([N-]S(=O)(=O)CCCC(=O)[O-])C(F)(F)F	REAL300007807340	0	38	-2.0	-94.23	322.61	4.63	-89.60
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(F)(F)F	REAL300007807341	0	36	-2.0	-96.73	329.74	5.07	-91.66
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C(F)(F)F	REAL300007807348	0	36	-2.0	-94.80	321.56	4.16	-90.64
CC1=C(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007807350	1	39	-2.0	-97.09	335.91	5.07	-92.02
CC(C)(C)CC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807351	1	38	-2.0	-91.61	331.73	4.25	-87.36
CC(C)(C)CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C(F)(F)F	REAL300007807352	0	35	-2.0	-108.79	308.89	3.85	-104.94
CC(C)(C)CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C(F)(F)F	REAL300007807353	0	35	-2.0	-118.59	318.79	3.66	-114.93
CC(C)(C)CC([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F	REAL300007807355	0	44	-2.0	-90.07	365.61	6.20	-83.87
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807357	1	39	-2.0	-94.75	353.28	6.55	-88.20
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807361	1	39	-2.0	-94.75	353.28	6.55	-88.20
CC(C)(C)CC([N-]S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C(F)(F)F	REAL300007807363	0	42	-2.0	-91.67	360.32	6.73	-84.94
CC(C)(C)CC([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)(F)F	REAL300007807367	0	42	-2.0	-99.59	345.89	5.92	-93.67
COC1=C(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)SC(C(=O)[O-])=C1	REAL300007807369	0	40	-2.0	-96.59	359.06	4.52	-92.07
CCC1=C(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007807372	1	42	-2.0	-98.88	356.07	5.69	-93.19
CC(C)(C)CC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C(F)(F)F	REAL300007807373	1	41	-2.0	-106.35	354.64	7.54	-98.81
CC(C)(C)CC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C(F)(F)F	REAL300007807374	1	41	-2.0	-104.68	351.80	7.51	-97.17
CC(C)(C)CC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C(F)(F)F	REAL300007807379	1	42	-2.0	-92.65	364.14	6.87	-85.78
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)=C1	REAL300007807382	0	39	-2.0	-98.90	339.28	5.01	-93.89
CC(C)(C)CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C(F)(F)F	REAL300007807384	0	36	-2.0	-120.05	317.91	4.46	-115.59
CC(C)(C)CC([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(F)(F)F	REAL300007807385	0	39	-2.0	-107.83	315.19	5.30	-102.53
CC(C)(C)CC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(F)(F)F	REAL300007807387	0	36	-2.0	-118.79	313.94	3.02	-115.77
CC(C)(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(F)(F)F	REAL300007807389	0	42	-2.0	-137.81	358.85	6.70	-131.11
CC(C)(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(F)(F)F	REAL300007807391	0	36	-2.0	-90.75	336.22	4.70	-86.05
CC(C)(C)CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807394	0	36	-2.0	-92.02	320.04	2.31	-89.71
CC(C)(C)CC([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(F)(F)F	REAL300007807396	0	39	-2.0	-96.98	324.95	5.11	-91.87
CC(C)(C)CC([N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(F)(F)F	REAL300007807397	0	42	-2.0	-95.81	339.60	5.60	-90.21
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC(C)(C)C)C(F)(F)F)S1	REAL300007807398	1	39	-2.0	-98.56	347.83	5.77	-92.79
CC(C)(C)CC([N-]S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C(F)(F)F	REAL300007807400	0	42	-2.0	-119.37	364.47	4.65	-114.72
CC(C)(C)CC([N-]S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C(F)(F)F	REAL300007807401	0	42	-2.0	-91.96	363.11	7.31	-84.65
CC(C)(C)CC([N-]S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C(F)(F)F	REAL300007807402	0	39	-2.0	-94.85	332.40	5.33	-89.52
CC(C)(C)CC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C(F)(F)F	REAL300007807403	0	36	-2.0	-92.02	320.04	2.31	-89.71
CC(C)(C)CC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C(F)(F)F	REAL300007807404	0	36	-2.0	-103.29	331.90	6.16	-97.13
CC(C)(C)CC([N-]S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C(F)(F)F	REAL300007807405	0	39	-2.0	-114.00	316.54	5.70	-108.30
CC(C)(C)CC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C(F)(F)F	REAL300007807410	1	38	-2.0	-107.52	318.03	4.88	-102.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC3=C(F)C=CC=C32)=C1	REAL300007807480	1	36	-2.0	-100.38	339.86	4.52	-95.86
COCCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007807536	1	37	-2.0	-120.97	345.96	2.43	-118.54
COCCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007807574	0	44	-2.0	-136.39	399.48	5.57	-130.82
CC(C)C1CCCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007807688	0	46	-2.0	-138.71	353.19	8.62	-130.09
O=C([O-])CN1C=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)C=N1	REAL300007807801	1	34	-2.0	-103.91	332.91	4.28	-99.63
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807802	0	31	-2.0	-128.00	304.42	3.19	-124.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)O1	REAL300007807804	0	31	-2.0	-104.65	313.05	4.52	-100.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)O1	REAL300007807805	0	34	-2.0	-106.09	331.30	4.99	-101.10
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)O1	REAL300007807806	0	31	-2.0	-104.65	313.05	4.52	-100.13
O=C([O-])C1=COC(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)=C1	REAL300007807807	0	31	-2.0	-104.70	313.31	4.25	-100.45
CC1=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007807808	1	34	-2.0	-106.19	331.35	5.30	-100.89
O=C([O-])C1=CN=CC(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)=C1	REAL300007807809	1	33	-2.0	-102.40	323.47	4.34	-98.06
O=C([O-])CCCCCS(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807811	0	39	-2.0	-99.27	365.89	6.18	-93.09
O=C([O-])CC1(CS(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)CC1	REAL300007807813	0	37	-2.0	-110.24	347.06	5.87	-104.37
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)=C1	REAL300007807815	0	34	-2.0	-108.42	331.04	5.11	-103.31
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)OC=C1	REAL300007807816	0	31	-2.0	-128.46	305.57	4.91	-123.55
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807817	0	31	-2.0	-128.00	304.42	3.19	-124.81
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)=NN1	REAL300007807819	0	31	-2.0	-101.39	311.80	2.41	-98.98
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807821	0	34	-2.0	-105.41	333.49	5.31	-100.10
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=C(F)C=CC=C2F)C(F)(F)F)=NN1	REAL300007807822	0	31	-2.0	-101.39	311.80	2.41	-98.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807823	0	34	-2.0	-124.77	317.31	5.72	-119.05
O=C([O-])C1=CC=NC=C1S(=O)(=O)[N-]C(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300007807824	1	33	-2.0	-123.11	314.24	5.24	-117.87
COCCN1C=C2CCCC([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])C2=N1	REAL300007807858	1	41	-2.0	-130.74	361.06	2.94	-127.80
CC1COC2=CC=CC=C2CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007807977	0	42	-2.0	-140.23	367.00	7.66	-132.57
CC1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007808130	0	35	-2.0	-135.49	299.63	4.19	-131.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007808299	0	36	-2.0	-138.77	320.26	6.51	-132.26
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007808407	0	38	-2.0	-135.50	357.59	5.75	-129.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C(F)C=C2)=C1	REAL300007808411	1	32	-2.0	-94.54	328.38	3.03	-91.51
CC1=NOC(C)=C1CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007808613	0	39	-2.0	-135.93	346.33	6.75	-129.18
CC(C)CN(C(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007808719	0	42	-2.0	-135.17	347.15	7.71	-127.46
CCN(CC(F)(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007808826	0	33	-2.0	-140.51	310.25	5.86	-134.65
CN(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007808927	0	39	-2.0	-139.08	359.79	8.71	-130.37
CCCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007809024	0	40	-2.0	-138.35	347.65	7.69	-130.66
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCC2)C=C1C(=O)[O-]	REAL300007809087	0	37	-2.0	-134.66	326.73	5.71	-128.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC2)=C1	REAL300007809089	1	31	-2.0	-95.27	297.47	3.01	-92.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007809196	0	38	-2.0	-137.60	344.21	8.10	-129.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCOCC2)=C1	REAL300007809283	1	42	-2.0	-96.55	368.14	4.83	-91.72
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=C(F)C=C3)CC2)C=C1C(=O)[O-]	REAL300007809451	0	41	-2.0	-139.11	373.65	7.90	-131.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=C(F)C=C3)CC2)=C1	REAL300007809455	1	35	-2.0	-93.59	348.97	5.41	-88.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCNC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007809551	1	35	-2.0	-90.41	355.38	2.97	-87.44
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCCCC2)C=C1C(=O)[O-]	REAL300007809656	0	43	-2.0	-134.75	363.79	6.98	-127.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCCCC2)=C1	REAL300007809660	1	37	-2.0	-95.05	334.35	4.28	-90.77
NS(=O)(=O)C1=CC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007809721	1	32	-2.0	-133.19	324.91	-2.11	-135.30
CC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007809833	0	40	-2.0	-135.46	341.27	6.09	-129.37
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007809836	1	34	-2.0	-96.43	310.86	3.70	-92.73
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CO1	REAL300007810031	1	27	-2.0	-121.84	267.68	1.84	-120.00
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CO1	REAL300007810070	0	34	-2.0	-133.88	319.04	4.73	-129.15
CCC1C2=C(CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)SC=C2	REAL300007810170	0	41	-2.0	-137.19	365.68	8.83	-128.36
CN(CCCOC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007810277	0	44	-2.0	-146.90	390.43	8.21	-138.69
CC(C)C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007810557	0	46	-2.0	-135.57	392.54	8.96	-126.61
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007810561	1	40	-2.0	-95.96	365.08	6.40	-89.56
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007810956	0	38	-2.0	-134.49	328.60	5.03	-129.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007811060	0	41	-2.0	-136.02	355.46	9.09	-126.93
CCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007811184	0	34	-2.0	-134.86	306.96	6.25	-128.61
CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007811340	0	40	-2.0	-138.46	340.07	7.22	-131.24
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC2)C=C1C(=O)[O-]	REAL300007811393	0	34	-2.0	-133.97	309.85	5.11	-128.86
CC(C)N(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007811476	0	40	-2.0	-139.15	343.64	7.63	-131.52
CC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007811540	0	39	-2.0	-134.12	338.34	5.47	-128.65
CC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007811542	1	33	-2.0	-94.85	308.89	2.77	-92.08
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CCCCC12	REAL300007811642	0	47	-2.0	-137.56	367.11	8.66	-128.90
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300007811749	0	43	-2.0	-139.19	389.12	9.07	-130.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC3=CC=CC=C3C=C2)=C1	REAL300007811753	1	37	-2.0	-97.86	359.68	6.39	-91.47
CCC1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007811864	0	43	-2.0	-136.32	353.74	7.05	-129.27
CCC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007811868	1	37	-2.0	-95.39	324.36	4.71	-90.68
CCC1CCC(N(C2CC2)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007811989	0	50	-2.0	-139.76	397.19	10.08	-129.68
CC1CCC(N(C2CC2)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007812096	0	47	-2.0	-142.50	348.49	8.20	-134.30
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300007812207	0	41	-2.0	-135.35	345.45	8.82	-126.53
CCCN(CC(F)(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007812313	0	36	-2.0	-140.02	331.75	6.62	-133.40
CCC1=NC(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=CS1	REAL300007812450	1	32	-2.0	-123.48	313.07	2.46	-121.02
CCC1=NC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007812494	0	39	-2.0	-134.03	365.51	5.23	-128.80
O=C([O-])C1=CC=C(S(=O)(=O)NC2CSC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007812704	0	36	-2.0	-135.31	344.04	6.81	-128.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CSC3=CC=CC=C32)=C1	REAL300007812708	1	30	-2.0	-95.66	310.06	4.34	-91.32
CC(C)C1=CC=CC=C1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007812807	1	41	-2.0	-99.95	380.58	4.99	-94.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCS(=O)(=O)C2)C=C1C(=O)[O-]	REAL300007812915	0	37	-2.0	-143.93	339.41	1.54	-142.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCS(=O)(=O)C2)=C1	REAL300007812919	1	31	-2.0	-97.67	308.37	-0.86	-98.53
C=CCN(CC1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007813115	0	47	-2.0	-137.88	387.33	9.42	-128.46
COCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007813235	0	41	-2.0	-134.64	354.38	5.71	-128.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCCC3)C2)C=C1C(=O)[O-]	REAL300007813372	0	47	-2.0	-136.01	371.61	8.80	-127.21
CC1CC2CCCCC2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007813491	0	44	-2.0	-136.24	359.28	8.09	-128.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C(F)C=C3C2)C=C1C(=O)[O-]	REAL300007813610	0	38	-2.0	-136.16	346.01	8.19	-127.97
CC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)C1	REAL300007813730	0	43	-2.0	-135.20	358.10	7.09	-128.11
CC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)C1	REAL300007813734	1	37	-2.0	-96.43	330.51	4.40	-92.03
CC(C)(C)S(=O)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007813844	0	41	-2.0	-139.44	372.14	3.60	-135.84
CC(C)(C)S(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007813848	1	35	-2.0	-103.47	342.69	0.92	-102.55
CC(CS(C)(=O)=O)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007814055	0	39	-2.0	-149.78	357.10	3.58	-146.20
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC(F)=C2F)C=C1C(=O)[O-]	REAL300007814171	0	37	-2.0	-135.38	354.76	6.91	-128.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC(F)=C2F)=C1	REAL300007814175	1	31	-2.0	-99.64	325.32	4.21	-95.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3CC2)C=C1C(=O)[O-]	REAL300007814291	0	41	-2.0	-135.52	354.30	8.88	-126.64
COC1=CC=C(Cl)C=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007814389	1	35	-2.0	-98.49	358.61	4.00	-94.49
COC1=CC(F)=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1OC	REAL300007814440	1	38	-2.0	-119.31	349.31	3.14	-116.17
CC1=CSC(C2([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])CCCC2)=N1	REAL300007814512	1	36	-2.0	-122.74	325.23	4.06	-118.68
CC1=CSC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCCC2)=N1	REAL300007814541	1	37	-2.0	-101.63	346.63	4.55	-97.08
COC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007814596	0	32	-2.0	-136.62	303.25	3.19	-133.43
CC1(C)CC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007814651	0	37	-2.0	-134.56	333.31	5.72	-128.84
CC1(C)CC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007814653	1	31	-2.0	-95.40	303.85	3.03	-92.37
CCN(C(C)CS(C)(=O)=O)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007814856	0	42	-2.0	-151.33	371.01	4.17	-147.16
COC1CCC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007815358	0	44	-2.0	-135.32	372.02	6.27	-129.05
COC1=CC=CC(Cl)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007815430	1	31	-2.0	-128.73	312.94	2.71	-126.02
COC1=CC=CC(Cl)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007815466	0	38	-2.0	-139.66	363.74	5.80	-133.86
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC2OC2=CC=CC=C2)=C1	REAL300007815550	1	42	-2.0	-101.81	376.16	5.51	-96.30
CCS(=O)(=O)CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007815646	0	42	-2.0	-149.61	378.57	4.46	-145.15
CC1OCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007815794	0	38	-2.0	-134.59	318.18	4.83	-129.76
CCOCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007815906	0	44	-2.0	-141.51	376.65	6.65	-134.86
CC(C(C)S(C)(=O)=O)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007816019	0	42	-2.0	-153.33	355.92	4.17	-149.16
CN(CCNS(C)(=O)=O)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007816141	0	38	-2.0	-155.79	357.59	0.99	-154.80
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2CCCCCC2)C=C1C(=O)[O-]	REAL300007816257	0	47	-2.0	-138.78	390.02	6.20	-132.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2CCCCCC2)=C1	REAL300007816261	1	41	-2.0	-97.46	360.79	3.48	-93.98
CC(CS(C)(=O)=O)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007816374	0	36	-2.0	-155.80	342.58	1.46	-154.34
CC(CS(C)(=O)=O)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007816378	1	30	-2.0	-107.87	310.15	-1.00	-108.87
CCS(=O)(=O)CC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007816490	0	39	-2.0	-146.99	361.14	2.36	-144.63
CCS(=O)(=O)CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007816494	1	33	-2.0	-110.00	331.17	-0.04	-110.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2OCC2CC2)=C1	REAL300007816680	1	39	-2.0	-103.76	374.04	5.18	-98.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(F)C=C2Cl)=C1	REAL300007816771	1	31	-2.0	-93.82	333.73	4.60	-89.22
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1(C)C	REAL300007817045	0	43	-2.0	-134.61	350.52	7.54	-127.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC3(CCOCC3)C2)C=C1C(=O)[O-]	REAL300007817150	0	46	-2.0	-138.04	368.79	4.99	-133.05
O=C([O-])C1=CC=C(S(=O)(=O)NC2COC3=CC(F)=CC(F)=C32)C=C1C(=O)[O-]	REAL300007817259	0	36	-2.0	-133.08	348.57	5.27	-127.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2COC3=CC(F)=CC(F)=C32)=C1	REAL300007817263	1	30	-2.0	-92.82	314.23	2.75	-90.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(Cl)=CC3=C2OCC3)=C1	REAL300007817352	1	33	-2.0	-100.91	344.57	3.69	-97.22
CCOC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1OC	REAL300007817507	0	42	-2.0	-136.84	376.65	3.43	-133.41
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1OC	REAL300007817511	1	36	-2.0	-95.78	345.51	0.91	-94.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC2(F)F)C=C1C(=O)[O-]	REAL300007817595	0	31	-2.0	-134.66	305.13	4.75	-129.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC2(F)F)=C1	REAL300007817598	0	25	-2.0	-94.75	275.87	2.06	-92.69
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC12CCCCC2	REAL300007817694	0	50	-2.0	-135.09	381.68	9.20	-125.89
CC1=CC=C(C(CC(F)(F)F)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007817747	1	36	-2.0	-121.03	343.86	5.81	-115.22
CC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC(Cl)=C1F	REAL300007818050	1	33	-2.0	-115.65	315.07	5.01	-110.64
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCCC1	REAL300007818176	0	44	-2.0	-133.74	366.02	5.32	-128.42
COC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCC1	REAL300007818180	1	38	-2.0	-97.42	338.42	2.66	-94.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3(CC3)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007818291	0	39	-2.0	-138.72	351.85	9.26	-129.46
CC1(C2=CC=CC=C2)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007818399	0	44	-2.0	-137.80	382.44	8.22	-129.58
CC1(C2=CC=CC=C2)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007818403	1	38	-2.0	-95.29	352.48	6.17	-89.12
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1(C2=CC=CC=C2)CCCC1	REAL300007818487	1	44	-2.0	-99.00	372.92	7.05	-91.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(CC3=CC=CC(F)=C3)CCC2)=C1	REAL300007818567	1	38	-2.0	-95.86	350.45	5.87	-89.99
CC(C)C1(C)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007818746	0	46	-2.0	-138.15	363.18	7.73	-130.42
CCN(C(C)CC1=CSC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007818856	0	43	-2.0	-136.91	381.54	8.60	-128.31
CCOC1CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007819108	0	44	-2.0	-138.96	386.50	5.83	-133.13
CCOC1CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007819112	1	38	-2.0	-96.15	357.12	3.13	-93.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC=CC(F)=C3C2)C=C1C(=O)[O-]	REAL300007819271	0	39	-2.0	-140.73	353.21	7.35	-133.38
CC(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC(C)(C)C	REAL300007819385	0	48	-2.0	-134.26	390.15	7.33	-126.93
CC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC(C)(C)C	REAL300007819389	1	42	-2.0	-95.00	361.62	4.65	-90.35
C[C@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300007819457	1	33	-2.0	-127.18	314.78	4.29	-122.89
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC2=CC=CC=C2O1	REAL300007819500	0	40	-2.0	-136.17	368.04	7.19	-128.98
CC1(C)C(C(F)(F)F)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007819612	0	40	-2.0	-132.56	344.16	7.06	-125.50
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC1=CC=CC=C1	REAL300007819710	1	43	-2.0	-95.28	380.79	7.00	-88.28
CCC1(CC)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007819834	0	49	-2.0	-135.20	371.52	8.94	-126.26
CC1=C([C@@H](C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])OC2=CC=CC=C12	REAL300007819996	1	36	-2.0	-130.29	334.47	4.85	-125.44
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300007820132	0	42	-2.0	-139.27	378.91	6.66	-132.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C3OCCC3=C2)=C1	REAL300007820136	1	36	-2.0	-96.06	349.46	3.97	-92.09
CC1=C([C@H](C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])OC2=CC=CC=C12	REAL300007820201	1	36	-2.0	-128.47	334.48	4.90	-123.57
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3(CCC3)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007820335	0	42	-2.0	-135.72	363.88	9.56	-126.16
CC1CCSCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007820548	0	38	-2.0	-135.80	322.99	7.04	-128.76
CC(C)OC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007820675	0	44	-2.0	-133.93	386.32	8.33	-125.60
CC(C)N(CC1CCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007820794	0	43	-2.0	-136.85	353.61	7.80	-129.05
CC1(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007820865	0	37	-2.0	-135.07	331.04	5.69	-129.38
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007820867	1	31	-2.0	-94.60	301.61	3.01	-91.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCOCC3)C2)C=C1C(=O)[O-]	REAL300007820966	0	45	-2.0	-136.60	360.33	6.53	-130.07
COCCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007821167	0	41	-2.0	-140.17	349.20	4.69	-135.48
COCCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007821169	1	35	-2.0	-96.15	326.04	2.24	-93.91
COC1(C)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007821276	0	44	-2.0	-137.50	354.99	6.94	-130.56
CC1C(C)S(=O)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007821396	0	39	-2.0	-131.55	335.31	4.26	-127.29
CC1=CC=CC=C1C1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007821516	0	41	-2.0	-135.52	359.31	8.08	-127.44
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCOC2)C=C1C(=O)[O-]	REAL300007821634	0	45	-2.0	-143.51	363.76	6.38	-137.13
CN(CCCCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007821822	0	46	-2.0	-142.59	403.45	10.18	-132.41
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(C3=CC=CC=C3)=NO2)=C1	REAL300007822086	1	34	-2.0	-95.80	347.04	4.50	-91.30
COC1=CC(OC)=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC)=C1	REAL300007822141	1	39	-2.0	-135.17	356.50	0.96	-134.21
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3CCCCC32)C=C1C(=O)[O-]	REAL300007822322	0	42	-2.0	-134.78	341.30	5.99	-128.79
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC3=CC=CC=C3C=C2)C=C1C(=O)[O-]	REAL300007822439	0	40	-2.0	-137.80	367.62	8.28	-129.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC3=CC=CC=C3C=C2)=C1	REAL300007822443	1	34	-2.0	-98.83	338.18	5.59	-93.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2COC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007822554	0	39	-2.0	-138.69	349.66	5.78	-132.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2COC3=CC=CC=C3C2)=C1	REAL300007822558	1	33	-2.0	-95.91	318.97	3.38	-92.53
CCC1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007822659	0	38	-2.0	-136.47	318.53	4.66	-131.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CCCCC2)=C1	REAL300007822741	1	44	-2.0	-96.99	381.54	7.48	-89.51
CCCOCC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007822867	1	40	-2.0	-124.34	360.04	4.40	-119.94
CC1=NOC(C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007823025	0	40	-2.0	-148.29	354.36	6.86	-141.43
CC1=CC=C(SCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007823136	0	41	-2.0	-138.84	383.21	7.94	-130.90
CC1=CC=C(SCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007823140	1	35	-2.0	-94.77	353.77	5.26	-89.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCOCC2)C=C1C(=O)[O-]	REAL300007823207	0	35	-2.0	-135.15	308.55	4.44	-130.71
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC=C1	REAL300007823310	0	41	-2.0	-135.96	369.68	6.28	-129.68
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC1=CC=CC=C1	REAL300007823314	1	35	-2.0	-98.43	339.89	3.54	-94.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300007823497	0	37	-2.0	-134.30	337.94	6.93	-127.37
CC(CC1=CC=CC=C1Cl)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007823606	0	40	-2.0	-143.26	371.96	7.68	-135.58
CC(CC1=CC=CC=C1Cl)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007823610	1	34	-2.0	-97.86	337.54	5.97	-91.89
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300007824013	0	41	-2.0	-134.99	367.04	7.95	-127.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C3CCCC3=C2)=C1	REAL300007824017	1	35	-2.0	-98.44	337.58	5.24	-93.20
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300007824202	0	37	-2.0	-136.29	349.39	6.55	-129.74
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC3=CC=CC=C3O2)=C1	REAL300007824206	1	31	-2.0	-98.98	319.95	3.85	-95.13
O=C([O-])C1=CC=C(S(=O)(=O)NCC2COCCO2)C=C1C(=O)[O-]	REAL300007824348	0	36	-2.0	-137.70	327.42	2.27	-135.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2COCCO2)=C1	REAL300007824352	1	30	-2.0	-96.53	298.20	-0.44	-96.97
CC(C)C1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007824495	1	41	-2.0	-97.92	382.16	4.90	-93.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C3OCOC3=C2)=C1	REAL300007824582	1	35	-2.0	-98.56	348.04	1.62	-96.94
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOCC(F)(F)F)C=C1C(=O)[O-]	REAL300007824690	0	37	-2.0	-137.09	358.21	4.30	-132.79
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCC(F)(F)F)=C1	REAL300007824694	1	31	-2.0	-94.06	328.75	1.61	-92.45
CC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC=CS1	REAL300007824762	1	29	-2.0	-114.55	286.12	1.68	-112.87
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC=CS1	REAL300007824808	0	36	-2.0	-132.61	329.46	3.97	-128.64
CC1=CSC(C(C)(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007824882	1	32	-2.0	-124.84	306.78	2.09	-122.75
CC1=CSC(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007824926	0	39	-2.0	-136.20	351.25	4.76	-131.44
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(Cl)S2)C=C1C(=O)[O-]	REAL300007825046	0	34	-2.0	-136.78	350.30	6.54	-130.24
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(Cl)S2)=C1	REAL300007825050	1	28	-2.0	-91.54	320.84	3.84	-87.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(CCCCC3)C2)C=C1C(=O)[O-]	REAL300007825183	0	45	-2.0	-134.15	368.22	7.05	-127.10
CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007825298	0	43	-2.0	-136.60	382.10	9.51	-127.09
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CSC3=CC=CC=C23)=C1	REAL300007825401	1	34	-2.0	-97.26	349.92	5.48	-91.78
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCCC1	REAL300007825533	0	40	-2.0	-136.33	324.20	6.02	-130.31
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCC1	REAL300007825536	1	34	-2.0	-94.41	301.85	4.08	-90.33
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007825602	0	37	-2.0	-137.75	309.25	5.24	-132.51
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007825604	1	31	-2.0	-94.87	287.15	3.26	-91.61
CC(O)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(F)C=C1F	REAL300007825675	1	35	-2.0	-97.54	345.46	1.65	-95.89
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC3=CC=CC=C3N2)C=C1C(=O)[O-]	REAL300007825773	0	41	-2.0	-137.90	374.90	6.74	-131.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC3=CC=CC=C3N2)=C1	REAL300007825777	1	35	-2.0	-95.77	345.46	4.05	-91.72
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007825806	0	40	-2.0	-142.46	363.64	0.16	-142.30
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C)=N1	REAL300007825807	0	40	-2.0	-116.35	372.23	1.50	-114.85
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=NOC(C)=N1	REAL300007825810	0	40	-2.0	-116.35	372.23	1.50	-114.85
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NOC(C)=N1	REAL300007825812	0	40	-2.0	-114.46	367.59	1.51	-112.95
COC1=CC=CC=C1C([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C1=NOC(C)=N1	REAL300007825815	1	46	-2.0	-124.12	397.55	3.01	-121.11
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NOC(C)=N1	REAL300007825816	0	40	-2.0	-134.00	357.22	2.00	-132.00
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007825818	0	40	-2.0	-142.46	363.64	0.16	-142.30
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007825819	0	40	-2.0	-111.15	366.06	-0.34	-111.49
COC1=CC=CC=C1C([N-]S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=NOC(C)=N1	REAL300007825822	1	43	-2.0	-118.01	383.84	2.45	-115.56
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300007825823	0	40	-2.0	-111.15	366.06	-0.34	-111.49
COC1=CC=CC=C1C([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=NOC(C)=N1	REAL300007825825	0	40	-2.0	-142.46	363.64	0.16	-142.30
COC1=CC=CC=C1C([N-]S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NOC(C)=N1	REAL300007825826	1	43	-2.0	-135.29	362.91	3.15	-132.14
CCN1C=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300007826001	0	40	-2.0	-141.50	364.11	6.63	-134.87
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007826167	0	37	-2.0	-133.43	333.24	6.06	-127.37
CC1=NOC(C)=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007826231	1	32	-2.0	-107.62	297.28	2.68	-104.94
CC1=NOC(C)=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007826275	0	39	-2.0	-132.31	354.03	5.60	-126.71
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NOC=C2)C=C1C(=O)[O-]	REAL300007826346	0	30	-2.0	-136.10	296.51	3.34	-132.76
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NOC=C2)=C1	REAL300007826348	1	24	-2.0	-99.02	267.06	0.65	-98.37
CCC1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007826444	0	44	-2.0	-137.87	357.55	8.80	-129.07
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007826560	0	40	-2.0	-139.51	365.93	7.08	-132.43
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CS1	REAL300007826564	1	34	-2.0	-96.26	339.11	4.45	-91.81
CC(C)(C)C1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007826676	0	49	-2.0	-142.05	380.45	8.74	-133.31
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007826720	1	33	-2.0	-121.04	305.96	1.17	-119.87
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007826725	1	33	-2.0	-97.35	314.61	2.50	-94.85
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007826731	1	33	-2.0	-97.35	314.61	2.50	-94.85
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300007826744	1	33	-2.0	-97.98	314.85	2.24	-95.74
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007826748	0	32	-2.0	-116.53	308.17	2.39	-114.14
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007826749	1	32	-2.0	-120.83	310.34	1.87	-118.96
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007826775	1	38	-2.0	-114.40	348.41	5.78	-108.62
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007826777	1	38	-2.0	-108.12	348.46	5.73	-102.39
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300007826789	1	33	-2.0	-120.75	307.06	3.00	-117.75
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007826792	1	33	-2.0	-121.04	305.96	1.17	-119.87
CC(C)C1=NOC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007826794	0	39	-2.0	-133.00	358.99	5.49	-127.51
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007826798	1	33	-2.0	-93.56	329.54	2.79	-90.77
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007826810	1	39	-2.0	-98.61	355.61	5.81	-92.80
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007826819	1	33	-2.0	-121.04	305.96	1.17	-119.87
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007826820	1	33	-2.0	-109.99	330.75	4.56	-105.43
CC(C)C1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007826914	0	46	-2.0	-134.51	370.38	8.26	-126.25
CC(C)=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007826997	0	34	-2.0	-134.45	313.57	5.00	-129.45
CC1(C)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007827080	0	40	-2.0	-134.55	336.91	7.20	-127.35
CC1=CC=CC(C)=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007827186	0	43	-2.0	-136.84	376.08	7.83	-129.01
CC1=CC=CC(C)=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007827190	1	37	-2.0	-97.04	346.66	5.16	-91.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCCC2C2=CC=CO2)C=C1C(=O)[O-]	REAL300007827298	0	44	-2.0	-138.69	366.92	9.24	-129.45
COC1=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300007827408	0	44	-2.0	-136.98	392.61	6.86	-130.12
COC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC=C1C	REAL300007827412	1	38	-2.0	-96.17	363.15	4.17	-92.00
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CSCCS2)C=C1C(=O)[O-]	REAL300007827522	0	36	-2.0	-137.27	344.81	5.95	-131.32
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CSCCS2)=C1	REAL300007827526	1	30	-2.0	-95.15	316.42	3.29	-91.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(Cl)=CC=C3C2)C=C1C(=O)[O-]	REAL300007827720	0	38	-2.0	-134.29	355.93	8.65	-125.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(F)=CC=C3C2)C=C1C(=O)[O-]	REAL300007827833	0	38	-2.0	-134.55	345.60	8.19	-126.36
CC(C)C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007827953	0	43	-2.0	-136.04	338.76	7.49	-128.55
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1C(=O)[O-]	REAL300007828059	0	37	-2.0	-133.56	345.90	8.52	-125.04
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)=C1	REAL300007828084	0	37	-2.0	-93.71	342.58	6.70	-87.01
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828085	0	37	-2.0	-106.78	342.62	6.69	-100.09
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(F)(F)F)=C1	REAL300007828086	0	40	-2.0	-106.45	358.01	7.49	-98.96
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828087	0	40	-2.0	-106.49	358.68	7.23	-99.26
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(F)(F)F)=C1	REAL300007828088	0	34	-2.0	-120.77	325.25	6.34	-114.43
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828089	0	37	-2.0	-106.78	342.62	6.69	-100.09
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)=C1	REAL300007828090	0	37	-2.0	-93.71	342.58	6.70	-87.01
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828091	0	37	-2.0	-131.73	339.04	7.09	-124.64
CC1=CC=CC(C([N-]S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828092	0	35	-2.0	-102.31	331.14	4.43	-97.88
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(F)(F)F)=C1	REAL300007828093	0	37	-2.0	-99.24	347.18	4.83	-94.41
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)(F)F)=C1	REAL300007828094	0	34	-2.0	-95.56	334.85	5.81	-89.75
CC1=CC=CC(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828095	0	34	-2.0	-123.74	319.95	3.66	-120.08
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828096	0	37	-2.0	-131.73	339.04	7.09	-124.64
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)=C1	REAL300007828097	0	34	-2.0	-100.99	327.34	5.05	-95.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C2=CC(C)=CC=C2)C(F)(F)F)O1	REAL300007828098	0	37	-2.0	-101.79	345.61	5.53	-96.26
CC1=CC=CC(C([N-]S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828099	0	40	-2.0	-104.11	375.00	7.24	-96.87
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)=C1	REAL300007828100	0	34	-2.0	-100.99	327.34	5.05	-95.94
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)(F)F)=C1	REAL300007828101	0	34	-2.0	-100.03	335.76	5.71	-94.32
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828102	0	40	-2.0	-133.55	360.01	7.84	-125.71
CC1=CC=CC(C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828103	0	34	-2.0	-101.19	334.28	5.73	-95.46
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(F)(F)F)=C1	REAL300007828104	0	40	-2.0	-103.35	356.41	7.44	-95.91
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(F)(F)F)=C1	REAL300007828105	0	40	-2.0	-97.11	364.77	7.47	-89.64
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(F)(F)F)=C1	REAL300007828106	0	34	-2.0	-99.05	327.58	4.80	-94.25
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828107	0	40	-2.0	-105.62	364.79	7.46	-98.16
CC1=C(S(=O)(=O)[N-]C(C2=CC(C)=CC=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007828108	0	37	-2.0	-99.86	345.58	5.82	-94.04
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828109	0	36	-2.0	-96.03	337.80	4.89	-91.14
CC1=CC=CC(C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828110	0	33	-2.0	-120.66	319.21	4.80	-115.86
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(F)(F)F)=C1	REAL300007828111	0	33	-2.0	-123.28	324.15	4.39	-118.89
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828112	0	36	-2.0	-126.76	325.77	5.64	-121.12
CC1=CC=CC(C([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)=C1	REAL300007828113	0	42	-2.0	-94.73	380.16	6.73	-88.00
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(F)(F)F)=C1	REAL300007828114	0	36	-2.0	-94.01	338.48	4.91	-89.10
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(F)(F)F)=C1	REAL300007828115	0	40	-2.0	-93.75	358.63	7.23	-86.52
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]C(C1=CC(C)=CC=C1)C(F)(F)F	REAL300007828116	0	37	-2.0	-121.77	343.27	7.30	-114.47
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828117	0	40	-2.0	-106.49	358.68	7.23	-99.26
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(F)(F)F)=C1	REAL300007828118	0	40	-2.0	-106.45	358.01	7.49	-98.96
CC1=CC=CC(C([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(F)(F)F)=C1	REAL300007828119	0	40	-2.0	-104.85	361.22	6.40	-98.45
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828120	0	40	-2.0	-105.62	364.79	7.46	-98.16
CCC1=C(S(=O)(=O)[N-]C(C2=CC=CC(C)=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007828121	1	40	-2.0	-99.70	361.34	6.67	-93.03
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828122	0	39	-2.0	-97.33	354.06	5.41	-91.92
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)=C1	REAL300007828123	0	37	-2.0	-116.43	336.85	5.06	-111.37
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(C2=CC(C)=CC=C2)C(F)(F)F)=C1	REAL300007828124	0	37	-2.0	-101.95	345.35	5.65	-96.30
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(F)(F)F)=C1	REAL300007828125	0	34	-2.0	-122.76	319.85	5.48	-117.28
CC1=CC=CC(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828126	0	34	-2.0	-123.74	319.95	3.66	-120.08
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)=C1	REAL300007828127	0	37	-2.0	-116.43	336.85	5.06	-111.37
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(F)(F)F)=C1	REAL300007828128	0	34	-2.0	-95.26	342.23	5.34	-89.92
CC1=CC=CC(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828129	0	34	-2.0	-96.33	326.06	2.94	-93.39
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(F)(F)F)=C1	REAL300007828130	0	37	-2.0	-101.28	344.09	4.44	-96.84
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(C2=CC(C)=CC=C2)C(F)(F)F)S1	REAL300007828131	0	37	-2.0	-101.76	352.65	6.37	-95.39
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(F)(F)F)=C1	REAL300007828132	0	40	-2.0	-118.78	345.68	7.74	-111.04
CC1=CC=CC(C([N-]S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(F)(F)F)=C1	REAL300007828133	0	37	-2.0	-99.72	347.76	5.86	-93.86
CC1=CC=CC(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)=C1	REAL300007828134	0	34	-2.0	-96.33	326.06	2.94	-93.39
CC1=CC=CC(C([N-]S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(F)(F)F)=C1	REAL300007828135	0	37	-2.0	-119.73	331.64	6.26	-113.47
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C(F)(F)F)=C1	REAL300007828136	0	39	-2.0	-95.05	355.31	5.44	-89.61
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(F)(F)F)=C1	REAL300007828137	0	40	-2.0	-118.78	345.68	7.74	-111.04
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(F)(F)F)=C1	REAL300007828138	0	36	-2.0	-117.45	325.23	5.60	-111.85
O=C([O-])C1=CC=C(S(=O)(=O)NCC(CCO)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007828218	0	44	-2.0	-139.83	389.16	4.64	-135.19
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(CCO)C2=CC=CC=C2)=C1	REAL300007828222	1	38	-2.0	-100.09	361.26	2.00	-98.09
COC1=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300007828325	0	41	-2.0	-138.13	378.76	6.18	-131.95
COC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC=C1F	REAL300007828329	1	35	-2.0	-93.40	349.30	3.49	-89.91
C=CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007828422	0	40	-2.0	-137.27	357.26	6.63	-130.64
C=CCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007828425	1	34	-2.0	-94.20	324.83	4.17	-90.03
CC1(C)CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007828532	0	43	-2.0	-138.13	354.43	6.38	-131.75
CC1(C)CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007828536	1	37	-2.0	-96.54	324.00	3.97	-92.57
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCC1	REAL300007828677	0	37	-2.0	-137.56	328.82	5.69	-131.87
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCC1	REAL300007828679	1	31	-2.0	-93.85	293.69	3.59	-90.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(Cl)C=CC=C32)C=C1C(=O)[O-]	REAL300007828773	0	35	-2.0	-135.14	336.27	8.44	-126.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=C(F)C=CC=C32)C=C1C(=O)[O-]	REAL300007828879	0	35	-2.0	-134.88	326.30	8.02	-126.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300007828977	0	35	-2.0	-141.51	336.60	8.46	-133.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=C(F)C=C32)C=C1C(=O)[O-]	REAL300007829081	0	35	-2.0	-143.07	326.29	8.01	-135.06
CC1(C)CC([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C21	REAL300007829217	1	37	-2.0	-128.94	334.61	5.22	-123.72
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300007829260	0	44	-2.0	-137.96	382.66	8.25	-129.71
CC1=NC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C)O1	REAL300007829539	0	39	-2.0	-141.92	361.06	2.91	-139.01
CC1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C(C)O1	REAL300007829543	1	33	-2.0	-99.37	331.61	0.22	-99.15
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C)O1	REAL300007829659	0	44	-2.0	-137.34	361.40	6.01	-131.33
CC(C)CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007829779	0	46	-2.0	-134.82	375.19	7.54	-127.28
CC(C)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007829783	1	40	-2.0	-96.70	348.66	4.97	-91.73
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007829843	0	34	-2.0	-135.97	297.94	4.76	-131.21
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC=CCC2)C=C1C(=O)[O-]	REAL300007829896	0	35	-2.0	-137.55	312.83	5.41	-132.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC=CCC2)=C1	REAL300007829898	1	29	-2.0	-96.30	282.66	2.99	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCCO3)CC2)C=C1C(=O)[O-]	REAL300007829997	0	45	-2.0	-141.34	375.78	6.87	-134.47
CN1C=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007830160	1	37	-2.0	-126.24	348.62	4.59	-121.65
CC1=CC=C2C(=C1)OC(C)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007830275	0	42	-2.0	-134.30	363.54	7.98	-126.32
CCC1(C)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007830387	0	43	-2.0	-135.47	351.10	7.67	-127.80
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CO1	REAL300007830421	1	39	-2.0	-114.02	349.97	2.60	-111.42
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CO1	REAL300007830423	1	32	-2.0	-121.50	304.57	3.04	-118.46
COCC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CO1	REAL300007830428	1	35	-2.0	-101.85	327.23	1.45	-100.40
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CO1	REAL300007830429	1	32	-2.0	-98.49	314.09	1.92	-96.57
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007830430	1	32	-2.0	-124.87	298.79	0.38	-124.49
COCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007830434	1	35	-2.0	-118.88	325.56	4.73	-114.15
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CO1	REAL300007830435	1	32	-2.0	-103.30	307.44	1.71	-101.59
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1=CC=CO1	REAL300007830436	0	35	-2.0	-105.78	325.68	2.17	-103.61
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CO1	REAL300007830441	1	32	-2.0	-103.30	307.44	1.71	-101.59
COCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC)C1=CC=CO1	REAL300007830443	1	39	-2.0	-101.52	361.61	4.59	-96.93
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CO1	REAL300007830444	1	32	-2.0	-104.54	315.86	2.34	-102.20
COCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830448	1	32	-2.0	-105.80	314.33	2.37	-103.43
COCC([N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007830449	1	38	-2.0	-116.80	347.51	5.22	-111.58
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C1=CC=CO1	REAL300007830451	1	38	-2.0	-131.84	350.23	5.61	-126.23
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1=CC=CO1	REAL300007830453	1	40	-2.0	-94.72	360.94	4.34	-90.38
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CO1	REAL300007830454	0	32	-2.0	-102.78	307.69	1.44	-101.34
COCC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830456	1	35	-2.0	-104.79	325.72	2.46	-102.33
COCC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830457	1	34	-2.0	-99.84	317.00	1.00	-98.84
COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CO1	REAL300007830458	0	31	-2.0	-122.82	300.99	1.58	-121.24
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CO1	REAL300007830459	0	31	-2.0	-126.45	303.40	0.50	-125.95
COCC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CO1	REAL300007830460	1	34	-2.0	-127.94	306.23	2.36	-125.58
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CO1	REAL300007830462	1	34	-2.0	-97.43	318.53	1.54	-95.89
COCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830463	1	35	-2.0	-101.77	338.55	3.30	-98.47
COCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830469	1	35	-2.0	-101.77	338.55	3.30	-98.47
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C1=CC=CO1	REAL300007830470	1	35	-2.0	-122.97	322.50	3.79	-119.18
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C1=CC=CO1	REAL300007830471	1	38	-2.0	-103.85	352.11	4.54	-99.31
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CO1	REAL300007830474	1	39	-2.0	-114.02	349.97	2.60	-111.42
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=CO1	REAL300007830477	1	39	-2.0	-98.77	355.32	3.62	-95.15
COCC([N-]S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)C1=CC=CO1	REAL300007830480	1	36	-2.0	-104.57	345.18	1.79	-102.78
COCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=CO1	REAL300007830485	1	37	-2.0	-112.83	337.24	4.78	-108.05
COCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007830487	0	37	-2.0	-111.75	337.18	4.80	-106.95
COCC([N-]S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830488	1	37	-2.0	-101.50	336.93	1.59	-99.91
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C1=CC=CO1	REAL300007830489	1	39	-2.0	-100.35	350.03	2.58	-97.77
COCC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=CO1	REAL300007830492	1	38	-2.0	-100.10	350.26	4.13	-95.97
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C1=CC=CO1	REAL300007830493	1	38	-2.0	-99.70	360.87	3.79	-95.91
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CO1	REAL300007830495	1	35	-2.0	-117.57	316.95	1.59	-115.98
COCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=CC=CO1	REAL300007830497	1	35	-2.0	-105.59	325.41	2.29	-103.30
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CO1	REAL300007830499	0	32	-2.0	-124.38	299.89	2.18	-122.20
COCC([N-]S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007830501	1	39	-2.0	-126.47	338.22	3.52	-122.95
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007830502	1	32	-2.0	-124.87	298.79	0.38	-124.49
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CO1	REAL300007830503	1	35	-2.0	-117.57	316.95	1.59	-115.98
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830504	0	38	-2.0	-136.02	355.60	4.03	-131.99
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CO1	REAL300007830506	1	34	-2.0	-107.76	318.89	1.46	-106.30
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CO1	REAL300007830508	0	32	-2.0	-98.33	321.49	1.45	-96.88
COCC([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830512	1	34	-2.0	-106.33	317.90	1.03	-105.30
COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830513	1	32	-2.0	-99.99	306.16	-0.42	-100.41
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CO1	REAL300007830514	1	35	-2.0	-105.14	324.18	1.08	-104.06
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1=CC=CO1	REAL300007830518	1	35	-2.0	-106.53	332.74	3.01	-103.52
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C1=CC=CO1	REAL300007830520	1	38	-2.0	-101.45	347.59	4.42	-97.03
COCC([N-]S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=CO1	REAL300007830522	1	35	-2.0	-92.71	351.56	3.37	-89.34
COCC([N-]S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=CO1	REAL300007830523	1	38	-2.0	-126.51	349.02	1.94	-124.57
COCC([N-]S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=CO1	REAL300007830524	1	38	-2.0	-100.45	349.28	4.57	-95.88
COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CO1	REAL300007830527	1	32	-2.0	-99.99	306.16	-0.42	-100.41
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CO1	REAL300007830529	1	32	-2.0	-124.87	298.79	0.38	-124.49
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=CO1	REAL300007830530	0	32	-2.0	-116.46	323.54	3.74	-112.72
COCC([N-]S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1=CC=CO1	REAL300007830532	1	37	-2.0	-98.52	334.51	1.55	-96.97
COCC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CO1	REAL300007830536	1	34	-2.0	-117.86	304.73	2.37	-115.49
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(C)O1	REAL300007830543	1	35	-2.0	-123.70	326.83	3.38	-120.32
COCC([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C(C)O1	REAL300007830548	1	38	-2.0	-102.82	348.31	1.74	-101.08
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(C)O1	REAL300007830549	1	35	-2.0	-99.92	336.02	2.74	-97.18
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830550	1	35	-2.0	-126.87	319.87	0.66	-126.21
COCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830554	1	38	-2.0	-121.13	347.68	5.46	-115.67
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C)O1	REAL300007830555	1	35	-2.0	-105.44	328.52	1.99	-103.45
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1=CC=C(C)O1	REAL300007830556	1	38	-2.0	-106.15	346.74	2.45	-103.70
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(C)O1	REAL300007830562	1	35	-2.0	-105.44	328.52	1.99	-103.45
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(C)O1	REAL300007830565	1	35	-2.0	-104.65	336.94	2.64	-102.01
COCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830569	1	35	-2.0	-105.77	335.41	2.65	-103.12
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C1=CC=C(C)O1	REAL300007830571	1	41	-2.0	-134.48	371.29	5.95	-128.53
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830573	1	43	-2.0	-96.65	382.00	4.64	-92.01
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C(C)O1	REAL300007830574	1	35	-2.0	-103.91	328.77	1.73	-102.18
COCC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830576	1	38	-2.0	-103.53	346.79	2.75	-100.78
COCC([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830577	1	37	-2.0	-100.69	338.91	1.82	-98.87
COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830578	0	34	-2.0	-123.58	320.77	1.94	-121.64
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C(C)O1	REAL300007830579	0	34	-2.0	-127.17	324.22	1.35	-125.82
COCC([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830580	1	37	-2.0	-132.92	330.97	2.76	-130.16
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C1=CC=C(C)O1	REAL300007830590	1	38	-2.0	-125.02	344.42	4.19	-120.83
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=C(C)O1	REAL300007830597	1	42	-2.0	-99.25	376.35	3.99	-95.26
COCC([N-]S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1)C1=CC=C(C)O1	REAL300007830600	1	39	-2.0	-105.46	366.26	2.08	-103.38
COCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830604	1	40	-2.0	-114.84	359.16	5.60	-109.24
COCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830606	1	40	-2.0	-113.78	359.11	5.62	-108.16
COCC([N-]S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830607	1	40	-2.0	-102.74	355.20	2.33	-100.41
COCC([N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=C(C)O1	REAL300007830611	1	41	-2.0	-100.24	371.32	4.43	-95.81
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(C)O1	REAL300007830613	1	38	-2.0	-119.42	338.05	2.02	-117.40
COCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=CC=C(C)O1	REAL300007830615	1	38	-2.0	-107.75	346.47	2.59	-105.16
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=C(C)O1	REAL300007830617	1	35	-2.0	-126.40	320.98	2.46	-123.94
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830620	1	35	-2.0	-126.87	319.87	0.66	-126.21
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(C)O1	REAL300007830621	1	38	-2.0	-119.42	338.05	2.02	-117.40
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830622	0	41	-2.0	-134.13	375.57	4.76	-129.37
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(C)O1	REAL300007830624	1	37	-2.0	-108.52	339.98	1.73	-106.79
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(C)O1	REAL300007830626	0	35	-2.0	-99.75	343.42	2.27	-97.48
COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830631	1	35	-2.0	-100.74	327.24	-0.13	-100.87
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1=CC=C(C)O1	REAL300007830636	1	38	-2.0	-106.56	353.84	3.30	-103.26
COCC([N-]S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=C(C)O1	REAL300007830639	1	41	-2.0	-128.06	370.09	2.25	-125.81
COCC([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300007830643	1	35	-2.0	-100.74	327.24	-0.13	-100.87
COCC([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830645	1	35	-2.0	-126.87	319.87	0.66	-126.21
COCC([N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=C(C)O1	REAL300007830646	0	35	-2.0	-116.93	343.84	3.99	-112.94
COCC([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C(C)O1	REAL300007830652	1	37	-2.0	-120.01	326.82	3.10	-116.91
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)O1	REAL300007830659	1	38	-2.0	-126.53	349.08	4.17	-122.36
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)O1	REAL300007830664	1	41	-2.0	-102.78	369.77	2.53	-100.25
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300007830665	1	38	-2.0	-99.85	357.48	3.53	-96.32
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])O1	REAL300007830666	1	38	-2.0	-127.63	341.36	1.45	-126.18
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])O1	REAL300007830670	1	41	-2.0	-121.99	369.17	6.24	-115.75
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)O1	REAL300007830671	1	38	-2.0	-104.83	349.97	2.77	-102.06
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)O1	REAL300007830672	1	41	-2.0	-106.80	368.23	3.23	-103.57
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)O1	REAL300007830678	1	38	-2.0	-104.83	349.97	2.77	-102.06
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300007830681	1	38	-2.0	-105.24	358.43	3.42	-101.82
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300007830685	1	38	-2.0	-106.75	356.87	3.43	-103.32
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)O1	REAL300007830688	1	38	-2.0	-104.53	350.22	2.52	-102.01
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300007830690	1	41	-2.0	-104.97	368.25	3.53	-101.44
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)O1	REAL300007830691	1	40	-2.0	-101.94	360.42	2.60	-99.34
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])O1	REAL300007830692	0	37	-2.0	-124.45	342.25	2.72	-121.73
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)O1	REAL300007830693	0	37	-2.0	-127.21	345.67	2.09	-125.12
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])O1	REAL300007830694	1	40	-2.0	-130.70	349.61	3.97	-126.73
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)O1	REAL300007830696	1	40	-2.0	-98.62	361.07	2.62	-96.00
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300007830697	1	41	-2.0	-103.19	381.98	4.91	-98.28
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300007830702	1	41	-2.0	-103.19	381.98	4.91	-98.28
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)O1	REAL300007830703	1	41	-2.0	-125.56	365.91	4.97	-120.59
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)O1	REAL300007830710	1	42	-2.0	-105.84	387.72	2.86	-102.98
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)O1	REAL300007830713	1	44	-2.0	-104.66	387.34	4.50	-100.16
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300007830714	1	43	-2.0	-115.68	380.65	6.39	-109.29
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])O1	REAL300007830715	1	43	-2.0	-114.69	380.60	6.40	-108.29
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)O1	REAL300007830716	1	43	-2.0	-103.30	376.68	3.11	-100.19
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)O1	REAL300007830720	1	44	-2.0	-100.83	392.83	5.22	-95.61
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)O1	REAL300007830722	1	41	-2.0	-119.57	359.50	2.85	-116.72
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)O1	REAL300007830723	1	41	-2.0	-107.12	367.92	3.37	-103.75
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)O1	REAL300007830725	1	38	-2.0	-127.15	342.46	3.24	-123.91
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])O1	REAL300007830728	1	38	-2.0	-127.63	341.36	1.45	-126.18
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)O1	REAL300007830729	1	41	-2.0	-119.57	359.50	2.85	-116.72
CCC1=CC=C(C(COC)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007830730	0	44	-2.0	-132.64	395.20	5.48	-127.16
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)O1	REAL300007830732	1	40	-2.0	-109.15	361.45	2.51	-106.64
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)O1	REAL300007830734	0	38	-2.0	-100.23	364.88	3.06	-97.17
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)O1	REAL300007830738	1	38	-2.0	-101.19	348.70	0.65	-100.54
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)O1	REAL300007830739	1	41	-2.0	-107.93	368.10	2.08	-105.85
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)O1	REAL300007830742	1	41	-2.0	-107.40	375.29	4.08	-103.32
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)O1	REAL300007830744	1	44	-2.0	-128.66	391.57	3.03	-125.63
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)O1	REAL300007830745	1	44	-2.0	-101.57	391.81	5.64	-95.93
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)O1	REAL300007830748	1	38	-2.0	-101.19	348.70	0.65	-100.54
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])O1	REAL300007830750	1	38	-2.0	-127.63	341.36	1.45	-126.18
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)O1	REAL300007830751	0	38	-2.0	-117.75	365.32	4.78	-112.97
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])O1	REAL300007830757	1	40	-2.0	-123.35	351.18	3.50	-119.85
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCC1	REAL300007830844	0	46	-2.0	-139.88	388.10	8.09	-131.79
CCCCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCC1	REAL300007830848	1	40	-2.0	-96.84	354.48	5.57	-91.27
CC1(C)CCC2=CC=CC=C2C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300007830993	1	43	-2.0	-120.11	346.95	7.44	-112.67
CC1=C2N=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)OC2=CC=C1	REAL300007831100	1	36	-2.0	-100.66	357.33	1.74	-98.92
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC2=CC=C(Cl)S2)=C1	REAL300007831181	1	34	-2.0	-92.95	363.83	5.41	-87.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2CN2C=NC=N2)=C1	REAL300007831254	1	37	-2.0	-104.47	362.32	6.53	-97.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007831352	0	44	-2.0	-137.65	385.74	8.53	-129.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC(C3=CC=CC=C3)C2)=C1	REAL300007831356	1	38	-2.0	-96.79	357.29	5.91	-90.88
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007831479	0	38	-2.0	-135.38	350.36	7.40	-127.98
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300007831483	1	32	-2.0	-96.49	320.12	4.80	-91.69
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3C=CC2CC3)C=C1C(=O)[O-]	REAL300007831746	0	42	-2.0	-134.16	354.61	7.03	-127.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3C=CC2CC3)=C1	REAL300007831750	1	36	-2.0	-96.31	325.21	4.32	-91.99
C=CCN1C=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])N=N1	REAL300007831817	1	30	-2.0	-122.13	301.79	0.84	-121.29
C=CCN1C=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)N=N1	REAL300007831818	1	30	-2.0	-134.17	305.05	0.28	-133.89
C=CCN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300007831863	0	37	-2.0	-137.68	352.56	3.92	-133.76
C=CCN1C=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)N=N1	REAL300007831867	1	31	-2.0	-101.50	323.13	1.23	-100.27
C=CCN1C=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)N=N1	REAL300007831889	1	31	-2.0	-116.09	324.35	3.00	-113.09
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C=C1C(=O)[O-]	REAL300007831983	0	44	-2.0	-137.33	371.14	7.53	-129.80
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)=C1	REAL300007831987	1	38	-2.0	-96.67	340.72	5.14	-91.53
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]2C2CCC2)C=C1C(=O)[O-]	REAL300007832097	0	41	-2.0	-134.83	362.74	7.34	-127.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)=C1	REAL300007832101	1	35	-2.0	-95.22	334.07	4.68	-90.54
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007832212	0	39	-2.0	-134.69	351.64	4.42	-130.27
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007832216	1	33	-2.0	-93.71	321.86	1.74	-91.97
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007832279	1	33	-2.0	-102.51	316.57	0.39	-102.12
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007832283	0	32	-2.0	-122.16	311.07	0.57	-121.59
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007832284	1	32	-2.0	-129.05	314.32	0.02	-129.03
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007832324	1	33	-2.0	-125.92	308.77	1.13	-124.79
CCN1N=C(C)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007832329	0	39	-2.0	-135.99	360.66	3.61	-132.38
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007832333	1	33	-2.0	-98.24	332.40	0.97	-97.27
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007832355	1	33	-2.0	-115.75	333.61	2.74	-113.01
CON(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007832482	0	38	-2.0	-132.35	348.27	7.89	-124.46
CN(OCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007832598	0	38	-2.0	-139.61	352.88	7.97	-131.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)[O-]	REAL300007832659	0	34	-2.0	-136.64	301.07	6.02	-130.62
CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007832772	0	45	-2.0	-136.00	369.73	8.53	-127.47
CC1CC2=CC=CC=C2N1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007832885	0	38	-2.0	-139.33	335.73	8.75	-130.58
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007832991	0	38	-2.0	-135.57	328.31	8.38	-127.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300007833100	0	37	-2.0	-136.12	347.59	4.70	-131.42
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C3OCOC3=C2)=C1	REAL300007833104	1	31	-2.0	-95.22	318.14	1.99	-93.23
CCCCC(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007833220	0	45	-2.0	-134.28	377.67	7.19	-127.09
CCCCC(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007833224	1	39	-2.0	-93.52	350.84	5.22	-88.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1C(=O)[O-]	REAL300007833291	0	37	-2.0	-134.51	315.38	6.92	-127.59
CN1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007833348	0	36	-2.0	-135.65	317.35	3.50	-132.15
COCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007833389	0	31	-2.0	-137.67	294.98	2.14	-135.53
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007833421	0	33	-2.0	-134.63	299.40	4.44	-130.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007833517	0	38	-2.0	-137.66	339.55	8.12	-129.54
CCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007833585	0	36	-2.0	-134.22	326.11	5.35	-128.87
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007833678	0	37	-2.0	-135.69	337.50	6.71	-128.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007833790	0	34	-2.0	-134.78	338.22	6.55	-128.23
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(Cl)C=C2)=C1	REAL300007833794	1	28	-2.0	-91.79	308.80	3.85	-87.94
CN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007833974	0	37	-2.0	-136.74	336.39	7.98	-128.76
CCC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834069	0	40	-2.0	-136.21	327.54	7.16	-129.05
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007834146	0	34	-2.0	-135.54	321.52	6.03	-129.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2)=C1	REAL300007834149	1	28	-2.0	-96.32	292.06	3.33	-92.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC2)C=C1C(=O)[O-]	REAL300007834292	0	37	-2.0	-137.11	320.46	5.49	-131.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC2)=C1	REAL300007834294	1	31	-2.0	-96.06	290.02	3.09	-92.97
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1C(=O)[O-]	REAL300007834350	0	35	-2.0	-133.95	318.46	3.31	-130.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCO2)=C1	REAL300007834352	1	29	-2.0	-99.32	289.02	0.62	-98.70
CC12CC(CC(C)(C)C1)N(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007834452	0	47	-2.0	-141.78	369.08	8.27	-133.51
CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834568	0	37	-2.0	-149.55	340.63	2.61	-146.94
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834655	0	34	-2.0	-135.20	316.34	7.51	-127.69
CCN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834749	0	37	-2.0	-133.65	338.29	8.34	-125.31
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007834810	0	37	-2.0	-136.41	321.89	6.60	-129.81
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)[O-]	REAL300007834864	0	32	-2.0	-134.82	291.65	3.61	-131.21
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834901	0	33	-2.0	-135.76	287.57	3.99	-131.77
CCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007834932	0	33	-2.0	-134.15	304.61	4.57	-129.58
CC1CC(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007835104	0	40	-2.0	-137.13	342.73	7.19	-129.94
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835168	0	39	-2.0	-134.88	343.70	7.26	-127.62
CCCCN(CCCC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835273	0	45	-2.0	-135.52	386.69	8.82	-126.70
C=CCN(CC=C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835343	0	35	-2.0	-135.17	327.27	6.90	-128.27
CCCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835397	0	36	-2.0	-134.17	324.21	6.46	-127.71
COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835450	0	34	-2.0	-135.24	316.79	2.87	-132.37
CC(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835502	0	36	-2.0	-133.98	322.18	5.10	-128.88
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC2)C=C1C(=O)[O-]	REAL300007835586	0	40	-2.0	-134.04	344.25	6.40	-127.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCCC2)=C1	REAL300007835589	1	34	-2.0	-95.51	315.25	3.71	-91.80
CC(C)CCN(CCC(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835685	0	51	-2.0	-135.92	421.82	9.85	-126.07
CCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835755	0	39	-2.0	-134.37	347.61	6.14	-128.23
CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007835757	1	33	-2.0	-93.60	318.15	3.46	-90.14
COCCN(CCOC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007835859	0	41	-2.0	-134.78	361.41	4.18	-130.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007835977	0	35	-2.0	-139.10	319.89	7.94	-131.16
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007836083	0	41	-2.0	-136.67	372.53	6.12	-130.55
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007836087	1	35	-2.0	-95.74	343.07	3.43	-92.31
CC(CCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007836199	0	43	-2.0	-136.26	380.83	8.25	-128.01
CC(CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007836203	1	37	-2.0	-96.15	350.42	5.84	-90.31
CC(C)CCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007836319	0	45	-2.0	-134.83	381.46	7.28	-127.55
CC(C)CCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007836323	1	39	-2.0	-94.49	351.08	4.90	-89.59
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300007836436	0	34	-2.0	-134.57	335.93	6.47	-128.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2Cl)=C1	REAL300007836440	1	28	-2.0	-97.86	306.48	3.77	-94.09
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300007836556	0	34	-2.0	-134.37	338.25	6.55	-127.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(Cl)=C2)=C1	REAL300007836560	1	28	-2.0	-93.68	308.80	3.84	-89.84
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007836681	0	33	-2.0	-134.37	301.47	4.48	-129.89
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007836776	0	38	-2.0	-137.12	351.00	5.33	-131.79
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC2)C=C1C(=O)[O-]	REAL300007836837	0	34	-2.0	-136.22	305.86	5.06	-131.16
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCC2)C=C1C(=O)[O-]	REAL300007836938	0	43	-2.0	-135.37	340.18	6.20	-129.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCCCC2)=C1	REAL300007836942	1	37	-2.0	-97.48	311.65	3.93	-93.55
CCN(C1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007837056	0	43	-2.0	-137.15	355.58	7.97	-129.18
CCN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007837174	0	40	-2.0	-136.68	356.24	8.75	-127.93
CCC(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007837242	0	36	-2.0	-136.19	315.82	5.30	-130.89
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300007837338	0	41	-2.0	-136.97	374.93	6.88	-130.09
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CNC3=CC=CC=C23)=C1	REAL300007837342	1	35	-2.0	-101.57	345.48	4.18	-97.39
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007837456	0	41	-2.0	-136.76	359.17	7.90	-128.86
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC3=CC=CC=C32)=C1	REAL300007837460	1	35	-2.0	-100.87	331.36	5.25	-95.62
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007837512	0	33	-2.0	-135.48	297.92	5.39	-130.09
CCCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007837594	0	42	-2.0	-137.76	365.95	6.85	-130.91
CCCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007837598	1	36	-2.0	-94.16	333.51	4.39	-89.77
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007837704	0	37	-2.0	-135.60	359.75	7.34	-128.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(Cl)C=C2)=C1	REAL300007837708	1	31	-2.0	-92.51	330.30	4.65	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCC2)C=C1C(=O)[O-]	REAL300007837805	0	40	-2.0	-134.55	335.48	5.99	-128.56
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCCC2)=C1	REAL300007837808	1	34	-2.0	-95.90	300.93	3.46	-92.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(Cl)C=C2Cl)=C1	REAL300007837898	1	28	-2.0	-92.37	323.21	4.26	-88.11
CC(C)(C)CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007838003	0	45	-2.0	-136.11	343.25	6.97	-129.14
CC(C)(C)CC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007838007	1	39	-2.0	-91.91	328.88	5.07	-86.84
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007838121	0	40	-2.0	-134.95	364.50	7.60	-127.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2=CC=CC=C2)=C1	REAL300007838125	1	34	-2.0	-95.18	335.06	4.92	-90.26
COC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1OC	REAL300007838230	0	42	-2.0	-136.49	380.27	5.23	-131.26
CC(C)CCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007838330	0	42	-2.0	-134.71	359.96	6.50	-128.21
CC(C)CCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007838334	1	36	-2.0	-94.32	329.58	4.11	-90.21
CC(C)CCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007838442	0	48	-2.0	-134.49	408.17	8.20	-126.29
CC(C)CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007838446	1	42	-2.0	-93.54	378.71	5.53	-88.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300007838556	0	41	-2.0	-141.69	363.59	6.56	-135.13
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CCCCC2)C=C1C(=O)[O-]	REAL300007838668	0	41	-2.0	-135.33	358.85	7.04	-128.29
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CCCCC2)=C1	REAL300007838672	1	35	-2.0	-95.73	329.39	4.35	-91.38
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007838736	0	37	-2.0	-134.30	321.39	6.62	-127.68
CCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007838946	0	36	-2.0	-134.53	320.89	5.21	-129.32
CCN(CC1=CC=C(OC)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007839193	0	44	-2.0	-138.48	382.53	7.89	-130.59
CCN(C(C)C1=CC=C(F)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007839302	0	43	-2.0	-141.00	373.86	8.98	-132.02
CC1=NC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007839463	0	36	-2.0	-135.94	346.89	5.92	-130.02
CCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007839534	0	36	-2.0	-134.83	317.56	6.38	-128.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007839635	0	38	-2.0	-135.29	348.74	7.34	-127.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3=CC=CC=C32)=C1	REAL300007839639	1	32	-2.0	-99.26	319.31	4.66	-94.60
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300007839704	1	32	-2.0	-117.34	314.03	4.54	-112.80
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300007839744	0	39	-2.0	-141.81	363.75	7.30	-134.51
CN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007839802	0	34	-2.0	-134.23	312.86	6.47	-127.76
CC1=CC=CC(OCCN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007839895	0	44	-2.0	-138.22	391.63	8.15	-130.07
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(Cl)C=C1	REAL300007839991	1	37	-2.0	-94.03	361.22	5.66	-88.37
CS(=O)(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007840205	0	36	-2.0	-145.19	346.75	1.35	-143.84
CS(=O)(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007840209	1	30	-2.0	-105.28	317.29	-1.32	-106.60
CCC(CC)N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007840323	0	43	-2.0	-137.49	348.51	8.53	-128.96
CN(CC1=CC=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007840474	0	37	-2.0	-136.31	342.68	7.80	-128.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=CC3=CC=CC=C32)=C1	REAL300007840565	1	38	-2.0	-102.01	367.00	5.30	-96.71
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=CC=C1	REAL300007840681	1	34	-2.0	-119.41	318.06	3.47	-115.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)O1	REAL300007840685	1	34	-2.0	-101.34	333.90	5.28	-96.06
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)O1	REAL300007840686	1	37	-2.0	-100.70	352.13	5.74	-94.96
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)O1	REAL300007840692	1	34	-2.0	-101.34	333.90	5.28	-96.06
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)=C1	REAL300007840699	1	34	-2.0	-100.34	334.53	5.00	-95.34
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=CC=C1	REAL300007840703	1	33	-2.0	-114.32	324.78	5.00	-109.32
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)SC=N1	REAL300007840704	1	33	-2.0	-117.95	329.50	4.65	-113.30
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)=C1	REAL300007840719	1	37	-2.0	-101.48	352.38	5.85	-95.63
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)OC=C1	REAL300007840720	1	34	-2.0	-119.15	319.16	5.25	-113.90
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=CC=C1	REAL300007840722	1	34	-2.0	-119.41	318.06	3.47	-115.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC(F)(F)F)C2=CC=CC=C2)=C1	REAL300007840726	0	34	-2.0	-95.78	349.31	5.54	-90.24
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC(F)(F)F)C1=CC=CC=C1	REAL300007840738	1	34	-2.0	-119.41	318.06	3.47	-115.94
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CCCCC2)C2CC2)C=C1C(=O)[O-]	REAL300007840822	0	47	-2.0	-144.18	370.90	9.04	-135.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCCC2=CC=CC=C2)=C1	REAL300007840918	1	41	-2.0	-94.75	390.59	4.98	-89.77
CC(C)COC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007841130	1	40	-2.0	-131.94	363.07	4.75	-127.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC3=C2OCO3)C=C1C(=O)[O-]	REAL300007841531	0	37	-2.0	-137.72	347.55	4.69	-133.03
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC3=C2OCO3)=C1	REAL300007841535	1	31	-2.0	-101.48	318.09	1.98	-99.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC3=C2OCCCO3)=C1	REAL300007841634	1	37	-2.0	-100.14	353.89	3.30	-96.84
CC(C)CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007841779	0	43	-2.0	-138.40	377.40	5.20	-133.20
CC(C)CCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007841783	1	37	-2.0	-96.63	348.17	2.48	-94.15
CCCCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007841888	0	40	-2.0	-138.33	359.83	4.68	-133.65
CCCCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007841892	1	34	-2.0	-96.44	330.61	1.97	-94.47
CC(C)CCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007841955	0	39	-2.0	-134.15	341.78	6.97	-127.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCOC2C2=CC=CC=C2)=C1	REAL300007842080	1	42	-2.0	-97.29	383.00	4.96	-92.33
CC1=CC=C(C2COCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007842263	0	42	-2.0	-135.49	359.14	6.85	-128.64
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007842385	0	41	-2.0	-134.47	348.30	4.31	-130.16
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007842389	1	35	-2.0	-95.20	315.94	1.81	-93.39
CN(CCCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007842499	0	43	-2.0	-136.09	384.11	9.48	-126.61
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CS1	REAL300007842644	1	27	-2.0	-118.55	276.78	2.86	-115.69
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007842691	0	34	-2.0	-133.19	327.30	5.72	-127.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=C(F)C=C3)CC2)C=C1C(=O)[O-]	REAL300007842807	0	38	-2.0	-134.62	342.51	7.17	-127.45
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=C(F)C=C3)CC2)=C1	REAL300007842811	1	32	-2.0	-95.24	322.11	4.94	-90.30
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300007842921	0	41	-2.0	-136.48	362.42	7.97	-128.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(CC3=CC=CC=C3)CC2)=C1	REAL300007842925	1	35	-2.0	-97.94	332.86	5.22	-92.72
COC(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007842990	0	34	-2.0	-134.21	315.38	2.84	-131.37
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCOC2)C=C1C(=O)[O-]	REAL300007843077	0	38	-2.0	-135.40	334.09	4.01	-131.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCOC2)=C1	REAL300007843081	1	32	-2.0	-94.84	306.28	1.32	-93.52
CCC(C)CC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007843175	0	42	-2.0	-134.91	356.33	6.37	-128.54
CCC(C)CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007843179	1	36	-2.0	-94.69	325.95	3.98	-90.71
CC1(C)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007843241	0	37	-2.0	-135.78	315.78	6.39	-129.39
C=CCOC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007843345	0	39	-2.0	-142.16	354.46	5.65	-136.51
CN(C1CCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007843406	0	34	-2.0	-134.62	303.16	5.96	-128.66
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=NO1	REAL300007843423	1	26	-2.0	-127.55	267.85	0.00	-127.55
CC1=NC(C[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=NO1	REAL300007843424	1	29	-2.0	-103.93	288.54	-1.66	-105.59
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300007843425	1	26	-2.0	-100.21	276.26	-0.65	-100.86
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=NO1	REAL300007843428	1	29	-2.0	-127.56	291.07	1.71	-125.85
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=NO1	REAL300007843429	1	29	-2.0	-106.54	286.97	-0.96	-107.50
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300007843435	1	26	-2.0	-105.05	277.17	-0.76	-105.81
CC1=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300007843439	1	26	-2.0	-107.44	275.64	-0.75	-108.19
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=NO1	REAL300007843440	1	32	-2.0	-125.44	313.04	2.20	-123.24
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=NO1	REAL300007843442	1	32	-2.0	-137.49	311.53	2.54	-134.95
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=NO1	REAL300007843444	1	34	-2.0	-96.77	322.23	1.24	-95.53
CC1=NC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NO1	REAL300007843446	1	29	-2.0	-105.19	286.99	-0.65	-105.84
CC1=NC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=NO1	REAL300007843447	0	25	-2.0	-126.96	262.31	-1.53	-128.49
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=NO1	REAL300007843448	0	25	-2.0	-130.61	265.56	-2.08	-132.69
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=NO1	REAL300007843449	1	29	-2.0	-104.14	300.71	0.72	-103.42
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=NO1	REAL300007843450	1	29	-2.0	-104.58	305.28	0.82	-103.76
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=NO1	REAL300007843455	1	29	-2.0	-104.14	300.71	0.72	-103.42
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]CC1=NOC(C)=N1	REAL300007843456	1	29	-2.0	-130.22	284.63	0.83	-129.39
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NO1	REAL300007843457	1	32	-2.0	-103.60	313.43	1.43	-102.17
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300007843466	1	32	-2.0	-106.08	321.83	1.37	-104.71
CC1=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=NO1	REAL300007843471	1	31	-2.0	-120.98	302.55	1.86	-119.12
CC1=NC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=NO1	REAL300007843473	0	31	-2.0	-119.99	302.53	1.86	-118.13
CC1=NC(C[N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=NO1	REAL300007843474	1	31	-2.0	-102.59	295.42	-1.08	-103.67
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=NO1	REAL300007843478	1	32	-2.0	-101.37	311.61	1.04	-100.33
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=NO1	REAL300007843481	1	29	-2.0	-120.16	278.25	-1.33	-121.49
CC1=NC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=NO1	REAL300007843483	1	29	-2.0	-107.03	286.71	-0.83	-107.86
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])=NO1	REAL300007843484	1	29	-2.0	-127.71	295.64	1.82	-125.89
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=NO1	REAL300007843488	1	29	-2.0	-120.16	278.25	-1.33	-121.49
CC1=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300007843489	0	32	-2.0	-137.64	313.07	1.51	-136.13
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=NO1	REAL300007843492	0	26	-2.0	-99.96	283.65	-1.13	-101.09
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=NO1	REAL300007843496	1	29	-2.0	-105.22	285.50	-2.04	-107.26
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=NO1	REAL300007843498	1	29	-2.0	-107.71	294.07	-0.10	-107.81
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=NO1	REAL300007843500	1	32	-2.0	-105.51	309.76	1.88	-103.63
CC1=NC(C[N-]S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=NO1	REAL300007843502	1	29	-2.0	-95.33	313.71	0.79	-94.54
CC1=NC(C[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=NO1	REAL300007843503	1	32	-2.0	-129.77	310.32	-1.16	-130.93
CC1=NC(C[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=NO1	REAL300007843504	1	32	-2.0	-102.44	310.55	1.46	-100.98
CC1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=NO1	REAL300007843506	0	26	-2.0	-120.40	284.85	0.63	-119.77
CC1=NC(C[N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=NO1	REAL300007843507	1	31	-2.0	-100.52	296.38	-1.03	-101.55
CC1(C)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007843552	0	37	-2.0	-135.39	326.29	6.20	-129.19
CC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=N1	REAL300007843656	0	39	-2.0	-134.06	359.63	5.49	-128.57
CN(C1CCS(=O)(=O)CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007843767	0	40	-2.0	-141.40	359.31	3.35	-138.05
CC(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300007843835	1	36	-2.0	-118.27	321.85	5.06	-113.21
CC1=CC=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300007843965	0	43	-2.0	-137.20	371.58	7.80	-129.40
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300007844243	0	37	-2.0	-132.73	348.23	6.76	-125.97
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC2)C=C1C(=O)[O-]	REAL300007844305	0	34	-2.0	-134.46	314.73	5.36	-129.10
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C1=CC=CC=C1	REAL300007844402	0	43	-2.0	-136.73	376.39	7.87	-128.86
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)C1=CC=CC=C1	REAL300007844406	1	37	-2.0	-95.57	344.02	5.41	-90.16
CC1(C)CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007844522	0	43	-2.0	-138.30	351.89	6.62	-131.68
CC1(C)CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007844526	1	37	-2.0	-96.35	321.62	4.17	-92.18
COC[C@@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007844591	0	34	-2.0	-133.94	310.79	2.81	-131.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2C=CCCC2)C=C1C(=O)[O-]	REAL300007844645	0	35	-2.0	-137.52	313.86	5.45	-132.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C=CCCC2)=C1	REAL300007844647	1	29	-2.0	-97.23	281.46	2.98	-94.25
O=C([O-])C1=CC=C(S(=O)(=O)NCCCF)C=C1C(=O)[O-]	REAL300007844686	0	30	-2.0	-135.17	289.70	3.94	-131.23
C[C@H](CC1CCCCC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007844786	0	46	-2.0	-135.30	379.80	7.62	-127.68
C[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007844790	1	40	-2.0	-96.35	349.38	5.22	-91.13
CC1(C)CCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007844889	0	40	-2.0	-136.85	340.96	6.36	-130.49
CC1(C)CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007844892	1	34	-2.0	-96.10	311.05	3.95	-92.15
CC(C)CC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007844953	0	39	-2.0	-134.81	338.10	5.72	-129.09
CC(C)CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007844955	1	33	-2.0	-94.25	307.72	3.32	-90.93
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CCC2C3)C=C1C(=O)[O-]	REAL300007845034	0	38	-2.0	-135.47	325.32	6.20	-129.27
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CCC2C3)=C1	REAL300007845037	1	32	-2.0	-96.89	295.30	3.53	-93.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCS2)C=C1C(=O)[O-]	REAL300007845134	0	35	-2.0	-139.47	326.95	5.53	-133.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCS2)=C1	REAL300007845138	1	29	-2.0	-98.82	298.46	2.86	-95.96
C=C(Cl)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007845198	0	28	-2.0	-133.27	291.19	4.09	-129.18
C=C(Cl)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007845200	0	22	-2.0	-91.77	261.74	1.40	-90.37
C=C(Cl)C[N-]S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007845207	1	25	-2.0	-87.19	291.81	3.33	-83.86
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)O1	REAL300007845301	0	41	-2.0	-136.47	347.04	4.35	-132.12
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC(C)O1	REAL300007845305	1	35	-2.0	-93.60	321.02	2.46	-91.14
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)(C)O1	REAL300007845418	0	44	-2.0	-134.77	366.63	5.10	-129.67
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)(C)O1	REAL300007845422	1	38	-2.0	-91.05	333.61	3.05	-88.00
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007845524	0	38	-2.0	-134.23	334.71	3.93	-130.30
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007845528	1	32	-2.0	-94.40	302.40	1.44	-92.96
CC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007845637	0	43	-2.0	-139.06	353.59	6.53	-132.53
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007845641	1	37	-2.0	-96.07	321.14	4.12	-91.95
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007845698	0	34	-2.0	-134.52	310.16	5.00	-129.52
O=C([O-])C1=CC=C(S(=O)(=O)NCCCCC2CCCC2)C=C1C(=O)[O-]	REAL300007845798	0	46	-2.0	-134.79	390.30	7.96	-126.83
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC2CCCC2)=C1	REAL300007845802	1	40	-2.0	-93.86	360.86	5.28	-88.58
CC1CC(C2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007845913	0	44	-2.0	-137.70	376.82	9.06	-128.64
CSC(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846023	0	37	-2.0	-138.22	337.57	5.47	-132.75
CSC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846027	1	31	-2.0	-96.58	309.94	2.81	-93.77
CC1OCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846090	0	35	-2.0	-133.62	313.06	3.44	-130.18
CC1OCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846092	1	29	-2.0	-92.00	283.35	1.06	-90.94
CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007846148	0	37	-2.0	-136.18	315.49	5.44	-130.74
CCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007846150	1	31	-2.0	-94.30	292.38	3.39	-90.91
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300007846183	1	33	-2.0	-106.18	317.70	-0.75	-106.93
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007846201	1	30	-2.0	-104.01	299.72	-1.48	-105.49
COC1=CC=NC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007846205	0	29	-2.0	-126.38	293.03	-1.33	-127.71
COC1=CC=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007846206	1	29	-2.0	-128.48	295.18	-1.86	-130.34
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007846234	1	35	-2.0	-118.87	333.26	2.06	-116.81
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=N1	REAL300007846244	1	33	-2.0	-106.98	317.44	-0.62	-107.60
COC1=CC=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007846246	1	30	-2.0	-127.61	291.92	-0.74	-128.35
COC1=CC=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007846251	0	36	-2.0	-137.21	343.82	1.73	-135.48
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007846255	1	30	-2.0	-99.62	314.37	-0.94	-100.56
COC1=CC=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007846277	1	30	-2.0	-119.86	315.58	0.83	-119.03
CCSCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846371	0	40	-2.0	-134.29	365.60	6.55	-127.74
CCSCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846375	1	34	-2.0	-92.75	335.22	4.17	-88.58
CSCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846568	0	37	-2.0	-134.21	344.13	5.67	-128.54
CSCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846572	1	31	-2.0	-92.32	313.75	3.28	-89.04
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCCCC1	REAL300007846680	0	46	-2.0	-134.37	362.24	7.07	-127.30
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCCC1	REAL300007846684	1	40	-2.0	-96.79	335.55	4.39	-92.40
CSC1CCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846800	0	38	-2.0	-134.38	345.13	6.26	-128.12
CSC1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846804	1	32	-2.0	-97.52	314.54	3.93	-93.59
CO[C@H]1CCCC[C@@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846918	0	41	-2.0	-139.17	354.65	4.60	-134.57
CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007846922	1	35	-2.0	-99.02	322.29	2.12	-96.90
COCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007846987	0	34	-2.0	-133.93	310.63	2.79	-131.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CCOCC2)=C1	REAL300007847103	1	42	-2.0	-97.23	382.78	5.04	-92.19
CO[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007847161	0	35	-2.0	-140.55	319.72	4.11	-136.44
CC1=CC=C2C(=C1)OCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007847257	0	39	-2.0	-134.81	341.49	7.13	-127.68
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1C	REAL300007847352	0	40	-2.0	-138.58	331.88	7.08	-131.50
CC1=CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007847414	0	35	-2.0	-135.23	313.59	6.53	-128.70
CO[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007847472	0	35	-2.0	-139.18	319.01	4.15	-135.03
CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007847559	0	40	-2.0	-138.46	340.07	7.22	-131.24
CC1SCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007847668	0	38	-2.0	-136.92	333.78	6.84	-130.08
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS1	REAL300007847785	0	38	-2.0	-132.80	341.38	7.16	-125.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300007847937	0	48	-2.0	-138.25	389.75	7.20	-131.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)C=C1C(=O)[O-]	REAL300007848052	0	39	-2.0	-136.64	333.20	5.26	-131.38
CCCCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007848170	0	45	-2.0	-138.27	387.45	7.63	-130.64
CCCCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007848174	1	39	-2.0	-94.29	355.01	5.17	-89.12
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1OC	REAL300007848270	1	39	-2.0	-97.04	372.32	3.33	-93.71
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(Cl)C=C2Cl)=C1	REAL300007848344	1	31	-2.0	-93.99	344.05	5.05	-88.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2=CC=CC=C2)=C1	REAL300007848426	1	38	-2.0	-99.37	363.69	7.27	-92.10
CCOCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007848498	0	37	-2.0	-135.36	338.64	3.84	-131.52
CCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007848501	1	31	-2.0	-93.92	309.18	1.15	-92.77
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007848617	0	37	-2.0	-136.10	349.43	6.89	-129.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(F)C=C2)=C1	REAL300007848621	1	31	-2.0	-92.37	319.98	4.20	-88.17
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007848731	0	34	-2.0	-135.06	327.90	6.10	-128.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(F)C=C2)=C1	REAL300007848735	1	28	-2.0	-91.58	298.48	3.40	-88.18
CCC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007848796	0	36	-2.0	-135.85	301.21	4.51	-131.34
CCCCOCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007848979	0	43	-2.0	-135.41	381.64	5.42	-129.99
CCCCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007848983	1	37	-2.0	-93.76	352.18	2.73	-91.03
CC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007849097	0	43	-2.0	-135.10	357.32	6.66	-128.44
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1C	REAL300007849101	1	37	-2.0	-96.66	319.83	4.05	-92.61
CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849168	0	37	-2.0	-134.77	308.21	6.57	-128.20
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCCCC2)C=C1C(=O)[O-]	REAL300007849254	0	40	-2.0	-135.90	321.83	7.64	-128.26
CCCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849318	0	39	-2.0	-135.31	343.69	7.26	-128.05
CC1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849405	0	40	-2.0	-135.26	337.28	6.49	-128.77
CC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007849408	1	34	-2.0	-94.41	305.94	4.07	-90.34
CCCCCN(CCCCC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849511	0	51	-2.0	-135.89	429.69	10.39	-125.50
CCCN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849612	0	40	-2.0	-136.17	355.22	8.11	-128.06
C=C(C)CN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849675	0	37	-2.0	-135.55	330.35	7.06	-128.49
CC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007849770	0	37	-2.0	-134.54	342.93	6.71	-127.83
CC(C)OCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849919	0	40	-2.0	-135.24	358.91	4.58	-130.66
CC(C)OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007849923	1	34	-2.0	-94.24	329.46	1.90	-92.34
CC(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007849982	0	36	-2.0	-134.79	312.56	4.89	-129.90
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CS2)C=C1C(=O)[O-]	REAL300007850150	0	31	-2.0	-133.65	311.75	5.15	-128.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CS2)=C1	REAL300007850153	1	25	-2.0	-94.64	282.30	2.43	-92.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC23CC4CC(CC(C4)C2)C3)=C1	REAL300007850243	1	45	-2.0	-97.80	370.65	5.79	-92.01
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300007850341	0	34	-2.0	-135.55	327.19	6.07	-129.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2F)=C1	REAL300007850345	1	28	-2.0	-100.47	297.74	3.35	-97.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300007850440	1	31	-2.0	-93.33	330.80	4.33	-89.00
CN(CCOC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007850547	0	41	-2.0	-136.96	367.95	7.62	-129.34
CCOC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007850731	0	44	-2.0	-136.85	389.35	8.21	-128.64
COC1=CC=CC=C1OCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007850909	0	42	-2.0	-144.75	380.41	5.58	-139.17
COC1=CC=CC=C1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007850913	1	36	-2.0	-103.71	351.21	2.86	-100.85
CCC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007851020	0	43	-2.0	-136.90	380.90	9.42	-127.48
COCCN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007851234	0	44	-2.0	-138.12	386.22	7.93	-130.19
CN(CC1=CC=CC(F)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007851439	0	37	-2.0	-134.05	342.80	8.05	-126.00
CCCN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007851556	0	43	-2.0	-136.76	377.76	9.51	-127.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCCCC2)C=C1C(=O)[O-]	REAL300007851675	0	46	-2.0	-134.26	366.20	7.24	-127.02
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCCCCC2)=C1	REAL300007851679	1	40	-2.0	-96.40	337.04	4.58	-91.82
CC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007851792	0	43	-2.0	-136.72	379.77	7.94	-128.78
CC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007851796	1	37	-2.0	-96.80	350.35	5.27	-91.53
COC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007851904	0	44	-2.0	-137.81	394.03	6.90	-130.91
COC1=CC=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007851908	1	38	-2.0	-95.56	364.57	4.22	-91.34
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC=CS2)C=C1C(=O)[O-]	REAL300007852022	0	33	-2.0	-137.07	327.81	3.95	-133.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC=CS2)=C1	REAL300007852026	1	27	-2.0	-96.16	298.35	1.24	-94.92
CC1=NC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007852136	1	28	-2.0	-120.42	282.35	0.88	-119.54
CC1=NC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007852179	0	35	-2.0	-134.81	333.15	3.97	-130.84
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300007852284	0	41	-2.0	-139.83	369.44	9.17	-130.66
COCCCN(CCOC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007852488	0	44	-2.0	-135.52	386.17	4.77	-130.75
CCN(CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)S(C)(=O)=O	REAL300007852666	1	38	-2.0	-106.32	367.86	-0.13	-106.45
CC1=CC=C(OCC(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007852763	0	44	-2.0	-135.13	388.33	6.99	-128.14
CC1=CC=C(OCC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007852767	1	38	-2.0	-97.98	358.28	4.58	-93.40
CC(COC1=CC=C(F)C=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007852851	1	35	-2.0	-97.58	349.51	4.04	-93.54
CC(COC1=CC=CC=C1F)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007852944	0	41	-2.0	-143.77	373.14	6.39	-137.38
CC(COC1=CC=CC=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007852948	1	35	-2.0	-103.14	343.11	3.98	-99.16
CC1=CC=CC(OCC(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007853051	0	44	-2.0	-136.26	390.30	7.06	-129.20
CC1=CC=CC(OCC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007853055	1	38	-2.0	-99.00	358.28	4.58	-94.42
CC(COC1=CC=CC(F)=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007853158	0	41	-2.0	-141.03	373.28	6.38	-134.65
CC(COC1=CC=CC(F)=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007853162	1	35	-2.0	-98.08	343.29	3.97	-94.11
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=N1	REAL300007853189	1	26	-2.0	-116.67	267.85	0.09	-116.58
CC1=NOC(C[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=N1	REAL300007853190	1	29	-2.0	-95.49	288.55	-1.57	-97.06
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300007853191	1	26	-2.0	-92.15	276.26	-0.56	-92.71
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=N1	REAL300007853194	1	29	-2.0	-115.19	291.07	1.80	-113.39
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300007853195	0	29	-2.0	-97.82	286.97	-0.86	-98.68
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300007853201	1	26	-2.0	-96.91	277.17	-0.67	-97.58
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=N1	REAL300007853203	1	32	-2.0	-129.64	301.46	1.44	-128.20
CC1=NOC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300007853205	1	26	-2.0	-98.21	275.64	-0.66	-98.87
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=N1	REAL300007853206	1	32	-2.0	-113.01	313.04	2.29	-110.72
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007853208	1	32	-2.0	-124.55	311.52	2.63	-121.92
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=N1	REAL300007853210	0	34	-2.0	-88.45	322.23	1.33	-87.12
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300007853212	0	29	-2.0	-96.49	287.00	-0.56	-97.05
CC1=NOC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007853213	0	25	-2.0	-116.88	262.31	-1.45	-118.33
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007853214	0	25	-2.0	-118.85	265.56	-2.00	-120.85
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007853215	1	29	-2.0	-94.99	300.72	0.81	-94.18
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300007853216	1	29	-2.0	-95.36	305.28	0.91	-94.45
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007853221	1	29	-2.0	-94.99	300.72	0.81	-94.18
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]CC1=NC(C)=NO1	REAL300007853222	1	29	-2.0	-117.90	284.63	0.92	-116.98
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300007853223	1	32	-2.0	-95.29	313.43	1.52	-93.77
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)=N1	REAL300007853224	1	35	-2.0	-89.41	330.93	1.63	-87.78
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=N1	REAL300007853232	1	32	-2.0	-97.50	321.83	1.46	-96.04
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=N1	REAL300007853233	1	34	-2.0	-90.24	320.80	0.97	-89.27
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300007853234	1	32	-2.0	-87.62	314.10	1.11	-86.51
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300007853237	0	31	-2.0	-109.41	302.58	1.89	-107.52
CC1=NOC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007853239	0	31	-2.0	-107.79	302.56	1.89	-105.90
CC1=NOC(C[N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=N1	REAL300007853240	1	31	-2.0	-94.37	295.42	-0.99	-95.36
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300007853244	1	32	-2.0	-92.72	311.61	1.13	-91.59
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=N1	REAL300007853245	1	32	-2.0	-93.08	323.04	1.31	-91.77
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007853247	1	29	-2.0	-110.49	278.26	-1.24	-111.73
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=N1	REAL300007853249	0	29	-2.0	-98.87	286.71	-0.73	-99.60
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])=N1	REAL300007853250	1	29	-2.0	-115.30	295.64	1.91	-113.39
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300007853251	1	29	-2.0	-98.33	296.49	0.69	-97.64
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007853254	1	29	-2.0	-110.49	278.26	-1.24	-111.73
CC1=NOC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007853255	0	32	-2.0	-133.66	313.08	1.65	-132.01
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007853258	0	26	-2.0	-91.72	283.65	-1.04	-92.76
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=N1	REAL300007853262	1	29	-2.0	-97.89	285.49	-1.95	-99.84
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=N1	REAL300007853264	1	29	-2.0	-98.47	294.06	-0.01	-98.48
CC1=NOC(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])=N1	REAL300007853265	1	35	-2.0	-129.21	320.11	3.56	-125.65
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=N1	REAL300007853266	0	32	-2.0	-95.92	309.75	1.96	-93.96
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=N1	REAL300007853267	1	32	-2.0	-119.22	295.46	1.62	-117.60
CC1=NOC(C[N-]S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=N1	REAL300007853268	0	29	-2.0	-87.44	313.71	0.89	-86.55
CC1=NOC(C[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=N1	REAL300007853269	1	32	-2.0	-119.74	310.33	-1.07	-120.81
CC1=NOC(C[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=N1	REAL300007853270	1	32	-2.0	-93.58	310.59	1.54	-92.04
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007853272	0	26	-2.0	-109.86	284.85	0.72	-109.14
CC1=NOC(C[N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=N1	REAL300007853273	1	31	-2.0	-92.52	296.38	-0.94	-93.46
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=N1	REAL300007853274	1	32	-2.0	-119.22	295.46	1.62	-117.60
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=N1	REAL300007853276	1	36	-2.0	-98.37	329.43	2.19	-96.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCO2)C=C1C(=O)[O-]	REAL300007853350	0	38	-2.0	-135.34	336.53	4.14	-131.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCCO2)=C1	REAL300007853354	1	32	-2.0	-97.90	307.33	1.44	-96.46
CN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007853406	0	34	-2.0	-134.23	312.86	6.47	-127.76
CCN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007853495	0	43	-2.0	-133.81	381.19	9.68	-124.13
CC1=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007853652	0	40	-2.0	-133.92	359.11	8.85	-125.07
CC1=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])OC2=CC=CC=C12	REAL300007853713	1	36	-2.0	-130.29	334.47	4.84	-125.45
CCC1CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007853855	0	46	-2.0	-133.88	383.33	7.65	-126.23
CCC1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007853859	1	40	-2.0	-95.50	354.31	4.97	-90.53
CC(C)OC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007854065	0	44	-2.0	-134.28	375.59	6.75	-127.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC=C2C(F)(F)F)=C1	REAL300007854155	1	34	-2.0	-100.56	340.91	4.77	-95.79
CC(CC1=CSC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007854258	0	37	-2.0	-135.99	349.46	6.38	-129.61
CC(CC1=CSC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007854262	1	31	-2.0	-93.69	319.03	3.99	-89.70
COCCOC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007854329	1	38	-2.0	-133.84	354.65	2.47	-131.37
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCC2)C=C1C(=O)[O-]	REAL300007854618	0	44	-2.0	-136.21	358.30	8.39	-127.82
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CS1	REAL300007854706	1	30	-2.0	-116.70	301.93	3.62	-113.08
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007854752	0	37	-2.0	-135.56	352.28	6.58	-128.98
CCC(CC)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CS1	REAL300007854889	1	39	-2.0	-107.70	329.85	5.26	-102.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(CN3C=CC=N3)=C2)=C1	REAL300007855081	1	38	-2.0	-104.17	375.85	4.99	-99.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCC2)C=C1C(=O)[O-]	REAL300007855161	0	38	-2.0	-134.97	335.33	6.28	-128.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC=CCC2)=C1	REAL300007855164	1	32	-2.0	-95.40	307.45	3.57	-91.83
CN(CC1=COC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007855246	0	34	-2.0	-138.08	314.21	5.65	-132.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CNN=C3)CC2)C=C1C(=O)[O-]	REAL300007855358	0	41	-2.0	-146.65	360.98	6.02	-140.63
CC1=NOC(C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2)=N1	REAL300007855466	0	42	-2.0	-137.62	373.42	5.16	-132.46
CC1=NOC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2)=N1	REAL300007855572	0	42	-2.0	-137.43	372.87	5.19	-132.24
CC1=CC=CC=C1OCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007855685	0	41	-2.0	-140.38	371.24	6.43	-133.95
CC1=CC=CC=C1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007855689	1	35	-2.0	-98.55	342.04	3.73	-94.82
CCN(CC1CCCO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007855805	0	41	-2.0	-138.09	351.28	6.88	-131.21
CN(CCC1=CC=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007855920	0	40	-2.0	-137.44	366.02	8.65	-128.79
CC1=CC=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007856040	0	40	-2.0	-135.70	364.43	7.48	-128.22
CC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007856044	1	34	-2.0	-96.48	334.97	4.80	-91.68
CCOC1=CC=CC(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007856150	0	44	-2.0	-138.73	386.88	6.86	-131.87
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300007856264	0	37	-2.0	-134.08	354.87	6.93	-127.15
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(F)C=C2F)=C1	REAL300007856268	1	31	-2.0	-95.09	325.43	4.22	-90.87
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300007856469	0	39	-2.0	-139.69	371.23	7.49	-132.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007856473	1	33	-2.0	-90.96	341.79	4.80	-86.16
CC1=CC=CC(C)=C1OCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007856567	1	41	-2.0	-99.64	378.69	5.44	-94.20
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS1	REAL300007856671	0	38	-2.0	-136.51	327.97	6.83	-129.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3OCCCC3C2)C=C1C(=O)[O-]	REAL300007856788	0	42	-2.0	-141.22	354.13	6.10	-135.12
CCC1CC(C)CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007856891	0	40	-2.0	-137.76	342.46	6.99	-130.77
CN(C1CCC(C)(C)CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007857000	0	46	-2.0	-134.21	373.54	8.18	-126.03
C#CCN(CC#CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007857088	0	34	-2.0	-136.53	336.31	7.82	-128.71
CCCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007857196	0	41	-2.0	-134.17	355.11	5.96	-128.21
CCCC1(C)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007857313	0	46	-2.0	-139.93	370.46	8.35	-131.58
CC1CCCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007857434	0	43	-2.0	-139.93	352.71	7.98	-131.95
CC(C)C1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007857552	0	41	-2.0	-134.62	349.84	5.76	-128.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3C2C2CCC3C2)C=C1C(=O)[O-]	REAL300007857662	0	39	-2.0	-137.36	325.20	7.62	-129.74
CSCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007857743	0	34	-2.0	-135.42	323.79	6.04	-129.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC23CCC3)C=C1C(=O)[O-]	REAL300007857851	0	39	-2.0	-135.17	323.77	5.45	-129.72
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC(Cl)=C1Cl	REAL300007858151	1	30	-2.0	-115.26	314.02	4.75	-110.51
COCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007858277	0	39	-2.0	-134.74	346.44	3.61	-131.13
CC(C)(C)CC(O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007858394	0	43	-2.0	-134.44	367.52	3.47	-130.97
CC(C)(C)CC(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007858398	1	37	-2.0	-95.05	338.39	0.73	-94.32
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(C(F)(F)F)=CS2)=C1	REAL300007858490	1	27	-2.0	-93.19	317.50	1.48	-91.71
CC1=C(C)SC(C(C)(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007858616	1	35	-2.0	-122.60	325.69	2.81	-119.79
CC1=C(C)SC(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007858654	0	42	-2.0	-136.72	370.14	5.48	-131.24
CCC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007858803	0	43	-2.0	-136.66	354.68	6.97	-129.69
CCC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007858807	1	37	-2.0	-95.42	325.36	4.64	-90.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=NC=CS3)CCCC2)C=C1C(=O)[O-]	REAL300007859076	0	40	-2.0	-137.08	353.58	5.22	-131.86
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=NC=CS3)CCCC2)=C1	REAL300007859080	1	34	-2.0	-100.89	326.50	4.04	-96.85
C=CCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007859134	0	34	-2.0	-135.62	314.73	5.02	-130.60
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CN(C)C=C1	REAL300007859404	0	38	-2.0	-136.51	346.40	6.32	-130.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300007859515	0	37	-2.0	-138.86	355.66	6.96	-131.90
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C(F)F)C=C2)=C1	REAL300007859519	1	31	-2.0	-95.28	326.24	4.27	-91.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(CCOC3)C2)C=C1C(=O)[O-]	REAL300007859633	0	40	-2.0	-134.91	342.60	3.52	-131.39
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC2CC2=CC=CC=C2)=C1	REAL300007859821	1	41	-2.0	-99.06	372.54	6.82	-92.24
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300007860043	0	46	-2.0	-135.59	391.69	8.55	-127.04
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC1=CC=CC=C1	REAL300007860047	1	40	-2.0	-95.11	364.86	5.93	-89.18
CC1CCC2=C(F)C=CC=C2C1[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007860163	1	37	-2.0	-116.47	323.25	5.41	-111.06
CC1(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2CCOC21	REAL300007860351	0	42	-2.0	-132.95	350.78	5.68	-127.27
CC1(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2CCOC21	REAL300007860355	1	36	-2.0	-97.61	328.12	3.15	-94.46
CCOC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C12CCCC2	REAL300007860461	0	48	-2.0	-139.14	403.50	7.08	-132.06
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C12CCCC2	REAL300007860465	1	42	-2.0	-98.06	374.83	4.52	-93.54
O=C([O-])C1=CC=C(S(=O)(=O)NCCN2C=NN=C2C2CC2)C=C1C(=O)[O-]	REAL300007860573	0	40	-2.0	-146.34	370.91	7.68	-138.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCN2C=NN=C2C2CC2)=C1	REAL300007860577	1	34	-2.0	-91.75	341.46	4.97	-86.78
CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007860715	0	43	-2.0	-134.88	353.73	7.78	-127.10
CSC1CCCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007860832	0	41	-2.0	-134.94	361.97	6.52	-128.42
CSC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007860836	1	35	-2.0	-92.85	327.80	4.41	-88.44
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=NO1	REAL300007860871	1	35	-2.0	-129.92	329.71	1.86	-128.06
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=NO1	REAL300007860876	1	38	-2.0	-104.18	350.41	0.21	-103.97
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300007860877	1	35	-2.0	-100.40	338.12	1.21	-99.19
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=NO1	REAL300007860878	1	35	-2.0	-129.12	321.96	-0.89	-130.01
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=NO1	REAL300007860882	1	38	-2.0	-128.64	352.94	3.58	-125.06
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=NO1	REAL300007860883	1	35	-2.0	-105.67	330.61	0.44	-105.23
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=NO1	REAL300007860890	1	35	-2.0	-105.67	330.61	0.44	-105.23
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300007860893	1	35	-2.0	-106.04	339.04	1.11	-104.93
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300007860897	1	35	-2.0	-107.58	337.50	1.11	-106.47
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=NO1	REAL300007860899	1	41	-2.0	-138.30	373.39	4.40	-133.90
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=NO1	REAL300007860902	0	35	-2.0	-104.21	330.85	0.19	-104.02
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=NO1	REAL300007860905	1	37	-2.0	-102.27	341.02	0.28	-101.99
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=NO1	REAL300007860906	0	34	-2.0	-129.47	324.17	0.33	-129.14
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=NO1	REAL300007860907	0	34	-2.0	-128.37	326.31	-0.20	-128.57
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=NO1	REAL300007860908	1	37	-2.0	-135.81	333.05	1.26	-134.55
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=NO1	REAL300007860910	1	37	-2.0	-99.50	341.71	0.29	-99.21
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=NO1	REAL300007860911	1	38	-2.0	-103.69	362.58	2.58	-101.11
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=NO1	REAL300007860917	1	38	-2.0	-103.69	362.58	2.58	-101.11
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=NO1	REAL300007860932	1	40	-2.0	-121.90	364.45	3.67	-118.23
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=NO1	REAL300007860934	0	40	-2.0	-120.92	364.39	3.73	-117.19
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=NO1	REAL300007860939	1	41	-2.0	-101.52	373.44	2.89	-98.63
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=NO1	REAL300007860945	0	35	-2.0	-128.40	323.07	0.94	-127.46
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=NO1	REAL300007860948	1	35	-2.0	-129.12	321.96	-0.89	-130.01
CC(C)(C)C1=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300007860950	0	41	-2.0	-136.32	374.96	3.40	-132.92
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=NO1	REAL300007860952	1	37	-2.0	-109.40	342.07	0.19	-109.21
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=NO1	REAL300007860954	0	35	-2.0	-100.18	345.51	0.73	-99.45
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=NO1	REAL300007860958	1	37	-2.0	-108.73	341.91	0.31	-108.42
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=NO1	REAL300007860959	1	35	-2.0	-101.25	329.33	-1.67	-102.92
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=NO1	REAL300007860967	1	41	-2.0	-129.03	372.19	0.70	-128.33
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=NO1	REAL300007860968	1	41	-2.0	-103.30	373.92	3.28	-100.02
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=NO1	REAL300007860971	1	35	-2.0	-101.25	329.33	-1.67	-102.92
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=NO1	REAL300007860973	1	35	-2.0	-129.12	321.96	-0.89	-130.01
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=NO1	REAL300007860974	0	35	-2.0	-121.81	346.72	2.50	-119.31
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=NO1	REAL300007860980	1	37	-2.0	-126.93	331.80	1.21	-125.72
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC2O)C=C1C(=O)[O-]	REAL300007861091	0	41	-2.0	-137.61	354.14	3.12	-134.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCCC2O)=C1	REAL300007861095	1	35	-2.0	-99.80	325.13	0.45	-99.35
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1Cl	REAL300007861159	1	30	-2.0	-115.26	304.03	4.40	-110.86
CC1=CC=C(CC(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007861297	0	46	-2.0	-137.16	395.75	9.91	-127.25
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300007861413	0	40	-2.0	-136.34	343.49	7.03	-129.31
CC1=CC=CC(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007861529	0	43	-2.0	-135.01	358.49	7.63	-127.38
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300007861631	0	40	-2.0	-135.59	353.81	7.47	-128.12
CCCCC(COC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007861742	0	43	-2.0	-134.52	376.81	5.21	-129.31
CCCCC(COC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007861746	1	37	-2.0	-96.16	344.20	2.76	-93.40
CC1=CC=C(C(C)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007861856	0	43	-2.0	-135.87	379.49	8.02	-127.85
CC1=CC=C(C(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007861860	1	37	-2.0	-96.46	351.66	5.35	-91.11
CC(C)(C)C1OCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007861963	0	50	-2.0	-137.15	392.21	6.27	-130.88
CC(C)(C)C1OCCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007861967	1	44	-2.0	-95.61	370.45	3.61	-92.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CC[C@H](OC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007862125	0	42	-2.0	-135.46	374.99	7.63	-127.83
CC1(C)CCCC1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007862235	0	50	-2.0	-134.81	399.90	9.04	-125.77
CC1=CC=CC=C1CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007862350	0	40	-2.0	-135.52	355.18	8.82	-126.70
CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007862841	0	37	-2.0	-135.30	354.73	8.50	-126.80
CN(CC1=CC=CC=C1Cl)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007862957	0	37	-2.0	-135.79	346.95	8.06	-127.73
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007863045	1	34	-2.0	-91.79	352.30	5.13	-86.66
CC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007863316	0	37	-2.0	-137.27	340.96	6.89	-130.38
COC1=CC=CC=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007863502	1	34	-2.0	-126.87	313.46	3.26	-123.61
COC1=CC=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007863546	0	41	-2.0	-139.60	365.51	6.08	-133.52
CN(CC1=CC=CC(Cl)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007864000	0	37	-2.0	-133.97	353.12	8.49	-125.48
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300007864220	1	30	-2.0	-116.07	314.36	4.84	-111.23
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS(=O)(=O)C1	REAL300007864350	0	37	-2.0	-157.12	328.06	1.24	-155.88
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCS(=O)(=O)C1	REAL300007864354	1	31	-2.0	-96.20	305.82	-0.73	-96.93
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007864468	0	38	-2.0	-136.38	351.18	5.68	-130.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=CC=C2)=C1	REAL300007864472	1	32	-2.0	-98.19	321.97	2.97	-95.22
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007864589	0	39	-2.0	-134.41	350.60	6.03	-128.38
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3=CC=CC=C32)=C1	REAL300007864593	1	33	-2.0	-97.70	322.73	3.37	-94.33
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCSC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007864701	0	39	-2.0	-133.82	358.75	7.69	-126.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCSC3=CC=CC=C32)=C1	REAL300007864705	1	33	-2.0	-96.09	330.09	5.04	-91.05
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300007864816	0	37	-2.0	-135.92	352.26	7.15	-128.77
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300007865006	0	37	-2.0	-133.77	352.26	7.16	-126.61
CC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007865229	0	41	-2.0	-141.76	349.95	9.09	-132.67
CCC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007865339	0	43	-2.0	-135.28	378.42	8.08	-127.20
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC2=CC=CC=C2C=C1	REAL300007865446	0	43	-2.0	-137.49	381.53	8.90	-128.59
CC1=CC=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007865634	0	40	-2.0	-136.35	352.76	7.21	-129.14
CC(C)C1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007865745	0	46	-2.0	-136.29	397.76	8.65	-127.64
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1Br	REAL300007865810	1	30	-2.0	-120.27	302.30	4.36	-115.91
CC(C)C1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007865926	0	46	-2.0	-135.87	403.25	8.75	-127.12
CC(C)C1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007865930	1	40	-2.0	-95.89	373.79	6.06	-89.83
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1F	REAL300007865997	1	30	-2.0	-116.64	296.99	4.08	-112.56
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1F	REAL300007866041	0	37	-2.0	-140.71	349.07	6.83	-133.88
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300007866229	0	37	-2.0	-132.73	348.23	6.76	-125.97
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC(F)=C(Cl)C=C1Cl	REAL300007866286	1	30	-2.0	-114.63	320.15	4.89	-109.74
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300007866392	0	36	-2.0	-138.83	353.19	5.48	-133.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC3=CC=CC=C3S2)=C1	REAL300007866396	1	30	-2.0	-100.49	323.74	2.79	-97.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC2C3)C=C1C(=O)[O-]	REAL300007866465	0	35	-2.0	-137.93	309.68	6.37	-131.56
CN(CC(C)(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007866522	0	39	-2.0	-134.98	329.39	6.94	-128.04
CN(C1CC2=CC=CC=C2C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007866626	0	41	-2.0	-137.71	358.60	8.78	-128.93
CN(CC1CCCCO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007866798	0	41	-2.0	-133.50	353.26	6.15	-127.35
C=CCN(CC1=CC=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007866930	0	41	-2.0	-134.66	372.71	9.27	-125.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300007867037	0	38	-2.0	-137.12	346.57	3.77	-133.35
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007867150	0	41	-2.0	-134.60	374.60	5.94	-128.66
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007867154	1	35	-2.0	-96.84	341.66	3.53	-93.31
CC1=NC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007867223	1	26	-2.0	-121.62	277.43	0.90	-120.72
CC1=NC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007867270	0	33	-2.0	-134.67	328.23	4.00	-130.67
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=C(F)C=CC=C32)C=C1C(=O)[O-]	REAL300007867393	0	38	-2.0	-134.98	345.70	7.28	-127.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=C(F)C=CC=C32)=C1	REAL300007867397	1	32	-2.0	-94.60	321.99	4.63	-89.97
CN(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007867501	0	46	-2.0	-133.35	393.26	9.81	-123.54
CCCN(CC1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007867610	0	49	-2.0	-138.45	395.93	9.61	-128.84
CC1=CC=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007867682	1	30	-2.0	-121.68	298.67	3.71	-117.97
CC1=CC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007867728	0	37	-2.0	-134.04	351.17	6.59	-127.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300007867841	0	48	-2.0	-136.78	377.02	7.85	-128.93
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2C3CC4CC(C3)CC2C4)=C1	REAL300007867845	1	42	-2.0	-99.36	349.20	5.19	-94.17
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(OC)=C1	REAL300007867992	1	39	-2.0	-100.47	371.36	2.79	-97.68
COC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300007868168	0	41	-2.0	-134.58	371.10	6.08	-128.50
CC1=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=CO1	REAL300007868281	0	37	-2.0	-135.78	341.52	6.90	-128.88
COC1=CC=C(N2C=CC(C[N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])=N2)C=C1	REAL300007868334	1	38	-2.0	-130.24	359.11	3.36	-126.88
CC1=CC(OCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007868513	0	44	-2.0	-141.24	393.98	7.01	-134.23
CC1=CC(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC(C)=C1	REAL300007868517	1	38	-2.0	-99.38	364.78	4.31	-95.07
COC1=CC=C(OCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007868613	1	39	-2.0	-94.93	373.04	3.01	-91.92
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300007868777	0	38	-2.0	-135.47	359.40	7.67	-127.80
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC(Cl)=CC=C32)=C1	REAL300007868781	1	32	-2.0	-95.37	332.33	5.08	-90.29
CC(C)(C)OC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007868897	0	47	-2.0	-141.54	386.28	7.02	-134.52
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C[C@H](C)O1	REAL300007869052	0	38	-2.0	-134.98	334.68	5.08	-129.90
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC(F)=CC=C32)C=C1C(=O)[O-]	REAL300007869163	0	38	-2.0	-135.55	349.07	7.21	-128.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC(F)=CC=C32)=C1	REAL300007869167	1	32	-2.0	-94.96	322.01	4.63	-90.33
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007869196	1	36	-2.0	-96.37	329.91	5.82	-90.55
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007869197	1	36	-2.0	-108.96	329.92	5.82	-103.14
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300007869198	1	39	-2.0	-109.27	345.35	6.61	-102.66
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300007869199	0	40	-2.0	-114.00	358.06	5.62	-108.38
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300007869200	1	39	-2.0	-109.94	345.93	6.36	-103.58
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=C1	REAL300007869201	0	33	-2.0	-126.12	313.78	5.50	-120.62
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007869202	1	36	-2.0	-108.96	329.92	5.82	-103.14
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007869203	1	36	-2.0	-96.37	329.91	5.82	-90.55
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300007869204	1	36	-2.0	-133.34	320.30	6.58	-126.76
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(=O)[O-])=C2)=C1	REAL300007869205	0	34	-2.0	-104.44	318.44	3.55	-100.89
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=C1	REAL300007869206	0	36	-2.0	-101.18	334.48	3.94	-97.24
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300007869207	0	33	-2.0	-98.00	322.19	4.94	-93.06
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007869208	0	33	-2.0	-125.62	307.30	2.76	-122.86
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300007869211	1	36	-2.0	-133.34	320.30	6.58	-126.76
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=C1	REAL300007869212	1	36	-2.0	-124.31	337.04	7.07	-117.24
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007869213	0	33	-2.0	-102.88	314.67	4.19	-98.69
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300007869214	0	36	-2.0	-103.91	332.90	4.64	-99.27
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007869219	0	33	-2.0	-102.88	314.67	4.19	-98.69
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300007869220	1	40	-2.0	-94.53	361.00	6.11	-88.42
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2OC)=C1	REAL300007869221	0	40	-2.0	-101.95	368.78	6.89	-95.06
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300007869222	0	33	-2.0	-103.15	323.10	4.83	-98.32
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300007869223	1	42	-2.0	-111.41	362.60	7.18	-104.23
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300007869224	1	39	-2.0	-140.36	347.35	6.94	-133.42
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300007869225	1	43	-2.0	-110.18	384.98	5.52	-104.66
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300007869226	0	33	-2.0	-104.62	321.57	4.86	-99.76
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300007869227	1	39	-2.0	-105.52	339.98	6.45	-99.07
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300007869228	0	39	-2.0	-134.21	357.46	8.09	-126.12
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300007869229	1	39	-2.0	-99.54	352.11	6.59	-92.95
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007869230	1	41	-2.0	-94.65	368.16	6.85	-87.80
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300007869231	0	33	-2.0	-101.84	314.92	3.93	-97.91
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300007869232	1	39	-2.0	-107.87	352.09	6.59	-101.28
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300007869233	0	36	-2.0	-102.34	332.93	4.95	-97.39
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=C1	REAL300007869234	0	35	-2.0	-99.22	325.08	4.02	-95.20
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007869235	0	32	-2.0	-125.56	308.24	3.96	-121.60
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007869236	0	32	-2.0	-127.61	311.50	3.51	-124.10
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=C1	REAL300007869237	0	35	-2.0	-132.89	317.17	4.77	-128.12
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300007869239	0	35	-2.0	-96.83	325.78	4.03	-92.80
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300007869240	1	36	-2.0	-101.22	346.65	6.32	-94.90
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300007869241	1	40	-2.0	-114.80	357.21	5.89	-108.91
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300007869242	1	39	-2.0	-96.54	345.92	6.37	-90.17
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=C1	REAL300007869244	1	41	-2.0	-99.67	362.76	6.20	-93.47
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300007869245	1	43	-2.0	-110.18	384.98	5.52	-104.66
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300007869246	1	36	-2.0	-101.22	346.65	6.32	-94.90
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)=C1	REAL300007869247	0	36	-2.0	-127.23	330.57	6.35	-120.88
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300007869248	1	39	-2.0	-101.47	359.36	7.03	-94.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)=C1	REAL300007869249	1	42	-2.0	-94.70	376.86	7.16	-87.54
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300007869251	0	40	-2.0	-114.00	358.06	5.62	-108.38
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300007869252	1	39	-2.0	-109.94	345.93	6.36	-103.58
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300007869253	1	39	-2.0	-109.27	345.35	6.61	-102.66
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300007869254	0	40	-2.0	-99.14	362.55	5.96	-93.18
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300007869256	1	39	-2.0	-107.87	352.09	6.59	-101.28
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(OC)C=C(C(=O)[O-])S2)=C1	REAL300007869257	0	37	-2.0	-103.49	351.52	4.71	-98.78
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=C1	REAL300007869258	1	41	-2.0	-95.18	366.73	6.49	-88.69
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300007869259	1	43	-2.0	-102.63	376.04	7.71	-94.92
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300007869260	0	39	-2.0	-102.06	352.05	5.80	-96.26
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007869261	0	38	-2.0	-121.02	355.48	6.67	-114.35
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)=C1	REAL300007869262	1	39	-2.0	-96.20	367.79	7.32	-88.88
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007869263	0	38	-2.0	-117.06	348.50	7.23	-109.83
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=C1	REAL300007869264	0	38	-2.0	-100.42	341.36	4.52	-95.90
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007869265	0	40	-2.0	-100.61	358.11	5.63	-94.98
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007869266	1	40	-2.0	-101.11	357.20	5.90	-95.21
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])=C1	REAL300007869267	1	43	-2.0	-130.57	370.87	6.17	-124.40
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=C1	REAL300007869268	1	39	-2.0	-98.38	357.55	6.63	-91.75
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300007869269	1	45	-2.0	-101.10	384.84	7.48	-93.62
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300007869270	0	36	-2.0	-118.13	324.19	4.26	-113.87
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=C1	REAL300007869271	1	42	-2.0	-99.32	366.23	7.99	-91.33
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007869272	0	36	-2.0	-105.02	332.64	4.79	-100.23
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300007869273	1	36	-2.0	-104.65	342.43	6.21	-98.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300007869274	0	33	-2.0	-124.59	308.39	4.57	-120.02
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300007869276	1	40	-2.0	-135.88	356.69	5.34	-130.54
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007869277	0	33	-2.0	-125.62	307.30	2.76	-122.86
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300007869278	0	36	-2.0	-118.13	324.19	4.26	-113.87
C=CCOC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007869279	0	39	-2.0	-134.98	363.33	6.66	-128.32
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007869279	1	38	-3.0	-202.99	356.79	6.79	-196.20
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2COC)=C1	REAL300007869280	1	43	-2.0	-106.31	376.42	5.87	-100.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300007869281	0	35	-2.0	-105.31	326.90	3.87	-101.44
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007869283	0	33	-2.0	-97.34	329.58	4.48	-92.86
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300007869284	1	42	-2.0	-100.76	365.91	8.00	-92.76
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OCC)=C1	REAL300007869285	0	43	-2.0	-114.72	379.91	6.54	-108.18
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300007869286	1	40	-2.0	-135.82	356.72	5.30	-130.52
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=C1	REAL300007869287	1	35	-2.0	-106.64	325.98	4.04	-102.60
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300007869288	0	33	-2.0	-98.44	313.40	2.07	-96.37
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300007869289	0	36	-2.0	-102.94	331.45	3.56	-99.38
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)=C1	REAL300007869290	1	42	-2.0	-95.27	375.82	8.07	-87.20
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=C1	REAL300007869293	0	36	-2.0	-105.01	341.19	5.54	-99.47
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300007869294	1	42	-2.0	-139.26	366.04	8.84	-130.42
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300007869295	1	39	-2.0	-131.88	341.40	6.87	-125.01
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=C1	REAL300007869296	0	36	-2.0	-92.80	359.65	6.41	-86.39
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=C1	REAL300007869297	0	39	-2.0	-129.97	357.89	4.40	-125.57
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=C1	REAL300007869298	0	39	-2.0	-100.42	357.99	7.01	-93.41
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300007869301	0	33	-2.0	-98.44	313.40	2.07	-96.37
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007869303	0	33	-2.0	-125.62	307.30	2.76	-122.86
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007869304	0	33	-2.0	-118.60	330.78	6.13	-112.47
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=C1	REAL300007869306	0	38	-2.0	-97.78	342.31	4.58	-93.20
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300007869307	1	39	-2.0	-131.88	341.40	6.87	-125.01
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OCC)C(C(=O)[O-])=C2)=C1	REAL300007869308	1	43	-2.0	-115.31	379.07	6.80	-108.51
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300007869309	1	43	-2.0	-107.28	375.36	7.71	-99.57
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=C1	REAL300007869310	0	35	-2.0	-122.83	315.87	4.78	-118.05
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)=C1	REAL300007869311	1	41	-2.0	-96.59	371.68	6.21	-90.38
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=C(Cl)C=CC=C32)C=C1C(=O)[O-]	REAL300007869527	0	38	-2.0	-134.82	355.63	7.71	-127.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=C(Cl)C=CC=C32)=C1	REAL300007869531	1	32	-2.0	-94.95	331.92	5.05	-89.90
CC1=CC=C2C(=C1)CCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007869821	0	41	-2.0	-138.43	363.18	7.83	-130.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007870032	0	39	-2.0	-135.44	348.41	7.03	-128.41
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C)O1	REAL300007870227	0	41	-2.0	-134.29	349.82	5.76	-128.53
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300007870739	0	43	-2.0	-135.15	377.74	7.83	-127.32
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC(F)=C1	REAL300007870743	1	37	-2.0	-93.65	350.91	5.20	-88.45
CSCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007870845	0	37	-2.0	-137.43	341.22	6.81	-130.62
CSCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007870949	0	37	-2.0	-136.50	349.35	5.81	-130.69
CSCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007870953	1	31	-2.0	-93.64	319.89	3.13	-90.51
CSCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007871029	0	34	-2.0	-135.70	322.87	4.87	-130.83
CSCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007871032	1	28	-2.0	-95.49	292.72	2.46	-93.03
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1F	REAL300007871088	1	33	-2.0	-114.62	320.03	4.67	-109.95
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1F	REAL300007871124	0	40	-2.0	-142.09	372.91	7.75	-134.34
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3F)CC2)C=C1C(=O)[O-]	REAL300007871397	0	38	-2.0	-135.61	349.26	7.38	-128.23
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3F)CC2)=C1	REAL300007871401	1	32	-2.0	-98.69	324.76	4.71	-93.98
CC(CCC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007871517	0	45	-2.0	-134.59	376.13	6.90	-127.69
CC(CCC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007871521	1	39	-2.0	-94.80	345.75	4.52	-90.28
CC1=CC=C(CC(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007871800	0	40	-2.0	-137.12	371.82	7.33	-129.79
CC1=CC=C(CC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)S1	REAL300007871804	1	34	-2.0	-95.05	341.30	4.93	-90.12
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2=CC=CC=C2)C2CC2)C=C1C(=O)[O-]	REAL300007872001	0	44	-2.0	-142.86	392.34	8.96	-133.90
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C2CC2)=C1	REAL300007872005	1	38	-2.0	-96.21	362.75	6.52	-89.69
CC(C)CC1CCCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007872210	0	49	-2.0	-139.89	376.97	9.07	-130.82
CCC(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007872345	0	39	-2.0	-135.30	331.04	5.52	-129.78
CCC(C)C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007872347	1	33	-2.0	-94.17	300.74	3.11	-91.06
CCCC(O)(CCC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007872455	0	46	-2.0	-136.32	387.12	4.37	-131.95
CCCC(O)(CCC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007872459	1	40	-2.0	-96.76	358.80	1.62	-95.14
CC1=NOC(C)=C1CC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007872573	0	42	-2.0	-154.00	375.88	6.34	-147.66
CC1=NOC(C)=C1CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007872577	1	36	-2.0	-93.77	346.22	3.82	-89.95
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3Cl)CC2)=C1	REAL300007872670	1	35	-2.0	-95.65	353.73	5.74	-89.91
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCCCO2)C=C1C(=O)[O-]	REAL300007872775	0	41	-2.0	-134.74	357.61	4.93	-129.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCCCO2)=C1	REAL300007872779	1	35	-2.0	-97.48	328.17	2.26	-95.22
CC1(C)CC([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300007872843	1	38	-2.0	-125.87	333.68	4.02	-121.85
COC1=CC=CC(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007872964	1	41	-2.0	-97.21	373.99	4.44	-92.77
CC1=C(C)SC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007873022	1	29	-2.0	-128.42	296.20	1.37	-127.05
CC1=C(C)SC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007873068	0	36	-2.0	-139.68	346.98	4.46	-135.22
CC1=C(C)SC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007873072	1	30	-2.0	-98.17	317.55	1.78	-96.39
CN(CCC1CCOCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007873188	0	44	-2.0	-134.87	374.54	6.47	-128.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300007873308	0	42	-2.0	-134.42	353.08	6.26	-128.16
CC1=NC(C)=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007873382	1	29	-2.0	-121.15	296.98	1.40	-119.75
CC1=NC(C)=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007873428	0	36	-2.0	-134.45	347.77	4.50	-129.95
CSCC(C)(O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007873549	0	38	-2.0	-136.09	352.96	2.36	-133.73
CSCC(C)(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007873553	1	32	-2.0	-95.36	325.35	-0.29	-95.65
CCC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC(C)=CS1	REAL300007873625	1	35	-2.0	-122.74	319.91	2.77	-119.97
CCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC(C)=CS1	REAL300007873663	0	42	-2.0	-140.76	366.58	5.09	-135.67
CCC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007873778	0	40	-2.0	-135.05	357.37	7.35	-127.70
CC(C)CCC(C)(O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007873983	0	46	-2.0	-134.94	388.83	3.96	-130.98
CC(C)CCC(C)(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007873987	1	40	-2.0	-95.30	361.05	1.35	-93.95
CCC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC=CS1	REAL300007874306	1	32	-2.0	-113.88	303.15	2.43	-111.45
CCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC=CS1	REAL300007874350	0	39	-2.0	-134.17	347.63	4.91	-129.26
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=NC=C(C2=CC=CC=C2)O1	REAL300007874411	1	37	-2.0	-104.35	348.81	2.12	-102.23
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC=C(C2=CC=CC=C2)O1	REAL300007874415	0	36	-2.0	-126.31	342.11	2.20	-124.11
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=NC=C(C2=CC=CC=C2)O1	REAL300007874416	1	36	-2.0	-130.06	345.38	1.72	-128.34
CC([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=NC=C(C2=CC=CC=C2)O1	REAL300007874432	1	37	-2.0	-126.26	341.01	2.82	-123.44
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NC=C(C2=CC=CC=C2)O1	REAL300007874438	1	37	-2.0	-99.97	363.46	2.66	-97.31
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300007874581	0	40	-2.0	-142.47	370.89	7.33	-135.14
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC3=CC=CC=C3O2)=C1	REAL300007874585	1	34	-2.0	-97.87	341.45	4.64	-93.23
CCOC1CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(C)C	REAL300007874768	0	47	-2.0	-138.85	386.52	6.90	-131.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC(Cl)=C3)CC2)C=C1C(=O)[O-]	REAL300007874867	0	38	-2.0	-134.31	357.15	7.61	-126.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC(Cl)=C3)CC2)=C1	REAL300007874869	1	32	-2.0	-94.63	332.20	5.38	-89.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC(F)=C3)CC2)C=C1C(=O)[O-]	REAL300007874962	0	38	-2.0	-138.68	346.85	7.21	-131.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC(F)=C3)CC2)=C1	REAL300007874964	1	32	-2.0	-94.13	321.87	4.94	-89.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCCCC3C2)C=C1C(=O)[O-]	REAL300007875164	0	44	-2.0	-138.23	362.82	8.30	-129.93
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CS1	REAL300007875238	1	27	-2.0	-118.55	276.78	2.86	-115.69
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CS1	REAL300007875285	0	34	-2.0	-133.19	327.30	5.72	-127.47
COC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007875401	0	41	-2.0	-136.05	371.32	6.18	-129.87
COC1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007875405	1	35	-2.0	-101.15	341.89	3.49	-97.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCN2C=CC3=CC=CC=C32)=C1	REAL300007875507	1	38	-2.0	-96.21	367.88	6.13	-90.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2=CC=CS2)C=C1C(=O)[O-]	REAL300007875840	0	38	-2.0	-136.12	354.67	8.06	-128.06
CN(CC1=CC2=CC=CC=C2C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007875947	0	43	-2.0	-137.65	383.92	10.24	-127.41
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CS2)C=C1C(=O)[O-]	REAL300007876062	0	34	-2.0	-136.19	333.24	5.91	-130.28
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CS2)=C1	REAL300007876066	1	28	-2.0	-94.64	303.79	3.22	-91.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300007876249	0	41	-2.0	-137.02	361.04	7.68	-129.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC=CC=C3C2)=C1	REAL300007876253	1	35	-2.0	-99.45	328.77	5.19	-94.26
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300007876367	0	37	-2.0	-134.63	359.75	7.33	-127.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC(Cl)=C2)=C1	REAL300007876371	1	31	-2.0	-94.37	330.30	4.64	-89.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2F)C=C1C(=O)[O-]	REAL300007876592	0	37	-2.0	-139.76	348.59	6.87	-132.89
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC=C2F)=C1	REAL300007876596	1	31	-2.0	-99.44	319.13	4.16	-95.28
CN(CC1=CC=C(Cl)S1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007876707	0	34	-2.0	-136.35	347.22	7.69	-128.66
CN(C1CCCC2=CC=CC=C21)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007876820	0	44	-2.0	-140.82	369.63	9.51	-131.31
CCC(C)N(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007877049	0	46	-2.0	-144.83	382.66	9.61	-135.22
CCCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007877300	0	43	-2.0	-138.77	382.93	8.39	-130.38
CCCN(CC1=CC=C(C)C=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007877406	0	46	-2.0	-137.99	398.81	10.22	-127.77
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)C=C1C(=O)[O-]	REAL300007877607	0	45	-2.0	-137.38	358.58	7.51	-129.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CC4CC(C3)CC2C4)=C1	REAL300007877611	1	39	-2.0	-99.46	327.26	5.10	-94.36
CC(C1=CC=CC=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007877727	0	40	-2.0	-140.16	349.15	8.15	-132.01
CC(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007877838	0	46	-2.0	-138.55	397.34	8.57	-129.98
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(OC)C=C1	REAL300007877949	0	44	-2.0	-139.77	390.35	6.85	-132.92
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2=CC=C(Cl)C=C2)C2CC2)=C1	REAL300007878045	1	35	-2.0	-93.44	360.37	6.22	-87.22
CC(CCC1=CC=CO1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007878183	0	40	-2.0	-137.77	361.58	6.36	-131.41
CC(CCC1=CC=CO1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007878187	1	34	-2.0	-94.71	331.18	3.96	-90.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(OC(F)F)C=C2)=C1	REAL300007878296	1	32	-2.0	-97.46	331.33	2.91	-94.55
CC1=CC=CC(OCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007878403	0	41	-2.0	-141.17	372.57	6.35	-134.82
CC1=CC=CC(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007878407	1	35	-2.0	-98.79	343.37	3.65	-95.14
CN(CC1=CN(C)N=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007878516	0	37	-2.0	-144.90	336.01	5.37	-139.53
C=CCN(CC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007878628	0	38	-2.0	-137.62	363.43	8.50	-129.12
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CN=C1	REAL300007878695	1	29	-2.0	-121.15	280.69	2.08	-119.07
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CN=C1	REAL300007878740	0	36	-2.0	-134.68	330.45	4.83	-129.85
COCCN(CC1=CC=CS1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007878840	0	41	-2.0	-138.09	379.97	7.12	-130.97
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300007878942	0	38	-2.0	-135.20	367.91	6.20	-129.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2=CC=C(Cl)C=C2)=C1	REAL300007878946	1	32	-2.0	-94.55	338.70	3.49	-91.06
CN(CC1=CC=C2OCOC2=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007879209	0	40	-2.0	-136.16	362.42	6.64	-129.52
O=C([O-])C1=CC=C(S(=O)(=O)N(C2CC2)C2CCCCC2)C=C1C(=O)[O-]	REAL300007879556	0	44	-2.0	-135.40	358.12	8.81	-126.59
CC1CCCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007879711	0	43	-2.0	-134.42	363.92	7.00	-127.42
CC1CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007879715	1	37	-2.0	-95.54	336.08	4.32	-91.22
CC1CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007879829	0	43	-2.0	-133.84	358.08	6.80	-127.04
CC1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007879833	1	37	-2.0	-95.69	329.05	4.10	-91.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOC3=CC=C(F)C=C32)=C1	REAL300007879968	1	36	-2.0	-96.25	340.06	4.50	-91.75
COC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300007880145	0	41	-2.0	-134.58	371.10	6.08	-128.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCOC3=C(Cl)C=CC=C32)=C1	REAL300007880243	1	33	-2.0	-93.80	338.44	3.93	-89.87
COC1=CC=C(OC)C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007880330	1	39	-2.0	-102.31	371.36	2.76	-99.55
CC(C)C1CCC(C)CC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007880520	0	49	-2.0	-137.36	387.11	7.94	-129.42
CC(C)C1CCC(C)CC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007880524	1	43	-2.0	-94.96	357.43	6.08	-88.88
CC1=CC=C(CN(C(C)C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007880628	0	43	-2.0	-141.68	370.79	8.33	-133.35
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3CCCC32)C=C1C(=O)[O-]	REAL300007880736	0	41	-2.0	-140.61	336.09	7.56	-133.05
CC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007880948	0	40	-2.0	-137.04	357.80	8.65	-128.39
CC1=CC=CC(OCC(O)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007881138	1	39	-2.0	-97.45	375.86	1.29	-96.16
CN(CCC(F)(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007881243	0	33	-2.0	-136.76	318.68	5.98	-130.78
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007881444	0	44	-2.0	-141.11	394.91	10.07	-131.04
CCOC1=CC2=C(C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])OC(C)C2	REAL300007881559	1	42	-2.0	-131.61	378.04	3.80	-127.81
COCCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007881663	0	38	-2.0	-141.31	350.46	2.36	-138.95
COCCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007881667	1	32	-2.0	-98.52	321.24	-0.35	-98.87
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C	REAL300007881730	0	39	-2.0	-135.88	333.94	5.76	-130.12
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)C	REAL300007881732	1	33	-2.0	-93.84	308.11	3.36	-90.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300007881899	1	31	-2.0	-91.23	347.03	5.14	-86.09
CN(CC(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007881954	0	30	-2.0	-141.39	282.17	4.82	-136.57
CCCCC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007882054	0	49	-2.0	-138.97	402.53	8.30	-130.67
CCCCC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007882058	1	43	-2.0	-95.98	368.35	6.18	-89.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2)C=C1C(=O)[O-]	REAL300007882164	0	35	-2.0	-136.26	316.40	6.57	-129.69
CS(=O)(=O)N1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007882260	1	36	-2.0	-104.37	344.39	-0.47	-104.84
CC(C)C1=CC=CC(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007882362	0	43	-2.0	-136.52	376.55	9.43	-127.09
CC(C)(C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007882523	0	42	-2.0	-134.25	359.84	6.26	-127.99
CC(C)(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007882527	1	36	-2.0	-94.29	330.39	3.58	-90.71
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC(F)=C3)CC2)C=C1C(=O)[O-]	REAL300007882628	0	41	-2.0	-135.99	377.95	8.09	-127.90
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC(F)=C3)CC2)=C1	REAL300007882632	1	35	-2.0	-96.28	348.98	5.41	-90.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC(Cl)=C3)CC2)=C1	REAL300007882724	1	35	-2.0	-95.59	359.30	5.85	-89.74
COC1=CC=C(C(C)CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007882905	1	41	-2.0	-95.87	378.83	4.55	-91.32
CC(C)CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007882956	1	39	-2.0	-119.67	359.69	6.20	-113.47
CC(C)N(C1CCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007883062	0	40	-2.0	-137.98	330.30	7.15	-130.83
CC(O)CC(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007883163	0	40	-2.0	-138.77	352.02	2.63	-136.14
CC(O)CC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007883167	1	34	-2.0	-98.11	323.33	-0.05	-98.16
CC1CC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007883229	0	37	-2.0	-135.80	321.02	6.22	-129.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCC2CCOCC2)=C1	REAL300007883319	1	42	-2.0	-94.51	383.50	2.14	-92.37
O=C([O-])C1=CC=C(S(=O)(=O)NCCCOCC2CCOC2)C=C1C(=O)[O-]	REAL300007883424	0	45	-2.0	-137.83	394.75	4.02	-133.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCOCC2CCOC2)=C1	REAL300007883428	1	39	-2.0	-95.16	365.29	1.33	-93.83
CC1=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007883539	0	43	-2.0	-136.88	385.84	8.14	-128.74
CC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC(C)=C1	REAL300007883543	1	37	-2.0	-97.09	356.39	5.45	-91.64
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007883847	1	33	-2.0	-119.16	319.85	4.67	-114.49
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC(F)=CC=C1F	REAL300007883883	0	40	-2.0	-136.87	365.25	7.55	-129.32
CS(=O)(=O)C1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007883981	1	37	-2.0	-109.63	349.22	0.41	-109.22
CC(O)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CSC=C1	REAL300007884082	0	38	-2.0	-134.82	357.13	3.08	-131.74
CC(O)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CSC=C1	REAL300007884086	1	32	-2.0	-95.63	329.06	0.44	-95.19
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CC2)C=C1C(=O)[O-]	REAL300007884200	0	41	-2.0	-145.00	350.28	8.61	-136.39
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)(C)C1=CC=CC=C1	REAL300007884448	1	43	-2.0	-96.88	368.14	6.34	-90.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(C3=CC=C(F)C=C3)C2)=C1	REAL300007884536	1	38	-2.0	-94.10	354.94	6.07	-88.03
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC1	REAL300007884723	0	38	-2.0	-133.22	344.08	4.34	-128.88
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CC1	REAL300007884727	1	32	-2.0	-95.52	314.78	2.06	-93.46
CC(C)C1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007884818	0	40	-2.0	-133.98	348.17	6.25	-127.73
CC(C)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007884821	1	34	-2.0	-96.19	318.73	3.59	-92.60
COC1=CC(C)=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007884926	0	41	-2.0	-135.84	372.44	5.99	-129.85
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007885046	0	40	-2.0	-135.52	358.10	7.34	-128.18
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007885050	1	34	-2.0	-96.19	330.25	4.67	-91.52
CCOCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)C	REAL300007885163	0	43	-2.0	-133.40	372.30	5.07	-128.33
CCOCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)C	REAL300007885167	1	37	-2.0	-96.88	344.61	2.63	-94.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300007885279	0	35	-2.0	-133.42	330.81	6.87	-126.55
CCC1(O)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007885399	0	41	-2.0	-135.13	345.47	4.20	-130.93
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCOC2)C=C1C(=O)[O-]	REAL300007885467	0	32	-2.0	-137.88	297.17	2.49	-135.39
CC1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])N=CO1	REAL300007885509	0	26	-2.0	-128.97	265.86	-1.71	-130.68
CC1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)N=CO1	REAL300007885510	1	26	-2.0	-127.10	268.01	-2.24	-129.34
CC1=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)N=CO1	REAL300007885551	0	33	-2.0	-138.08	316.66	1.38	-136.70
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)N=CO1	REAL300007885554	1	27	-2.0	-98.77	287.21	-1.32	-100.09
CC1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)N=CO1	REAL300007885568	1	27	-2.0	-121.96	288.42	0.45	-121.51
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCOCC1	REAL300007885661	0	41	-2.0	-134.66	345.02	4.37	-130.29
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCOCC1	REAL300007885665	1	35	-2.0	-95.96	317.28	2.20	-93.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3(CCC3)C2)C=C1C(=O)[O-]	REAL300007885779	0	39	-2.0	-134.27	337.28	5.48	-128.79
CCC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007885897	0	41	-2.0	-135.78	345.01	5.66	-130.12
O=C([O-])CN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C=N1	REAL300007885937	1	37	-2.0	-96.53	347.98	4.95	-91.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)S1	REAL300007885938	1	34	-2.0	-92.86	335.66	5.94	-86.92
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885939	0	34	-2.0	-116.69	319.50	3.87	-112.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)O1	REAL300007885941	0	34	-2.0	-97.07	328.16	5.19	-91.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)O1	REAL300007885942	0	37	-2.0	-98.41	346.40	5.66	-92.75
O=C([O-])CCCS(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885943	0	36	-2.0	-94.24	337.56	5.29	-88.95
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C=C1	REAL300007885944	0	40	-2.0	-91.80	375.53	7.39	-84.41
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885945	0	40	-2.0	-98.58	375.12	7.39	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)O1	REAL300007885946	0	34	-2.0	-97.07	328.16	5.19	-91.88
O=C([O-])CCCS(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885947	0	36	-2.0	-94.24	337.56	5.29	-88.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885948	0	34	-2.0	-97.07	336.58	5.85	-91.22
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885953	0	34	-2.0	-96.34	328.41	4.93	-91.41
CC1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007885955	1	37	-2.0	-98.21	346.43	5.97	-92.24
O=C([O-])C1=CN=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885956	1	36	-2.0	-94.38	338.58	5.02	-89.36
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885957	0	33	-2.0	-116.60	320.06	4.93	-111.67
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)SC=N1	REAL300007885958	0	33	-2.0	-117.12	324.98	4.53	-112.59
O=C([O-])CCCCCS(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885960	0	42	-2.0	-90.51	380.55	6.86	-83.65
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C=C1	REAL300007885964	0	40	-2.0	-91.80	375.53	7.39	-84.41
O=C([O-])CC1(CS(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)CC1	REAL300007885967	0	40	-2.0	-100.78	362.00	6.55	-94.23
CCC1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007885969	1	40	-2.0	-98.03	353.05	6.44	-91.59
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885972	0	37	-2.0	-100.33	346.14	5.79	-94.54
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)OC=C1	REAL300007885973	0	34	-2.0	-116.26	320.61	5.67	-110.59
O=C([O-])C1(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)CCC1	REAL300007885974	0	37	-2.0	-106.01	328.09	5.86	-100.15
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885975	0	34	-2.0	-116.69	319.50	3.87	-112.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=C1	REAL300007885977	0	34	-2.0	-92.30	343.06	5.47	-86.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=NN1	REAL300007885978	0	34	-2.0	-93.23	327.06	3.06	-90.17
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C1	REAL300007885980	0	37	-2.0	-96.29	341.93	5.79	-90.50
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)C1	REAL300007885981	0	40	-2.0	-95.81	357.64	6.33	-89.48
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)S1	REAL300007885982	1	37	-2.0	-98.73	354.68	6.55	-92.18
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885984	0	37	-2.0	-95.23	348.40	5.98	-89.25
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(F)(F)F)=NN1	REAL300007885985	0	34	-2.0	-93.23	327.06	3.06	-90.17
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885986	0	37	-2.0	-113.67	332.16	6.40	-107.27
O=C([O-])C1=CC=NC=C1S(=O)(=O)[N-]C(CC1=CC=CC=C1)C(F)(F)F	REAL300007885989	1	36	-2.0	-113.25	326.01	5.72	-107.53
CC1=NN(C(C)(C)C)C=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007886027	1	42	-2.0	-124.64	369.22	4.17	-120.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCOCC2)C=C1C(=O)[O-]	REAL300007886149	0	38	-2.0	-138.06	323.50	3.51	-134.55
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCOCC2)=C1	REAL300007886153	1	32	-2.0	-93.59	292.44	1.11	-92.48
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007886205	0	34	-2.0	-133.84	314.24	5.12	-128.72
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(N3C=CN=N3)C2)C=C1C(=O)[O-]	REAL300007886303	0	40	-2.0	-144.04	354.25	5.48	-138.56
CCC1=CC=C(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007886494	1	43	-2.0	-97.32	387.39	6.58	-90.74
CC(C)CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007886598	0	46	-2.0	-137.07	364.59	8.26	-128.81
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOCC1	REAL300007886704	0	38	-2.0	-135.06	314.74	3.57	-131.49
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOCC1	REAL300007886708	1	32	-2.0	-91.81	294.18	1.62	-90.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3C3(CC3)C2)C=C1C(=O)[O-]	REAL300007886813	0	42	-2.0	-135.50	366.22	9.28	-126.22
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NC=CS1	REAL300007886964	0	39	-2.0	-137.14	359.35	6.68	-130.46
CCN(CC(F)F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007887052	0	33	-2.0	-138.43	307.42	6.03	-132.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOCC2C2CC2)C=C1C(=O)[O-]	REAL300007887158	0	39	-2.0	-135.73	325.01	5.42	-130.31
CCCC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007887276	0	43	-2.0	-137.26	347.09	7.80	-129.46
COC1=CC=CC2=C1CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007887387	0	42	-2.0	-136.75	367.21	7.51	-129.24
CCC(C)CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007887649	1	39	-2.0	-130.28	341.85	5.73	-124.55
CCC(C)CC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007887790	1	41	-2.0	-135.41	356.12	6.16	-129.25
CCC(C)CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007887843	1	39	-2.0	-115.95	342.92	4.28	-111.67
CCC(C)CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007887846	1	39	-2.0	-137.25	335.45	5.66	-131.59
CCC(C)CC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007887895	1	37	-2.0	-118.27	317.26	2.08	-116.19
CCC(C)CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007887931	0	38	-2.0	-146.96	339.16	3.60	-143.36
CCC(C)CC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007888042	1	45	-2.0	-148.62	386.24	3.66	-144.96
CCC(C)CC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300007888055	1	38	-2.0	-133.71	326.61	2.14	-131.57
CCC(C)CC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007888066	1	40	-2.0	-141.00	343.75	4.83	-136.17
O=C([O-])C1=CC=C(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)C=C1C(=O)[O-]	REAL300007888296	0	41	-2.0	-136.20	334.92	7.67	-128.53
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300007888407	0	40	-2.0	-147.41	358.06	6.72	-140.69
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC(F)C2)C=C1C(=O)[O-]	REAL300007888540	0	37	-2.0	-136.59	325.20	5.51	-131.08
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC(F)C2)=C1	REAL300007888544	0	31	-2.0	-93.45	296.39	3.18	-90.27
CN1C=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300007888652	0	36	-2.0	-152.32	339.81	3.30	-149.02
CN1C=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)N=N1	REAL300007888656	1	30	-2.0	-103.47	310.35	0.60	-102.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CSC3=CC=CC=C3O2)=C1	REAL300007888752	1	34	-2.0	-98.03	345.91	3.91	-94.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300007888827	1	31	-2.0	-90.32	331.68	2.44	-87.88
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@H]2C[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007888944	0	41	-2.0	-135.56	370.68	8.15	-127.41
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C2=CC=CC=C2)=C1	REAL300007888948	1	35	-2.0	-96.11	341.24	5.48	-90.63
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007889064	0	41	-2.0	-136.64	370.47	8.15	-128.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300007889068	1	35	-2.0	-96.05	341.23	5.48	-90.57
CC(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)CC(F)F	REAL300007889134	1	29	-2.0	-119.60	284.31	1.74	-117.86
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC(F)F	REAL300007889177	0	36	-2.0	-137.72	330.24	5.35	-132.37
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC(F)F	REAL300007889181	0	30	-2.0	-92.44	302.39	2.68	-89.76
CC(C)[C@@H]1CCO[C@@H]1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007889362	0	44	-2.0	-136.85	364.73	4.71	-132.14
CC(C)[C@@H]1CCO[C@@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007889366	1	38	-2.0	-100.89	335.95	2.02	-98.87
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2CCCC(F)C2)=C1	REAL300007889432	1	34	-2.0	-100.40	306.96	3.26	-97.14
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCC(F)C2)C=C1C(=O)[O-]	REAL300007889482	0	40	-2.0	-133.87	349.05	6.44	-127.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC(F)C2)=C1	REAL300007889486	0	34	-2.0	-97.06	320.02	3.75	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=CC=C3Cl)CC2)C=C1C(=O)[O-]	REAL300007889590	0	38	-2.0	-134.82	356.53	7.91	-126.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3Cl)CC2)=C1	REAL300007889594	1	32	-2.0	-96.84	332.95	5.03	-91.81
COCC1(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007889707	0	41	-2.0	-135.19	367.30	4.91	-130.28
COCC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007889711	1	35	-2.0	-97.41	338.08	2.21	-95.20
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCC2CCC2)C=C1C(=O)[O-]	REAL300007889825	0	41	-2.0	-135.33	365.05	5.22	-130.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCC2CCC2)=C1	REAL300007889829	1	35	-2.0	-97.48	335.85	2.50	-94.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC2CC3)C=C1C(=O)[O-]	REAL300007889942	0	44	-2.0	-135.85	361.81	7.11	-128.74
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CCC2CC3)=C1	REAL300007889946	1	38	-2.0	-97.33	333.04	4.43	-92.90
CN1C=NC(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007890062	0	39	-2.0	-143.14	362.16	5.85	-137.29
CN1C=NC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007890066	1	33	-2.0	-102.98	332.70	3.17	-99.81
CC1=CC=C([C@@H]2C[C@H]2NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007890182	0	41	-2.0	-137.51	371.79	8.09	-129.42
CC1=CC=C([C@@H]2C[C@H]2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007890186	1	35	-2.0	-96.72	341.53	5.48	-91.24
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCCCC3)CC2)C=C1C(=O)[O-]	REAL300007890294	0	50	-2.0	-138.99	398.46	9.60	-129.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(CN3C=NN=C3)CC2)C=C1C(=O)[O-]	REAL300007890400	0	43	-2.0	-139.55	374.75	9.47	-130.08
COCC1=NN=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCN12	REAL300007890504	0	41	-2.0	-139.00	368.68	5.44	-133.56
CS[C@@H]1CCCC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007890706	0	41	-2.0	-138.33	361.33	6.57	-131.76
CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007890710	1	35	-2.0	-99.76	330.90	4.17	-95.59
CC(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007890781	0	39	-2.0	-135.95	316.43	5.06	-130.89
CC(C)C(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007890783	1	33	-2.0	-94.19	294.25	3.03	-91.16
CS(=O)(=O)N1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007890967	0	39	-2.0	-139.15	364.14	1.14	-138.01
CS(=O)(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007890971	1	33	-2.0	-103.90	330.17	-1.28	-105.18
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007892062	0	41	-2.0	-138.22	343.28	5.49	-132.73
CC1(C)CC([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC(F)=CC=C2O1	REAL300007892126	1	38	-2.0	-127.54	340.10	4.09	-123.45
CO[C@@H]1CCCC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007892252	0	41	-2.0	-138.50	352.72	4.52	-133.98
CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007892256	1	35	-2.0	-99.40	322.29	2.12	-97.28
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=C3SC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300007892483	0	37	-2.0	-138.13	357.77	7.38	-130.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C3SC=CC3=CC=C2)=C1	REAL300007892487	1	31	-2.0	-100.90	328.31	4.66	-96.24
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3F)CCC2)=C1	REAL300007892585	1	38	-2.0	-97.94	358.78	5.67	-92.27
CC1=CC=C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007893013	0	41	-2.0	-135.42	365.44	7.81	-127.61
CCN1C=C(CN(C(C)C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300007893125	0	46	-2.0	-141.46	392.94	7.56	-133.90
CC1=C(Br)C=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007893818	1	30	-2.0	-118.72	302.16	3.98	-114.74
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2CC2)C=C1C(=O)[O-]	REAL300007893894	0	37	-2.0	-134.18	336.21	6.14	-128.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2CC2)=C1	REAL300007893896	1	31	-2.0	-93.76	306.77	3.46	-90.30
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)N1C[C@@H](C)O[C@@H](C)C1	REAL300007894100	1	43	-2.0	-96.60	375.99	0.82	-95.78
C=CCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007894309	0	40	-2.0	-134.85	360.42	6.70	-128.15
C=CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007894312	1	34	-2.0	-93.57	330.96	4.02	-89.55
CC1=CN=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007894417	0	42	-2.0	-140.38	375.61	6.10	-134.28
CC1=CN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007894421	1	36	-2.0	-100.14	346.17	3.42	-96.72
COC1=C(C)C=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007894491	1	34	-2.0	-129.89	320.65	3.05	-126.84
COC1=C(C)C=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007894535	0	41	-2.0	-135.00	369.14	6.05	-128.95
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=N1	REAL300007894573	1	35	-2.0	-129.70	329.64	2.29	-127.41
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=N1	REAL300007894578	1	38	-2.0	-104.34	350.36	0.64	-103.70
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300007894579	1	35	-2.0	-101.03	338.05	1.64	-99.39
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007894580	1	35	-2.0	-127.16	321.88	-0.47	-127.63
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=N1	REAL300007894584	1	38	-2.0	-128.35	352.90	3.94	-124.41
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007894585	1	35	-2.0	-104.95	330.53	0.87	-104.08
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007894592	1	35	-2.0	-104.95	330.53	0.87	-104.08
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300007894595	1	35	-2.0	-105.18	338.96	1.53	-103.65
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300007894599	1	35	-2.0	-106.58	337.42	1.54	-105.04
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007894601	1	41	-2.0	-135.35	373.32	4.83	-130.52
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007894604	0	35	-2.0	-104.92	330.78	0.61	-104.31
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=N1	REAL300007894607	1	37	-2.0	-101.45	340.96	0.70	-100.75
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007894608	0	34	-2.0	-129.56	324.09	0.76	-128.80
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007894609	0	34	-2.0	-127.05	326.25	0.23	-126.82
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=N1	REAL300007894610	1	37	-2.0	-136.69	333.03	1.69	-135.00
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=N1	REAL300007894612	1	37	-2.0	-99.99	341.66	0.71	-99.28
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007894613	1	38	-2.0	-103.25	362.51	3.00	-100.25
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007894619	1	38	-2.0	-103.25	362.51	3.00	-100.25
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300007894634	1	40	-2.0	-121.91	364.37	4.09	-117.82
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007894636	0	40	-2.0	-120.49	364.35	4.09	-116.40
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300007894641	1	41	-2.0	-101.06	373.40	3.32	-97.74
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007894647	0	35	-2.0	-126.39	322.99	1.35	-125.04
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007894650	1	35	-2.0	-127.16	321.88	-0.47	-127.63
CC(C)(C)N1N=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007894652	0	41	-2.0	-138.29	374.89	3.83	-134.46
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300007894654	1	37	-2.0	-109.56	342.00	0.62	-108.94
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007894656	0	35	-2.0	-100.04	345.43	1.15	-98.89
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=N1	REAL300007894660	1	37	-2.0	-110.07	341.85	0.73	-109.34
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007894661	1	35	-2.0	-100.98	329.42	-1.26	-102.24
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=N1	REAL300007894669	1	41	-2.0	-130.49	372.14	1.13	-129.36
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=N1	REAL300007894670	1	41	-2.0	-102.87	373.85	3.70	-99.17
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)=N1	REAL300007894673	1	35	-2.0	-100.98	329.42	-1.26	-102.24
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007894675	1	35	-2.0	-127.16	321.88	-0.47	-127.63
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007894676	0	35	-2.0	-122.43	346.65	2.92	-119.51
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])=N1	REAL300007894682	1	37	-2.0	-126.67	331.73	1.63	-125.04
COCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007894756	0	38	-2.0	-137.52	345.95	4.30	-133.22
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007894760	1	32	-2.0	-98.02	312.91	2.61	-95.41
CCC(C)(C)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007895083	0	48	-2.0	-136.65	379.64	5.65	-131.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(OC3CCC3)C2)C=C1C(=O)[O-]	REAL300007895199	0	45	-2.0	-134.56	382.19	7.36	-127.20
CN1C=NN=C1N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007895309	0	42	-2.0	-146.70	366.93	7.88	-138.82
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(F)(F)C2)C=C1C(=O)[O-]	REAL300007895415	0	34	-2.0	-136.46	312.38	6.14	-130.32
CC(C)OC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007895534	0	44	-2.0	-134.17	375.89	6.73	-127.44
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2(CCC2)CO1	REAL300007895822	0	42	-2.0	-135.39	345.08	6.23	-129.16
CCC1COC(C)(C)CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007895942	0	44	-2.0	-135.01	351.75	5.98	-129.03
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(CC)CO1	REAL300007896062	0	44	-2.0	-135.15	360.41	6.32	-128.83
CN1N=NC2=C1CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007896180	0	40	-2.0	-142.87	357.00	4.03	-138.84
CN1N=NC2=C1CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300007896184	1	34	-2.0	-103.92	324.81	1.54	-102.38
COCC(CC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007896299	0	46	-2.0	-135.89	379.60	5.72	-130.17
COCC(CC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007896303	1	40	-2.0	-95.71	354.17	3.43	-92.28
CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007896397	1	44	-2.0	-95.58	373.77	3.27	-92.31
CC(CC1=CC=CC=N1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007896502	0	39	-2.0	-138.27	353.89	5.64	-132.63
CC(CC1=CC=CC=N1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007896506	1	33	-2.0	-103.45	322.06	3.68	-99.77
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC(C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300007896617	0	47	-2.0	-135.56	392.53	8.19	-127.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC(C3CCCCC3)C2)=C1	REAL300007896621	1	41	-2.0	-95.61	362.91	5.62	-89.99
CC(C)(C)O[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007896736	0	44	-2.0	-137.13	379.80	5.50	-131.63
CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007896740	1	38	-2.0	-93.92	348.54	2.94	-90.98
COC1(CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])CCC1	REAL300007896897	1	41	-2.0	-132.70	356.44	4.89	-127.81
CCN1C=C(S(=O)(=O)[N-]C(CC2(OC)CCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007897023	1	43	-2.0	-140.80	373.45	4.91	-135.89
COC1(CC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C(=O)[O-])CCC1	REAL300007897069	1	41	-2.0	-134.46	359.84	3.23	-131.23
COC1(CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])CCC1	REAL300007897072	1	41	-2.0	-141.03	351.95	4.73	-136.30
COC1(CC([N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])CCC1	REAL300007897122	1	39	-2.0	-124.22	329.72	1.70	-122.52
COC1(CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])CCC1	REAL300007897150	0	40	-2.0	-150.26	347.19	3.14	-147.12
COC1(CC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C(=O)[O-])CCC1	REAL300007897251	1	47	-2.0	-140.41	395.45	3.57	-136.84
CCN1N=CC(S(=O)(=O)[N-]C(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300007897262	1	40	-2.0	-134.62	340.98	1.30	-133.32
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2(OC)CCC2)C(=O)[O-])C(F)=C1	REAL300007897273	1	42	-2.0	-142.60	358.24	3.98	-138.62
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC2=CC=CC=C21	REAL300007897404	0	44	-2.0	-136.43	363.95	9.13	-127.30
COC1=CC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2=C1	REAL300007897519	0	39	-2.0	-136.19	354.39	6.55	-129.64
CC1=NOC(C(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007897645	0	38	-2.0	-134.12	346.82	3.94	-130.18
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)O1	REAL300007897701	0	34	-2.0	-94.60	326.39	4.93	-89.67
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897702	0	34	-2.0	-105.69	326.41	4.92	-100.77
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(F)(F)F)O1	REAL300007897703	0	37	-2.0	-108.57	341.83	5.72	-102.85
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897705	0	37	-2.0	-110.31	346.49	5.57	-104.74
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(F)(F)F)O1	REAL300007897706	0	31	-2.0	-120.64	310.27	4.70	-115.94
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897707	0	34	-2.0	-105.69	326.41	4.92	-100.77
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(F)(F)F)O1	REAL300007897708	0	34	-2.0	-94.60	326.39	4.93	-89.67
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897709	0	34	-2.0	-127.10	316.81	5.82	-121.28
CC1=CC=C(C([N-]S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897710	0	32	-2.0	-103.39	314.93	2.66	-100.73
CC1=CC=C(C([N-]S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(F)(F)F)O1	REAL300007897711	0	34	-2.0	-99.78	330.99	3.06	-96.72
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(F)(F)F)O1	REAL300007897712	0	31	-2.0	-96.64	318.68	4.05	-92.59
CC1=CC=C(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897713	0	31	-2.0	-121.85	302.51	1.98	-119.87
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897714	0	34	-2.0	-127.10	316.81	5.82	-121.28
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897715	0	34	-2.0	-118.72	333.49	6.40	-112.32
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)O1	REAL300007897716	0	31	-2.0	-100.40	311.16	3.29	-97.11
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C(F)(F)F)O1	REAL300007897717	0	34	-2.0	-102.83	329.40	3.76	-99.07
CC1=CC=C(C([N-]S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897718	0	37	-2.0	-105.71	358.67	5.50	-100.21
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(F)(F)F)O1	REAL300007897719	0	31	-2.0	-100.40	311.16	3.29	-97.11
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(F)(F)F)O1	REAL300007897720	0	38	-2.0	-92.48	357.49	5.20	-87.28
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(F)(F)F)O1	REAL300007897721	0	31	-2.0	-100.53	319.59	3.95	-96.58
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(F)(F)F)O1	REAL300007897722	0	40	-2.0	-108.13	358.80	6.25	-101.88
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897723	0	37	-2.0	-133.64	343.84	6.07	-127.57
CC1=CC=C(C([N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897724	0	31	-2.0	-101.64	318.05	3.96	-97.68
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(F)(F)F)O1	REAL300007897725	0	37	-2.0	-103.39	339.69	5.79	-97.60
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(F)(F)F)O1	REAL300007897726	0	37	-2.0	-97.81	348.57	5.70	-92.11
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(F)(F)F)O1	REAL300007897727	0	31	-2.0	-100.70	311.42	3.04	-97.66
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897728	0	37	-2.0	-105.19	348.57	5.69	-99.50
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897729	0	34	-2.0	-99.98	329.41	4.06	-95.92
CC1=CC=C(C([N-]S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897730	0	33	-2.0	-98.34	321.58	3.12	-95.22
CC1=CC=C(C([N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897731	0	30	-2.0	-120.12	304.72	3.17	-116.95
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(F)(F)F)O1	REAL300007897732	0	30	-2.0	-124.28	306.86	2.59	-121.69
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897733	0	33	-2.0	-127.06	313.60	4.08	-122.98
CC1=CC=C(C([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)O1	REAL300007897734	0	39	-2.0	-94.94	363.82	4.95	-89.99
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(F)(F)F)O1	REAL300007897735	0	33	-2.0	-95.42	322.27	3.14	-92.28
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897736	0	34	-2.0	-100.29	343.14	5.43	-94.86
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(F)(F)F)O1	REAL300007897738	0	37	-2.0	-94.78	342.40	5.47	-89.31
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897739	0	34	-2.0	-100.29	343.14	5.43	-94.86
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C(F)(F)F)O1	REAL300007897740	0	34	-2.0	-121.68	327.05	5.52	-116.16
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897742	0	37	-2.0	-110.31	346.49	5.57	-104.74
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(F)(F)F)O1	REAL300007897743	0	37	-2.0	-108.57	341.83	5.72	-102.85
CC1=CC=C(C([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(F)(F)F)O1	REAL300007897744	0	37	-2.0	-103.92	345.10	4.65	-99.27
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897745	0	37	-2.0	-105.19	348.57	5.69	-99.50
COC1=C(S(=O)(=O)[N-]C(C2=CC=C(C)O2)C(F)(F)F)SC(C(=O)[O-])=C1	REAL300007897746	0	35	-2.0	-101.69	348.90	3.38	-98.31
CCC1=C(S(=O)(=O)[N-]C(C2=CC=C(C)O2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007897747	1	37	-2.0	-99.65	348.53	5.01	-94.64
CC1=CC=C(C([N-]S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897748	0	36	-2.0	-98.87	341.50	3.72	-95.15
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(F)(F)F)O1	REAL300007897751	0	37	-2.0	-96.60	354.02	5.75	-90.85
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)O1	REAL300007897752	0	34	-2.0	-114.41	320.67	3.38	-111.03
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C(F)(F)F)O1	REAL300007897753	0	34	-2.0	-102.55	329.14	3.89	-98.66
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897754	0	34	-2.0	-103.85	338.90	5.31	-98.54
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(F)(F)F)O1	REAL300007897755	0	31	-2.0	-123.33	303.62	3.69	-119.64
CC1=CC=C(C([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897757	0	31	-2.0	-121.85	302.51	1.98	-119.87
CC1=CC=C(C([N-]S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(F)(F)F)O1	REAL300007897758	0	34	-2.0	-114.41	320.67	3.38	-111.03
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(F)(F)F)O1	REAL300007897759	0	31	-2.0	-96.30	326.07	3.58	-92.72
CC1=CC=C(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897761	0	31	-2.0	-97.17	309.89	1.18	-95.99
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(F)(F)F)O1	REAL300007897762	0	34	-2.0	-102.60	327.91	2.68	-99.92
CC1=CC=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C(F)(F)F)O1	REAL300007897763	0	34	-2.0	-102.26	336.49	4.61	-97.65
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(F)(F)F)O1	REAL300007897764	0	37	-2.0	-122.15	337.93	6.20	-115.95
CC1=CC=C(C([N-]S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(F)(F)F)O1	REAL300007897765	0	34	-2.0	-100.69	332.30	4.11	-96.58
CC1=CC=C(C([N-]S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(F)(F)F)O1	REAL300007897766	0	31	-2.0	-97.17	309.89	1.18	-95.99
CC1=CC=C(C([N-]S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(F)(F)F)O1	REAL300007897767	0	34	-2.0	-117.96	315.17	4.50	-113.46
CC1=CC=C(C([N-]S(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C(F)(F)F)O1	REAL300007897768	0	36	-2.0	-96.62	339.08	3.67	-92.95
CC1=CC=C(C([N-]S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(F)(F)F)O1	REAL300007897769	0	37	-2.0	-122.15	337.93	6.20	-115.95
CC1=CC=C(C([N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(F)(F)F)O1	REAL300007897770	0	33	-2.0	-118.44	309.06	3.85	-114.59
CCC(OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007897841	1	41	-2.0	-99.61	383.77	4.88	-94.73
CC1=CC=CC=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007898140	0	41	-2.0	-137.48	368.18	7.93	-129.55
CC1=CC=CC=C1[C@@H]1C[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007898144	1	35	-2.0	-96.94	337.94	5.32	-91.62
CC(C)(C)C[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007898261	0	43	-2.0	-134.45	372.35	7.01	-127.44
CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007898265	1	37	-2.0	-95.06	342.12	4.40	-90.66
CC(COCC1CC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007898379	0	41	-2.0	-134.25	366.16	5.43	-128.82
CC(COCC1CC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007898383	1	35	-2.0	-96.73	334.19	2.94	-93.79
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2(CCCCC2)O1	REAL300007900178	0	48	-2.0	-134.36	389.48	7.77	-126.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C2=NC=CO2)=C1	REAL300007900262	1	37	-2.0	-101.16	365.04	2.92	-98.24
COC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1OC	REAL300007900352	0	42	-2.0	-135.46	367.30	6.43	-129.03
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C=C1C(=O)[O-]	REAL300007900443	0	36	-2.0	-133.52	320.51	3.59	-129.93
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)=C1	REAL300007900446	1	30	-2.0	-97.16	286.78	1.10	-96.06
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300007900617	1	42	-2.0	-117.69	358.23	5.42	-112.27
CCN1C=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=N1	REAL300007900759	1	44	-2.0	-122.69	372.45	5.85	-116.84
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)CC(=O)[O-]	REAL300007900813	1	42	-2.0	-109.92	367.66	4.03	-105.89
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)CC(=O)[O-]	REAL300007900816	1	42	-2.0	-113.33	357.44	5.53	-107.80
CC1=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(N)=NO1	REAL300007900866	1	40	-2.0	-109.96	329.58	2.31	-107.65
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007900901	0	41	-2.0	-133.86	349.14	3.94	-129.92
CC1=NC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C(C2=CC=CC=C2)O1	REAL300007901009	1	48	-2.0	-118.75	400.39	4.32	-114.43
CCN1N=CC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300007901022	1	41	-2.0	-109.17	348.38	1.99	-107.18
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(F)=C1	REAL300007901034	1	43	-2.0	-127.13	360.13	4.54	-122.59
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300007901242	1	42	-2.0	-117.69	358.23	5.42	-112.27
CCN1C=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=N1	REAL300007901384	1	44	-2.0	-122.69	372.45	5.85	-116.84
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)CC(=O)[O-]	REAL300007901438	1	42	-2.0	-109.92	367.66	4.03	-105.89
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)CC(=O)[O-]	REAL300007901441	1	42	-2.0	-113.33	357.44	5.53	-107.80
CC1=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(N)=NO1	REAL300007901491	1	40	-2.0	-109.96	329.58	2.31	-107.65
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007901526	0	41	-2.0	-133.86	349.14	3.94	-129.92
CC1=NC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C(C2=CC=CC=C2)O1	REAL300007901634	1	48	-2.0	-118.75	400.39	4.32	-114.43
CCN1N=CC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300007901647	1	41	-2.0	-109.17	348.38	1.99	-107.18
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(F)=C1	REAL300007901659	1	43	-2.0	-127.13	360.13	4.54	-122.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC(Cl)=C3)CCC2)=C1	REAL300007901870	1	35	-2.0	-99.44	343.94	5.97	-93.47
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC2CCC1CC2	REAL300007902101	0	47	-2.0	-143.05	371.36	7.40	-135.65
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CC2CCC1CC2	REAL300007902103	1	41	-2.0	-97.32	344.89	5.19	-92.13
CC1=CC=CC=C1C1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007902206	0	44	-2.0	-136.78	365.30	7.93	-128.85
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=CC=C3Cl)CCC2)=C1	REAL300007902303	1	35	-2.0	-96.46	343.71	5.58	-90.88
CC(N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)(C)C	REAL300007902401	0	42	-2.0	-134.87	339.64	7.28	-127.59
CCOC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007902514	0	41	-2.0	-140.93	355.29	5.97	-134.96
COC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007902772	0	38	-2.0	-133.42	346.63	6.79	-126.63
CC1SCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007902874	0	35	-2.0	-134.55	321.87	5.63	-128.92
CC1SCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007902878	1	29	-2.0	-91.60	290.18	3.26	-88.34
CN(C(C)(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007902937	0	36	-2.0	-136.11	305.20	5.90	-130.21
CC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCC2)C=C1	REAL300007903033	0	44	-2.0	-139.42	371.94	8.24	-131.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC(F)CC2)C=C1C(=O)[O-]	REAL300007903151	0	40	-2.0	-133.66	350.64	6.49	-127.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC(F)CC2)=C1	REAL300007903155	1	34	-2.0	-93.26	321.61	3.80	-89.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC2C2CCC2)C=C1C(=O)[O-]	REAL300007903268	0	44	-2.0	-137.93	345.81	8.42	-129.51
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300007903342	1	34	-2.0	-115.92	295.64	2.88	-113.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)O1	REAL300007903347	1	34	-2.0	-98.15	306.28	4.32	-93.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)O1	REAL300007903348	1	37	-2.0	-101.60	324.48	4.79	-96.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)O1	REAL300007903354	1	34	-2.0	-98.15	306.28	4.32	-93.83
O=C([O-])C1=COC(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C1	REAL300007903364	1	34	-2.0	-99.26	306.49	4.06	-95.20
O=C([O-])C1=NSC=C1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300007903368	1	33	-2.0	-116.97	303.23	4.07	-112.90
O=C([O-])C1=C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)SC=N1	REAL300007903369	1	33	-2.0	-124.76	303.87	3.70	-121.06
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C1	REAL300007903401	1	37	-2.0	-100.38	324.22	4.92	-95.46
O=C([O-])C1=C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)OC=C1	REAL300007903403	1	34	-2.0	-122.45	298.70	4.81	-117.64
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300007903406	1	34	-2.0	-115.92	295.64	2.88	-113.04
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300007903408	0	40	-2.0	-134.91	349.81	6.90	-128.01
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C1	REAL300007903412	0	34	-2.0	-94.86	321.16	4.60	-90.26
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300007903428	1	34	-2.0	-115.92	295.64	2.88	-113.04
CC1=CC=C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2=C1	REAL300007903522	0	41	-2.0	-137.63	361.01	8.79	-128.84
C=CCCSCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007903813	0	38	-2.0	-135.69	362.12	6.50	-129.19
C=CCCSCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007903817	1	32	-2.0	-92.86	332.67	3.81	-89.05
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903856	0	31	-2.0	-125.79	306.52	2.68	-123.11
O=C([O-])C1CCCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C1	REAL300007903857	0	39	-2.0	-106.61	348.18	4.76	-101.85
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)CC1	REAL300007903858	1	39	-2.0	-99.27	347.41	4.79	-94.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)O1	REAL300007903861	1	31	-2.0	-102.01	315.17	4.01	-98.00
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)O1	REAL300007903862	1	34	-2.0	-103.97	333.40	4.47	-99.50
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903863	0	33	-2.0	-101.53	316.62	4.28	-97.25
O=C([O-])C1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903864	0	36	-2.0	-123.30	330.17	4.79	-118.51
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C=C1	REAL300007903865	0	37	-2.0	-98.71	354.36	6.38	-92.33
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)CC1	REAL300007903866	1	39	-2.0	-99.27	347.41	4.79	-94.48
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903867	0	37	-2.0	-107.62	354.37	6.36	-101.26
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)O1	REAL300007903868	1	31	-2.0	-102.01	315.17	4.01	-98.00
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903870	0	33	-2.0	-101.53	316.62	4.28	-97.25
O=C([O-])C1=CSC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903871	1	31	-2.0	-103.31	323.60	4.67	-98.64
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903877	0	31	-2.0	-101.83	315.41	3.75	-98.08
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903881	1	30	-2.0	-123.80	308.73	3.89	-119.91
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)SC=N1	REAL300007903882	0	30	-2.0	-125.54	312.00	3.35	-122.19
O=C([O-])CCCCCS(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903884	0	39	-2.0	-97.75	359.62	5.84	-91.91
CN(CCC(=O)[O-])S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903889	1	35	-2.0	-104.77	329.94	3.87	-100.90
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C=C1	REAL300007903892	0	37	-2.0	-98.71	354.36	6.38	-92.33
O=C([O-])CC1(CS(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)CC1	REAL300007903896	0	37	-2.0	-109.60	340.91	5.55	-104.05
COC1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)SC(C(=O)[O-])=C1	REAL300007903898	1	35	-2.0	-103.42	352.91	4.09	-99.33
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903906	1	34	-2.0	-104.25	333.14	4.60	-99.65
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)OC=C1	REAL300007903908	0	31	-2.0	-125.32	307.63	4.48	-120.84
O=C([O-])C1(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)CCC1	REAL300007903909	0	34	-2.0	-121.81	315.67	4.90	-116.91
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903911	0	31	-2.0	-125.79	306.52	2.68	-123.11
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903913	1	33	-2.0	-106.40	326.64	3.76	-102.64
O=C([O-])C1=CC=CC=C1CS(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903914	0	37	-2.0	-125.80	344.32	6.80	-119.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C1	REAL300007903915	0	31	-2.0	-97.44	330.07	4.29	-93.15
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=NN1	REAL300007903918	1	31	-2.0	-98.18	313.90	1.89	-96.29
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C1	REAL300007903920	0	34	-2.0	-104.93	321.16	4.80	-100.13
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C1	REAL300007903921	0	37	-2.0	-103.79	337.63	5.36	-98.43
O=C([O-])C1=NC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=C2C=CC=CN21	REAL300007903924	1	37	-2.0	-125.51	356.78	4.27	-121.24
O=C([O-])C1=CN2C=NC(S(=O)(=O)[N-]CC(F)(F)C3=CC=CC(F)=C3)=C2C=C1	REAL300007903925	1	37	-2.0	-99.52	357.01	6.87	-92.65
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903926	0	34	-2.0	-102.93	327.23	4.97	-97.96
O=C([O-])C1CCCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903927	0	39	-2.0	-132.43	340.05	5.80	-126.63
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)=NN1	REAL300007903928	1	31	-2.0	-98.18	313.90	1.89	-96.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903929	0	36	-2.0	-124.62	330.17	4.79	-119.83
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903930	0	31	-2.0	-125.79	306.52	2.68	-123.11
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC(F)=C2)C=C(Cl)S1	REAL300007903931	1	31	-2.0	-117.03	331.28	6.05	-110.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]CC(F)(F)C1=CC=CC(F)=C1	REAL300007903932	0	34	-2.0	-123.78	312.66	5.53	-118.25
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300007903993	1	35	-2.0	-96.29	359.44	5.95	-90.34
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1C(=O)[O-]	REAL300007904051	0	35	-2.0	-133.95	318.46	3.31	-130.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCO2)=C1	REAL300007904053	1	29	-2.0	-99.32	289.02	0.62	-98.70
COC1=CC(C)=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007904148	0	44	-2.0	-139.99	393.92	6.77	-133.22
COC1=CC(C)=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007904152	1	38	-2.0	-98.37	364.48	4.08	-94.29
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007904262	0	43	-2.0	-135.75	371.33	7.76	-127.99
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007904266	1	37	-2.0	-97.29	344.50	5.14	-92.15
COC1=CC=CC(OC)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007904333	1	35	-2.0	-136.45	327.04	1.65	-134.80
COC1=CC=CC(OC)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007904373	0	42	-2.0	-141.03	377.83	4.76	-136.27
CCC(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007904442	0	39	-2.0	-134.28	340.41	5.74	-128.54
CCC(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007904444	1	33	-2.0	-94.28	310.95	3.04	-91.24
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(OC1CCCC1)C(F)(F)F	REAL300007904471	1	38	-2.0	-119.39	345.01	1.84	-117.55
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)O1	REAL300007904475	1	38	-2.0	-96.89	347.63	3.01	-93.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)O1	REAL300007904476	1	41	-2.0	-98.43	366.07	3.46	-94.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)O1	REAL300007904482	1	38	-2.0	-96.89	347.63	3.01	-93.88
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)=C1	REAL300007904489	1	38	-2.0	-97.89	353.51	2.97	-94.92
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(OC1CCCC1)C(F)(F)F	REAL300007904493	1	37	-2.0	-121.48	341.40	2.87	-118.61
O=C([O-])C1=C(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)SC=N1	REAL300007904494	1	37	-2.0	-124.70	350.09	2.56	-122.14
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)=C1	REAL300007904508	1	41	-2.0	-100.93	365.81	3.59	-97.34
O=C([O-])C1=C(S(=O)(=O)[N-]CC(OC2CCCC2)C(F)(F)F)OC=C1	REAL300007904509	1	38	-2.0	-121.75	349.86	3.29	-118.46
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(OC1CCCC1)C(F)(F)F	REAL300007904511	1	38	-2.0	-119.39	345.01	1.84	-117.55
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(OC1CCCC1)C(F)(F)F	REAL300007904525	1	38	-2.0	-119.39	345.01	1.84	-117.55
CC1=CC=NC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007904617	0	39	-2.0	-138.66	355.11	5.56	-133.10
CC1=CC=NC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007904621	1	33	-2.0	-95.50	324.22	2.82	-92.68
C[C@H]1CC[C@@](C)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(C)C	REAL300007904777	0	49	-2.0	-134.14	386.38	7.57	-126.57
C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1(C)C	REAL300007904781	1	43	-2.0	-97.80	358.08	4.79	-93.01
CC1CC(C)CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007904895	0	46	-2.0	-134.02	378.90	7.36	-126.66
CC1CC(C)CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007904899	1	40	-2.0	-96.09	349.89	4.69	-91.40
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=NC3=CC=CC=C23)=C1	REAL300007905002	1	36	-2.0	-96.95	351.50	4.37	-92.58
CSCC1(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007905110	0	41	-2.0	-134.22	377.07	6.95	-127.27
CSCC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007905114	1	35	-2.0	-96.97	347.61	4.26	-92.71
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)CC2)C=C1C(=O)[O-]	REAL300007905345	0	47	-2.0	-139.17	378.37	7.63	-131.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3(CCCC3)CC2)=C1	REAL300007905349	1	41	-2.0	-97.05	347.94	5.23	-91.82
O=C([O-])C1=CC=C(S(=O)(=O)NC2C=CCC2)C=C1C(=O)[O-]	REAL300007905407	0	32	-2.0	-135.66	297.81	4.83	-130.83
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCC3)CC2)C=C1C(=O)[O-]	REAL300007905505	0	47	-2.0	-134.65	369.50	8.49	-126.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCC3)CC2)C=C1C(=O)[O-]	REAL300007905669	0	44	-2.0	-134.29	368.32	8.61	-125.68
C=CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007905790	0	41	-2.0	-135.35	352.94	7.80	-127.55
C#CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007905904	0	39	-2.0	-135.56	347.12	7.79	-127.77
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007908063	0	38	-2.0	-137.66	348.88	6.88	-130.78
CC(C)C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1F	REAL300007908125	1	36	-2.0	-119.05	316.58	4.81	-114.24
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1F	REAL300007908165	0	43	-2.0	-143.92	379.32	8.24	-135.68
C[C@@]12COC[C@]1(C)CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007908279	0	42	-2.0	-136.74	353.78	5.02	-131.72
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC2C2CCC2)C=C1C(=O)[O-]	REAL300007908399	0	44	-2.0	-137.93	345.81	8.42	-129.51
C[C@H]1C2=CC=CC=C2C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007908519	0	41	-2.0	-136.43	361.77	8.02	-128.41
C[C@H]1C2=CC=CC=C2C[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007908523	1	35	-2.0	-96.17	328.49	5.57	-90.60
CN(C1CC(C)(C)CC(C)(C)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007908629	0	52	-2.0	-139.49	410.45	9.16	-130.33
COCCN(CCF)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007908830	0	37	-2.0	-136.78	337.70	5.08	-131.70
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC2CC2(F)F)C=C1C(=O)[O-]	REAL300007908948	0	35	-2.0	-143.61	340.61	4.09	-139.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC2CC2(F)F)=C1	REAL300007908952	1	29	-2.0	-95.84	311.39	1.38	-94.46
CO[C@@H](C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007909017	0	34	-2.0	-135.18	315.25	2.85	-132.33
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(OC3CC3)=C2F)=C1	REAL300007909101	1	36	-2.0	-104.36	358.02	4.34	-100.02
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3OC=CC3=C2)C=C1C(=O)[O-]	REAL300007909205	0	37	-2.0	-136.37	348.91	6.38	-129.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C3OC=CC3=C2)=C1	REAL300007909209	1	31	-2.0	-97.83	319.45	3.67	-94.16
CC1(C)CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300007909315	0	52	-2.0	-134.01	415.39	8.29	-125.72
CC1(C)CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC(C)(C)C1	REAL300007909319	1	46	-2.0	-96.98	386.32	5.62	-91.36
O=C([O-])C1=C(S(=O)(=O)[N-]CCOC(F)F)SC=N1	REAL300007909368	1	24	-2.0	-122.03	259.27	-1.18	-123.21
O=C([O-])C1=CC=C(S(=O)(=O)NCCOC(F)F)C=C1C(=O)[O-]	REAL300007909406	0	31	-2.0	-136.78	306.58	2.48	-134.30
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOC(F)F)=C1	REAL300007909409	0	25	-2.0	-94.20	277.35	-0.23	-94.43
CO[C@H](C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007909466	0	34	-2.0	-134.19	315.35	2.84	-131.35
CCN1C=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])N=N1	REAL300007909520	1	29	-2.0	-122.35	288.96	0.27	-122.08
CCN1C=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)N=N1	REAL300007909521	1	29	-2.0	-130.66	291.10	-0.24	-130.90
CCN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)N=N1	REAL300007909567	0	36	-2.0	-138.11	339.75	3.38	-134.73
CCN1C=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)N=N1	REAL300007909571	1	30	-2.0	-102.06	310.29	0.68	-101.38
CCN1C=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)N=N1	REAL300007909591	1	30	-2.0	-116.45	311.50	2.45	-114.00
CC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300007909681	0	43	-2.0	-136.10	381.45	8.02	-128.08
CC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1C	REAL300007909685	1	37	-2.0	-97.16	351.99	5.33	-91.83
C[C@H](COC1=C(F)C=CC=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007909771	1	35	-2.0	-105.04	353.28	4.17	-100.87
C[C@@H](COC1=C(F)C=CC=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007909845	1	35	-2.0	-105.44	353.28	4.18	-101.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300007909946	0	47	-2.0	-138.04	387.64	8.81	-129.23
CN(CC1COCCO1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007910742	0	39	-2.0	-134.44	344.17	4.23	-130.21
C=CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOCC1	REAL300007910859	0	42	-2.0	-136.15	343.03	4.95	-131.20
C=CCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOCC1	REAL300007910863	1	36	-2.0	-91.61	321.26	2.95	-88.66
CC1(C)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300007910977	0	49	-2.0	-136.07	378.49	8.82	-127.25
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Br)C(N)=NO1	REAL300007911114	1	32	-2.0	-124.37	309.85	3.45	-120.92
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300007911137	1	33	-2.0	-135.40	321.84	2.97	-132.43
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC=C1Br	REAL300007911142	1	28	-2.0	-133.43	299.91	4.60	-128.83
CC(C)(C)OCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007911236	0	43	-2.0	-135.29	372.94	4.98	-130.31
CC(C)(C)OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007911240	1	37	-2.0	-94.68	343.48	2.29	-92.39
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007911357	0	38	-2.0	-136.91	339.81	7.21	-129.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC3=CC=CC=C32)=C1	REAL300007911361	1	32	-2.0	-98.46	309.42	4.66	-93.80
CN(CC1=CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007911475	0	39	-2.0	-136.53	343.03	5.84	-130.69
CC(C)(F)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007911632	0	36	-2.0	-134.15	327.12	5.09	-129.06
CC(C)(F)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007911635	0	30	-2.0	-94.98	297.69	2.41	-92.57
CCC(C)N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007911694	0	39	-2.0	-136.07	331.47	6.97	-129.10
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300007911782	1	28	-2.0	-90.28	325.53	4.34	-85.94
CSCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007911838	0	31	-2.0	-135.52	306.35	4.25	-131.27
CC1=CC=C(C(CF)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007911893	1	33	-2.0	-124.29	310.00	4.68	-119.61
CC1=CC=C(C(CF)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007911937	0	40	-2.0	-139.08	361.73	7.66	-131.42
CC1=CC=C(C(CF)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007911941	1	34	-2.0	-98.82	331.38	5.17	-93.65
CN(CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)S(C)(=O)=O	REAL300007912048	0	41	-2.0	-142.28	378.97	1.79	-140.49
CN(CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)S(C)(=O)=O	REAL300007912052	1	35	-2.0	-96.81	349.52	-0.89	-97.70
C=CCC1CCCCC1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007912162	0	44	-2.0	-136.34	366.97	7.61	-128.73
C=CCC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007912166	1	38	-2.0	-97.63	341.01	4.99	-92.64
CN(C1CC(C(C)(C)C)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007912370	0	46	-2.0	-134.64	373.80	8.11	-126.53
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC23CCCCC3)C=C1C(=O)[O-]	REAL300007912488	0	47	-2.0	-138.64	376.82	7.99	-130.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC23CCCCC3)=C1	REAL300007912492	1	41	-2.0	-98.81	346.95	5.60	-93.21
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCOC1	REAL300007912607	0	42	-2.0	-134.20	363.62	2.61	-131.59
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCOC1	REAL300007912611	1	36	-2.0	-93.37	335.75	0.68	-92.69
CCC(CC1=CC=C(F)C=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007912719	0	43	-2.0	-148.81	379.08	8.52	-140.29
CCC(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007912723	1	37	-2.0	-93.76	357.49	5.90	-87.86
CS(=O)(=O)CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007912910	1	37	-2.0	-108.46	363.57	0.74	-107.72
COCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007913015	0	41	-2.0	-133.16	336.61	4.08	-129.08
COCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007913019	1	35	-2.0	-97.20	320.31	2.48	-94.72
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC(C2)C3)C=C1C(=O)[O-]	REAL300007913075	0	32	-2.0	-137.55	290.67	4.64	-132.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN=C(C(F)(F)F)N=C2)=C1	REAL300007913159	1	29	-2.0	-87.17	322.49	1.72	-85.45
COCC(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC	REAL300007913263	0	41	-2.0	-135.98	366.97	2.73	-133.25
COCC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC	REAL300007913267	1	35	-2.0	-95.27	336.36	0.03	-95.24
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(CN3C=CN=N3)C2)C=C1C(=O)[O-]	REAL300007913378	0	40	-2.0	-144.10	360.02	5.48	-138.62
C[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)[C@H](C)C1	REAL300007914066	0	40	-2.0	-134.44	329.54	7.19	-127.25
CCC(COCC1CC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007914175	0	44	-2.0	-135.75	386.32	6.19	-129.56
CCC(COCC1CC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007914179	1	38	-2.0	-96.83	359.19	3.63	-93.20
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3C(C2)C2CCC3CC2)C=C1C(=O)[O-]	REAL300007914294	0	45	-2.0	-136.52	351.94	8.90	-127.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=CO3)CC2)C=C1C(=O)[O-]	REAL300007914412	0	41	-2.0	-143.53	362.55	7.70	-135.83
CC1(C2CC2)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007914531	0	42	-2.0	-136.02	355.79	6.60	-129.42
C=CCCC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCCC1	REAL300007914700	0	47	-2.0	-135.98	392.84	8.09	-127.89
C=CCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCC1	REAL300007914704	1	41	-2.0	-97.02	365.56	5.44	-91.58
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC[C@@H]3OCC[C@@H]32)C=C1C(=O)[O-]	REAL300007914820	0	39	-2.0	-136.37	335.04	5.35	-131.02
COCC1(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007914942	0	38	-2.0	-138.81	330.84	5.68	-133.13
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCC3)CC2)C=C1C(=O)[O-]	REAL300007915224	0	47	-2.0	-135.24	372.13	8.58	-126.66
CCC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007915329	0	42	-2.0	-136.92	345.78	5.98	-130.94
CCC(C)(C)C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007915333	1	36	-2.0	-94.58	315.46	3.57	-91.01
CCN1N=NC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007916019	1	29	-2.0	-115.41	288.32	0.20	-115.21
CCN1N=NC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007916066	0	36	-2.0	-133.92	338.07	3.25	-130.67
CC1(C)CCCC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007916183	0	46	-2.0	-135.35	381.25	7.32	-128.03
CC1(C)CCCC1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007916187	1	40	-2.0	-95.68	351.82	4.63	-91.05
CC(C)CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007916297	0	46	-2.0	-136.70	396.33	8.60	-128.10
COC1=CC=CC(C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)OC)=C1	REAL300007916398	1	39	-2.0	-98.43	371.16	2.81	-95.62
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007916496	0	41	-2.0	-133.98	350.66	7.02	-126.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3CC3C2)=C1	REAL300007916500	1	35	-2.0	-95.39	322.59	4.36	-91.03
CCN1N=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007916563	1	29	-2.0	-121.53	289.40	-0.02	-121.55
CCN1N=CC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007916564	1	29	-2.0	-125.39	291.55	-0.55	-125.94
CCN1N=CC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007916605	1	30	-2.0	-124.70	288.31	0.58	-124.12
CCN1N=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007916610	0	36	-2.0	-136.03	340.20	3.07	-132.96
CCN1N=CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007916614	1	30	-2.0	-97.25	310.75	0.37	-96.88
CCN1N=CC(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=N1	REAL300007916634	1	30	-2.0	-115.13	311.96	2.14	-112.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C3=CC=CC=C3)S2)=C1	REAL300007916697	1	35	-2.0	-97.50	359.92	6.10	-91.40
C=CC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007916783	0	40	-2.0	-134.24	347.00	5.87	-128.37
C=CC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007916786	1	34	-2.0	-94.54	317.55	3.18	-91.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC(C2CCC2)C2CCC2)C=C1C(=O)[O-]	REAL300007916890	0	47	-2.0	-134.69	388.73	8.43	-126.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)=C1	REAL300007916894	1	41	-2.0	-97.24	362.60	5.74	-91.50
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3=CC=CC=C3CC2)=C1	REAL300007917064	1	41	-2.0	-96.50	367.41	6.40	-90.10
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)COC2=CC=CC=C2O1	REAL300007917156	1	37	-2.0	-99.46	352.94	3.30	-96.16
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(N1C=CC=N1)C(F)(F)F	REAL300007917186	1	31	-2.0	-119.79	302.61	0.79	-119.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)O1	REAL300007917191	1	31	-2.0	-98.33	311.24	2.11	-96.22
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)O1	REAL300007917192	1	34	-2.0	-99.44	329.50	2.57	-96.87
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)O1	REAL300007917198	1	31	-2.0	-98.33	311.24	2.11	-96.22
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)=C1	REAL300007917207	1	31	-2.0	-97.40	311.49	1.85	-95.55
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(N1C=CC=N1)C(F)(F)F	REAL300007917211	1	30	-2.0	-118.98	304.83	1.99	-116.99
O=C([O-])C1=C(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)SC=N1	REAL300007917212	1	30	-2.0	-121.51	308.08	1.44	-120.07
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)=C1	REAL300007917235	1	34	-2.0	-100.45	329.24	2.69	-97.76
O=C([O-])C1=C(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)OC=C1	REAL300007917237	1	31	-2.0	-120.48	307.83	2.17	-118.31
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(N1C=CC=N1)C(F)(F)F	REAL300007917240	1	31	-2.0	-119.79	302.61	0.79	-119.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(N2C=CC=N2)C(F)(F)F)=C1	REAL300007917244	0	31	-2.0	-93.18	326.18	2.38	-90.80
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(N1C=CC=N1)C(F)(F)F	REAL300007917257	1	31	-2.0	-119.79	302.61	0.79	-119.00
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=NS2)C=C1C(=O)[O-]	REAL300007917339	0	30	-2.0	-133.09	306.31	3.85	-129.24
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=NS2)=C1	REAL300007917342	1	24	-2.0	-91.64	276.88	1.15	-90.49
CCCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OCC	REAL300007917448	0	43	-2.0	-133.75	377.64	5.32	-128.43
CCCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OCC	REAL300007917452	1	37	-2.0	-97.19	345.91	2.54	-94.65
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)C=NN2C)O1	REAL300007917497	1	34	-2.0	-99.18	335.21	2.07	-97.11
CN1N=CC(C(F)(F)F)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007917516	1	30	-2.0	-112.93	310.54	1.49	-111.44
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=C(C(F)(F)F)C=NN2C)=C1	REAL300007917540	1	34	-2.0	-98.15	334.08	2.17	-95.98
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2CC3=CC=CC=C3CO2)C=C1C(=O)[O-]	REAL300007917647	0	42	-2.0	-136.91	374.71	6.26	-130.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2CC3=CC=CC=C3CO2)=C1	REAL300007917651	1	36	-2.0	-99.21	345.50	3.56	-95.65
CC1=CC=C2OC(C[N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])=CC2=C1	REAL300007917717	1	33	-2.0	-125.99	320.01	4.12	-121.87
CC1=CC=C2OC(CNS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC2=C1	REAL300007917760	0	40	-2.0	-136.22	370.78	7.22	-129.00
CC1=CC=C2OC(C[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)=CC2=C1	REAL300007917764	1	34	-2.0	-98.95	341.35	4.52	-94.43
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=COC=C2)C=C1C(=O)[O-]	REAL300007917855	0	34	-2.0	-137.13	323.76	4.78	-132.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=COC=C2)=C1	REAL300007917858	1	28	-2.0	-95.87	294.30	2.08	-93.79
CS(=O)(=O)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCCCC1	REAL300007917933	1	40	-2.0	-112.52	360.98	0.96	-111.56
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C[C@H](C3=CC=CC=C3)CO2)=C1	REAL300007918020	1	39	-2.0	-100.03	365.76	4.09	-95.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCC3CC32)C=C1C(=O)[O-]	REAL300007918118	0	41	-2.0	-134.84	351.72	6.97	-127.87
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC3CC32)=C1	REAL300007918122	1	35	-2.0	-95.92	322.78	4.29	-91.63
C=CCOCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007918218	0	38	-2.0	-135.68	351.54	4.41	-131.27
C=CCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007918222	1	32	-2.0	-94.11	322.09	1.73	-92.38
COCC1=CSC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007918283	1	31	-2.0	-123.61	316.25	1.76	-121.85
COCC1=CSC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007918327	0	38	-2.0	-135.70	367.05	4.86	-130.84
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(Cl)C(Cl)=C2)=C1	REAL300007918429	1	28	-2.0	-90.04	323.99	4.30	-85.74
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	REAL300007918461	1	33	-2.0	-126.80	298.80	0.51	-126.29
O=C([O-])C1=COC(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)=C1	REAL300007918483	1	33	-2.0	-103.83	307.69	1.58	-102.25
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)SC=N1	REAL300007918488	1	32	-2.0	-127.72	304.25	1.20	-126.52
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)OC=C1	REAL300007918524	1	33	-2.0	-126.08	299.91	2.31	-123.77
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	REAL300007918527	1	33	-2.0	-126.80	298.80	0.51	-126.29
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@]23OCCC[C@H]2C3(F)F)C=C1C(=O)[O-]	REAL300007918529	0	39	-2.0	-135.61	351.12	4.87	-130.74
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)=C1	REAL300007918533	0	33	-2.0	-99.60	322.36	2.13	-97.47
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	REAL300007918552	1	33	-2.0	-126.80	298.80	0.51	-126.29
CN1C=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC=CC=C21	REAL300007918632	1	38	-2.0	-102.81	367.92	5.91	-96.90
CN1N=CC(C2CC2)=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007918695	1	34	-2.0	-119.61	321.44	2.58	-117.03
CN1N=CC(C2CC2)=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007918739	0	41	-2.0	-133.54	372.24	5.67	-127.87
CC1CCCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007918859	0	41	-2.0	-134.67	357.86	4.91	-129.76
CC1CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)O1	REAL300007918863	1	35	-2.0	-99.23	328.43	2.23	-97.00
CC1(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC1(F)F	REAL300007918925	1	27	-2.0	-117.50	276.78	1.91	-115.59
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1(F)F	REAL300007918968	0	34	-2.0	-134.13	322.59	5.45	-128.68
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1(F)F	REAL300007918972	0	28	-2.0	-90.71	294.86	2.85	-87.86
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2CCC2)C=C1C(=O)[O-]	REAL300007919063	0	40	-2.0	-134.25	352.84	6.66	-127.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2CCC2)=C1	REAL300007919066	1	34	-2.0	-94.12	323.39	3.98	-90.14
CC1(CC[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1(F)F	REAL300007919098	1	31	-2.0	-119.28	290.49	1.56	-117.72
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CC1(F)F	REAL300007919122	1	31	-2.0	-97.54	299.39	2.63	-94.91
CC1(CC[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC1(F)F	REAL300007919127	1	30	-2.0	-122.76	295.96	2.23	-120.53
CC1(CC[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CC1(F)F	REAL300007919169	1	31	-2.0	-118.56	291.59	3.37	-115.19
CC1(CC[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1(F)F	REAL300007919171	1	31	-2.0	-119.28	290.49	1.56	-117.72
CC1(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1(F)F	REAL300007919173	0	37	-2.0	-132.71	343.51	5.87	-126.84
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1(F)F	REAL300007919177	0	31	-2.0	-93.22	314.05	3.17	-90.05
CC1(CC[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC1(F)F	REAL300007919196	1	31	-2.0	-119.28	290.49	1.56	-117.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2COC3=CC(F)=CC=C3C2)C=C1C(=O)[O-]	REAL300007919282	0	39	-2.0	-139.38	356.08	5.85	-133.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2COC3=CC(F)=CC=C3C2)=C1	REAL300007919286	1	33	-2.0	-91.82	325.38	3.45	-88.37
CCC1(CC)CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007919396	0	46	-2.0	-134.47	365.73	8.18	-126.29
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(N3C=CC=N3)C2)C=C1C(=O)[O-]	REAL300007919605	0	41	-2.0	-151.10	360.77	6.67	-144.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(CCF)C2)C=C1C(=O)[O-]	REAL300007919724	0	40	-2.0	-136.73	346.66	7.36	-129.37
COCCCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007919838	0	47	-2.0	-136.96	394.75	7.10	-129.86
CC12COCC1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007919957	0	39	-2.0	-135.50	338.92	4.78	-130.72
COCCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007920446	0	44	-2.0	-140.42	373.75	6.31	-134.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NC=CN=N3)CC2)C=C1C(=O)[O-]	REAL300007920565	0	40	-2.0	-140.48	357.90	5.36	-135.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CC4=CC(Cl)=CC=C4C32)=C1	REAL300007920785	1	33	-2.0	-93.99	341.45	6.03	-87.96
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007920866	0	38	-2.0	-137.45	328.75	6.11	-131.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3CC3C2)=C1	REAL300007920869	1	32	-2.0	-95.73	297.04	3.71	-92.02
CC(C)OC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007920971	0	47	-2.0	-140.52	395.52	6.24	-134.28
CC(C)OC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007920975	1	41	-2.0	-94.76	364.37	3.78	-90.98
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC23CCCC3)C=C1C(=O)[O-]	REAL300007921083	0	41	-2.0	-138.47	351.36	6.94	-131.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC23CCCC3)=C1	REAL300007921087	1	35	-2.0	-96.33	322.21	4.38	-91.95
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007921192	0	44	-2.0	-135.54	383.13	8.53	-127.01
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007921196	1	38	-2.0	-97.90	354.67	5.98	-91.92
CC1=CC=CC2=C1CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CO2	REAL300007921304	0	42	-2.0	-145.35	367.16	6.30	-139.05
CC1=CC=CC2=C1CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CO2	REAL300007921308	1	36	-2.0	-96.53	337.03	3.94	-92.59
C=CCC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007921489	0	38	-2.0	-134.98	340.48	7.06	-127.92
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=CO1	REAL300007921750	1	33	-2.0	-123.60	329.45	5.53	-118.07
CCN1C=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)C([N+](=O)[O-])=N1	REAL300007921801	1	33	-2.0	-136.46	320.63	3.88	-132.58
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=CO1	REAL300007921847	1	36	-2.0	-135.85	332.44	3.80	-132.05
CN1C=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)C(C(F)(F)F)=N1	REAL300007921855	1	31	-2.0	-129.20	311.83	1.82	-127.38
CC1=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)C(N)=NO1	REAL300007921904	1	29	-2.0	-117.65	279.38	0.28	-117.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)=N1	REAL300007921940	0	30	-2.0	-142.08	298.93	1.90	-140.18
CC1=NC(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)=C(C2=CC=CC=C2)O1	REAL300007922049	1	37	-2.0	-140.93	346.16	2.11	-138.82
CCN1N=CC(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)=N1	REAL300007922062	1	30	-2.0	-126.91	292.55	-0.23	-127.14
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC=C2)C(F)=C1	REAL300007922072	1	32	-2.0	-131.92	309.81	2.49	-129.43
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=CO1	REAL300007922089	1	25	-2.0	-122.84	270.61	1.42	-121.42
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C=CO1	REAL300007922103	1	33	-2.0	-120.34	322.55	5.15	-115.19
CC1=CC=C2C[C@@H](C)[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007922300	0	44	-2.0	-139.38	385.72	8.33	-131.05
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007922485	1	37	-2.0	-116.11	336.70	5.02	-111.09
CCN1C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007922626	1	39	-2.0	-121.37	350.84	5.44	-115.93
CN1C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007922679	1	37	-2.0	-117.05	340.47	3.46	-113.59
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300007922682	1	37	-2.0	-122.12	330.29	4.95	-117.17
CC1=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(N)=NO1	REAL300007922731	1	35	-2.0	-109.08	308.04	1.92	-107.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300007922766	0	36	-2.0	-114.11	323.94	4.04	-110.07
CC1=NC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007922876	1	43	-2.0	-126.04	376.07	3.81	-122.23
CCN1N=CC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300007922889	1	36	-2.0	-102.42	317.56	1.91	-100.51
COC1=CC(F)=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007922900	1	38	-2.0	-125.43	338.50	4.13	-121.30
CC1N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C2C1(C)C	REAL300007923035	0	44	-2.0	-136.06	370.62	9.63	-126.43
CC(CCF)([N-]S(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007923062	1	27	-2.0	-108.16	273.13	2.88	-105.28
CC(CCF)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007923207	1	33	-2.0	-112.96	300.34	3.72	-109.24
CCN1C=C(S(=O)(=O)[N-]C(C)(CCF)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007923339	1	35	-2.0	-122.96	314.48	4.10	-118.86
CN1C=C(S(=O)(=O)[N-]C(C)(CCF)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007923389	1	33	-2.0	-113.05	304.14	2.18	-110.87
CC(CCF)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007923390	1	33	-2.0	-119.98	293.92	3.65	-116.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(CCF)C(=O)[O-])=N1	REAL300007923468	0	32	-2.0	-128.81	292.49	2.14	-126.67
CC1=NC(S(=O)(=O)[N-]C(C)(CCF)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007923568	1	39	-2.0	-128.85	341.60	2.23	-126.62
CC(CCF)([N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007923598	1	29	-2.0	-112.62	291.49	1.26	-111.36
CC(CCF)([N-]S(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007923601	1	27	-2.0	-108.38	272.96	2.77	-105.61
C[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C[C@H](C)O1	REAL300007923710	0	41	-2.0	-134.78	350.68	5.91	-128.87
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F	REAL300007923742	0	36	-2.0	-110.24	348.31	3.42	-106.82
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)O1	REAL300007923743	0	36	-2.0	-90.58	355.70	4.84	-85.74
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)O1	REAL300007923745	0	36	-2.0	-90.58	355.70	4.84	-85.74
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)=C1	REAL300007923747	0	36	-2.0	-89.84	355.88	4.60	-85.24
O=C([O-])C1=C(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)OC=C1	REAL300007923750	0	36	-2.0	-111.48	352.28	4.89	-106.59
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F	REAL300007923752	0	36	-2.0	-110.24	348.31	3.42	-106.82
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)=NN1	REAL300007923753	1	36	-2.0	-86.10	354.35	2.74	-83.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)=NN1	REAL300007923757	1	36	-2.0	-86.10	354.35	2.74	-83.36
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F	REAL300007923758	0	36	-2.0	-110.24	348.31	3.42	-106.82
CCCN(CC1=CC=CC=C1F)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007923838	0	43	-2.0	-139.04	380.66	9.19	-129.85
CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007923953	0	43	-2.0	-134.98	347.83	7.79	-127.19
COC1=CC=CC=C1[C@@H]1C[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007924064	0	42	-2.0	-137.92	378.72	6.75	-131.17
COC1=CC=CC=C1[C@@H]1C[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007924068	1	36	-2.0	-101.53	348.50	4.15	-97.38
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300007924173	0	38	-2.0	-135.03	364.60	7.83	-127.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=CC=C2Cl)=C1	REAL300007924177	1	32	-2.0	-98.44	334.39	5.22	-93.22
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007924277	0	48	-2.0	-135.85	391.29	7.70	-128.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C3CCCCO3)C2)C=C1C(=O)[O-]	REAL300007924381	0	48	-2.0	-139.13	392.78	7.58	-131.55
CC1=CN=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007924494	0	38	-2.0	-140.46	354.43	3.74	-136.72
CC1=CN=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007924498	1	32	-2.0	-97.66	324.97	1.03	-96.63
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007924611	0	41	-2.0	-136.16	359.34	8.20	-127.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CC[C@@H]2C2=CC=CC=C2)=C1	REAL300007924615	1	35	-2.0	-95.66	330.54	5.80	-89.86
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CC3(F)F)CC2)C=C1C(=O)[O-]	REAL300007924726	0	41	-2.0	-140.56	365.84	7.03	-133.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)=C1	REAL300007924730	1	35	-2.0	-96.58	328.91	4.85	-91.73
CC1C(C(F)(F)F)OCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007924834	0	38	-2.0	-135.90	333.74	5.17	-130.73
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007925154	1	39	-2.0	-105.44	364.89	6.36	-99.08
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300007925205	1	37	-2.0	-100.53	354.57	4.37	-96.16
CC1=C(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)C(N)=NO1	REAL300007925258	1	35	-2.0	-92.29	321.01	2.87	-89.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300007925291	0	36	-2.0	-111.11	341.68	4.46	-106.65
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)=C(C2=CC=CC=C2)O1	REAL300007925398	1	43	-2.0	-108.05	388.90	4.67	-103.38
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300007925411	1	36	-2.0	-99.14	335.29	2.33	-96.81
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(CC(=O)[O-])C=C2)C(F)=C1	REAL300007925422	1	38	-2.0	-103.56	352.57	5.05	-98.51
CC(C)([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300007925510	1	35	-2.0	-121.07	332.88	4.01	-117.06
CC1(C)CCC(C)(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007925635	0	46	-2.0	-136.09	359.82	8.16	-127.93
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCCCC2=CC=CC=C2)=C1	REAL300007925773	1	43	-2.0	-95.05	399.55	7.26	-87.79
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CC2)C=C1C(=O)[O-]	REAL300007925830	0	35	-2.0	-133.93	319.08	5.59	-128.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC=CC2)=C1	REAL300007925832	1	29	-2.0	-95.04	289.62	2.90	-92.14
CC1=CC=C(Br)C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007925880	1	30	-2.0	-115.85	305.51	4.08	-111.77
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300007925990	1	36	-2.0	-123.58	334.44	3.11	-120.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)O1	REAL300007925991	1	36	-2.0	-98.98	341.87	4.51	-94.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)O1	REAL300007925994	1	36	-2.0	-98.98	341.87	4.51	-94.47
O=C([O-])C1=COC(S(=O)(=O)[N-][C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=C1	REAL300007925996	1	36	-2.0	-99.64	342.13	4.25	-95.39
O=C([O-])C1=C(S(=O)(=O)[N-][C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)OC=C1	REAL300007926000	1	36	-2.0	-123.21	338.45	4.57	-118.64
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300007926002	1	36	-2.0	-123.58	334.44	3.11	-120.47
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300007926009	1	36	-2.0	-123.58	334.44	3.11	-120.47
CC1=NOC(C23CC(C2)CN3S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007926090	0	40	-2.0	-139.13	360.32	5.93	-133.20
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3)=CC=C12	REAL300007926121	1	32	-2.0	-116.12	297.27	5.04	-111.08
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(F)=C3)=CC=C12	REAL300007926122	1	32	-2.0	-112.68	303.69	5.11	-107.57
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926123	1	37	-2.0	-125.96	340.05	5.52	-120.44
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CS3)=CC=C12	REAL300007926125	0	29	-2.0	-113.78	289.21	4.05	-109.73
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926126	1	44	-2.0	-115.18	375.96	7.63	-107.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926127	0	32	-2.0	-115.03	311.10	4.84	-110.19
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)S3)=CC=C12	REAL300007926128	0	29	-2.0	-108.03	306.26	4.66	-103.37
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926129	0	39	-2.0	-123.51	346.95	5.50	-118.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926131	0	38	-2.0	-119.53	357.98	2.57	-116.96
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1OC	REAL300007926132	1	43	-2.0	-114.83	371.45	5.01	-109.82
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926133	1	35	-2.0	-109.75	329.49	6.33	-103.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926134	0	32	-2.0	-112.46	301.83	2.75	-109.71
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926137	0	38	-2.0	-113.76	333.97	4.07	-109.69
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CCCCC4)C=C3)=CC=C12	REAL300007926138	1	48	-2.0	-114.73	399.12	8.85	-105.88
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCOC4=C3)=CC=C12	REAL300007926139	1	38	-2.0	-115.97	341.77	4.20	-111.77
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926140	1	38	-2.0	-115.69	340.17	6.48	-109.21
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3Br)=CC=C12	REAL300007926141	0	32	-2.0	-116.17	313.78	5.75	-110.42
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(Br)=C3)=CC=C12	REAL300007926142	1	32	-2.0	-112.39	318.57	5.67	-106.72
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926143	0	32	-2.0	-110.45	297.70	2.09	-108.36
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926144	0	37	-2.0	-126.99	335.65	7.38	-119.61
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926147	1	43	-2.0	-113.11	379.89	6.88	-106.23
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926148	1	35	-2.0	-112.67	325.10	5.78	-106.89
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926151	1	39	-2.0	-115.77	352.34	4.77	-111.00
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926152	0	38	-2.0	-108.72	346.31	2.67	-106.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CN=C4C=C3)=CC=C12	REAL300007926155	1	37	-2.0	-116.09	338.24	5.43	-110.66
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)CC3=NOC=C3)=CC=C12	REAL300007926156	1	31	-2.0	-117.19	295.40	3.10	-114.09
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=NN1C	REAL300007926157	0	35	-2.0	-114.12	317.94	3.28	-110.84
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=NN1C1=CC=CC=N1	REAL300007926160	0	41	-2.0	-117.75	369.48	6.43	-111.32
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300007926161	0	41	-2.0	-113.74	356.71	4.99	-108.75
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926162	0	38	-2.0	-112.64	342.05	4.13	-108.51
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926163	0	41	-2.0	-123.07	361.83	6.30	-116.77
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926164	0	38	-2.0	-122.23	342.72	5.43	-116.80
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1	REAL300007926165	0	38	-2.0	-121.49	341.24	3.47	-118.02
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926166	1	44	-2.0	-114.54	349.44	7.74	-106.80
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926167	1	40	-2.0	-124.36	363.73	4.45	-119.91
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926169	1	35	-2.0	-112.21	317.66	5.86	-106.35
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926170	0	47	-2.0	-114.22	390.05	6.06	-108.16
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)F)C=C3)=CC=C12	REAL300007926171	1	35	-2.0	-112.93	329.46	5.91	-107.02
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926172	0	43	-2.0	-124.60	380.61	4.56	-120.04
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300007926174	0	36	-2.0	-119.39	331.94	4.89	-114.50
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=CC=C2C=C1	REAL300007926177	0	40	-2.0	-133.21	358.79	6.28	-126.93
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCOCC4)N=C3)=CC=C12	REAL300007926180	0	43	-2.0	-112.74	374.44	3.59	-109.15
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926181	0	38	-2.0	-122.27	344.60	5.80	-116.47
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCOC4)N=C3)=CC=C12	REAL300007926187	0	40	-2.0	-111.04	355.33	2.80	-108.24
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1[N+](=O)[O-]	REAL300007926188	0	38	-2.0	-104.77	352.82	5.79	-98.98
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926189	1	38	-2.0	-108.15	351.50	6.81	-101.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926190	1	38	-2.0	-112.62	351.83	6.83	-105.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1C(F)(F)F	REAL300007926191	1	38	-2.0	-108.34	351.71	6.56	-101.78
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926192	1	41	-2.0	-118.90	351.29	7.05	-111.85
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926194	1	39	-2.0	-117.83	348.63	5.27	-112.56
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926195	0	39	-2.0	-110.83	357.03	2.66	-108.17
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(OCC(F)F)C=C3)=CC=C12	REAL300007926197	1	39	-2.0	-116.99	361.63	5.59	-111.40
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4N=C3)=CC=C12	REAL300007926199	0	37	-2.0	-114.97	338.46	5.41	-109.56
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926201	1	39	-2.0	-114.69	343.88	5.08	-109.61
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC(F)(F)F)N=C3)=CC=C12	REAL300007926202	0	35	-2.0	-112.53	341.24	4.11	-108.42
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC(F)F)N=C3)=CC=C12	REAL300007926203	0	35	-2.0	-111.77	335.20	3.94	-107.83
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C2O1	REAL300007926204	1	43	-2.0	-114.37	374.73	6.30	-108.07
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OC(F)(F)O4)=CC=C12	REAL300007926205	0	35	-2.0	-118.26	337.44	4.12	-114.14
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926206	0	36	-2.0	-122.31	333.37	6.11	-116.20
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926207	1	38	-2.0	-117.14	340.17	6.47	-110.67
CC1=NOC(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926215	1	34	-2.0	-113.30	317.34	3.98	-109.32
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300007926216	1	44	-2.0	-114.47	388.00	6.57	-107.90
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007926218	0	38	-2.0	-112.66	351.03	6.33	-106.33
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(CC(F)(F)F)C=C3)=CC=C12	REAL300007926220	1	38	-2.0	-116.10	358.26	6.83	-109.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1N(C)C	REAL300007926222	1	43	-2.0	-116.56	371.89	5.70	-110.86
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4OCCCN4N=C3)=CC=C12	REAL300007926223	0	37	-2.0	-120.62	334.27	1.95	-118.67
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300007926225	1	39	-2.0	-113.00	357.84	5.68	-107.32
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300007926226	1	36	-2.0	-111.87	352.48	6.52	-105.35
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926227	0	44	-2.0	-114.85	373.42	5.63	-109.22
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4ON=C(C5CC5)C4=C3)=CC=C12	REAL300007926229	0	40	-2.0	-105.37	368.43	3.61	-101.76
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C12	REAL300007926230	0	39	-2.0	-105.09	358.52	2.76	-102.33
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CN=C21	REAL300007926231	0	37	-2.0	-109.92	341.63	4.17	-105.75
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN4CCCCC4=N3)=CC=C12	REAL300007926232	0	39	-2.0	-124.98	343.06	5.08	-119.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3CN3C=NC=N3)=CC=C12	REAL300007926233	1	41	-2.0	-112.14	364.59	8.58	-103.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(C)=C1F	REAL300007926234	1	39	-2.0	-111.59	346.95	5.17	-106.42
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4=CC=CC=C4)N=C3)=CC=C12	REAL300007926237	0	40	-2.0	-109.26	366.72	6.34	-102.92
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926238	0	31	-2.0	-102.16	291.74	1.46	-100.70
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926239	1	39	-2.0	-113.33	369.08	5.27	-108.06
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)S3)=CC=C12	REAL300007926242	0	32	-2.0	-106.71	329.85	5.23	-101.48
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=NO1	REAL300007926244	1	43	-2.0	-116.66	378.53	5.84	-110.82
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)=CC=C12	REAL300007926248	0	35	-2.0	-111.12	333.46	5.50	-105.62
CN1C=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300007926259	0	32	-2.0	-120.83	302.12	2.58	-118.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300007926260	1	40	-2.0	-113.68	359.67	6.89	-106.79
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Cl)C=C3)=CC=C12	REAL300007926261	1	32	-2.0	-109.47	314.00	5.56	-103.91
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(Br)C=C3)=CC=C12	REAL300007926262	1	32	-2.0	-109.38	318.57	5.67	-103.71
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3)=CC=C12	REAL300007926263	0	34	-2.0	-104.35	325.51	5.71	-98.64
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4C=C3)=CC=C12	REAL300007926264	1	38	-2.0	-118.44	343.22	7.32	-111.12
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC([N+](=O)[O-])=C3)=CC=C12	REAL300007926265	0	34	-2.0	-112.90	325.50	5.71	-107.19
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926266	0	37	-2.0	-113.60	340.99	6.49	-107.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926267	1	36	-2.0	-113.79	326.77	4.34	-109.45
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])=CC=C12	REAL300007926268	0	34	-2.0	-127.03	315.83	6.43	-120.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926269	1	35	-2.0	-116.23	318.69	5.72	-110.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926270	1	39	-2.0	-113.40	348.62	5.27	-108.13
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300007926271	1	44	-2.0	-116.41	361.36	7.79	-108.62
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926273	1	47	-2.0	-118.23	388.98	8.15	-110.08
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)=CC=C12	REAL300007926274	1	35	-2.0	-112.05	336.01	6.04	-106.01
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926275	1	35	-2.0	-116.88	318.69	5.71	-111.17
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C(F)(F)F)=CC=C12	REAL300007926277	0	35	-2.0	-118.55	323.17	6.42	-112.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(Cl)=C3)=CC=C12	REAL300007926278	1	32	-2.0	-112.49	314.01	5.56	-106.93
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926279	1	37	-2.0	-114.62	338.52	5.45	-109.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926280	1	38	-2.0	-117.06	334.17	6.49	-110.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300007926281	1	38	-2.0	-117.68	335.70	6.25	-111.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1	REAL300007926282	1	38	-2.0	-116.42	334.18	6.48	-109.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300007926283	1	38	-2.0	-113.15	352.80	5.79	-107.36
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926284	1	44	-2.0	-115.38	373.48	7.37	-108.01
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926285	1	41	-2.0	-115.36	357.50	6.97	-108.39
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926286	1	41	-2.0	-115.31	361.67	7.26	-108.05
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926287	0	36	-2.0	-122.84	325.52	4.84	-118.00
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCCOC4=C3)=CC=C12	REAL300007926290	1	41	-2.0	-114.43	360.10	4.99	-109.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300007926291	1	37	-2.0	-113.83	341.48	6.24	-107.59
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926292	0	35	-2.0	-110.24	313.49	2.88	-107.36
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)=CC=C12	REAL300007926293	1	35	-2.0	-107.87	336.01	6.04	-101.83
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCCCC4=C3)=CC=C12	REAL300007926294	1	42	-2.0	-117.65	359.99	7.53	-110.12
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926295	0	40	-2.0	-124.43	355.02	4.12	-120.31
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1OC	REAL300007926296	1	40	-2.0	-114.21	356.01	4.25	-109.96
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCCC4=C3)=CC=C12	REAL300007926297	1	39	-2.0	-117.75	342.80	6.95	-110.80
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926298	0	34	-2.0	-105.48	312.20	3.96	-101.52
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCC4=C3)=CC=C12	REAL300007926300	1	37	-2.0	-114.28	333.20	4.90	-109.38
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926301	1	47	-2.0	-115.18	400.73	8.55	-106.63
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926302	0	37	-2.0	-115.47	351.46	0.00	-115.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC([N+](=O)[O-])=C1C	REAL300007926303	1	40	-2.0	-113.50	361.70	6.89	-106.61
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300007926304	0	40	-2.0	-113.21	358.00	7.02	-106.19
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=C2N=C1	REAL300007926306	0	40	-2.0	-131.24	358.61	6.31	-124.93
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C([N+](=O)[O-])=C1	REAL300007926307	0	38	-2.0	-121.73	347.84	5.75	-115.98
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300007926308	0	36	-2.0	-115.75	342.27	5.35	-110.40
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926309	1	37	-2.0	-119.39	351.46	-0.00	-119.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CN=C12	REAL300007926313	1	40	-2.0	-118.10	353.57	6.31	-111.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300007926314	0	40	-2.0	-126.34	354.92	7.67	-118.67
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926316	1	38	-2.0	-122.55	357.98	2.57	-119.98
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3=CC=CC=C3)=CC=C12	REAL300007926317	1	42	-2.0	-118.58	367.11	8.92	-109.66
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=CC=C43)=CC=C12	REAL300007926319	1	38	-2.0	-123.98	338.32	7.35	-116.63
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C12	REAL300007926320	1	42	-2.0	-115.97	371.46	8.46	-107.51
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926321	1	35	-2.0	-113.24	319.16	5.88	-107.36
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=NSN=C43)=CC=C12	REAL300007926322	0	33	-2.0	-121.70	322.05	3.35	-118.35
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300007926323	0	36	-2.0	-119.14	342.27	5.35	-113.79
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926324	1	36	-2.0	-117.77	326.78	4.34	-113.43
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926325	1	47	-2.0	-115.34	387.70	7.83	-107.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1Cl	REAL300007926326	1	35	-2.0	-113.15	332.74	6.15	-107.00
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926327	1	42	-2.0	-113.54	366.54	5.89	-107.65
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926328	1	38	-2.0	-115.28	327.51	6.76	-108.52
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926329	1	35	-2.0	-116.28	312.77	5.81	-110.47
CC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300007926330	0	35	-2.0	-124.45	320.81	3.94	-120.51
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=NON=C43)=CC=C12	REAL300007926332	0	33	-2.0	-119.33	313.12	3.78	-115.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=CN=C43)=CC=C12	REAL300007926333	0	37	-2.0	-131.45	337.21	5.67	-125.78
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926334	0	38	-2.0	-109.97	353.75	5.50	-104.47
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1F	REAL300007926335	1	36	-2.0	-111.90	332.99	4.42	-107.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300007926336	1	35	-2.0	-113.04	324.00	5.75	-107.29
CN1C=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926338	0	32	-2.0	-123.09	301.30	4.14	-118.95
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CN=C3)=CC=C12	REAL300007926339	0	31	-2.0	-112.24	292.26	3.26	-108.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CC=C12	REAL300007926344	1	42	-2.0	-121.05	366.65	6.70	-114.35
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926345	0	37	-2.0	-104.42	340.99	6.49	-97.93
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926346	1	37	-2.0	-110.64	335.55	6.32	-104.32
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926347	0	40	-2.0	-112.71	355.73	7.43	-105.28
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926348	1	44	-2.0	-115.70	378.42	7.73	-107.97
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926349	1	42	-2.0	-114.59	373.84	5.55	-109.04
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926351	1	35	-2.0	-113.07	329.49	6.34	-106.73
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300007926352	1	42	-2.0	-114.34	370.86	5.93	-108.41
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926353	1	45	-2.0	-112.92	390.22	6.76	-106.16
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926354	1	42	-2.0	-112.87	370.12	6.07	-106.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C=C1Cl	REAL300007926355	1	36	-2.0	-112.03	342.80	4.90	-107.13
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300007926356	1	39	-2.0	-114.66	346.84	5.09	-109.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1OC(C)C	REAL300007926357	1	45	-2.0	-114.43	386.62	6.63	-107.80
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926359	1	43	-2.0	-115.49	382.25	4.54	-110.95
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300007926361	0	40	-2.0	-127.11	347.58	7.87	-119.24
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926362	0	34	-2.0	-112.12	322.51	3.61	-108.51
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC4=CC=CC=C34)=CC=C12	REAL300007926363	0	35	-2.0	-117.17	333.83	6.40	-110.77
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=CC=C1F	REAL300007926365	1	36	-2.0	-108.47	333.00	4.42	-104.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC=C3)=CC=C12	REAL300007926366	0	29	-2.0	-111.85	288.38	3.95	-107.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C4=CC=CC=C4)=C3)=CC=C12	REAL300007926367	1	42	-2.0	-120.11	371.48	8.46	-111.65
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926370	0	40	-2.0	-131.73	358.55	6.32	-125.41
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1C	REAL300007926371	0	40	-2.0	-114.05	361.16	2.70	-111.35
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CN=C2C=C1	REAL300007926374	1	40	-2.0	-115.94	347.25	6.42	-109.52
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CN=CC=C43)=CC=C12	REAL300007926375	1	37	-2.0	-121.89	333.64	5.57	-116.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C([N+](=O)[O-])=N1	REAL300007926376	0	37	-2.0	-119.00	347.59	5.88	-113.12
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926377	1	40	-2.0	-125.80	360.36	6.31	-119.49
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC4=CC=CC=C4)N=C3)=CC=C12	REAL300007926379	0	42	-2.0	-113.25	383.26	6.61	-106.64
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4NC=CC=C34)=CC=C12	REAL300007926380	0	35	-2.0	-135.94	325.47	4.24	-131.70
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926385	0	42	-2.0	-124.55	368.80	6.42	-118.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(N4C=NN=N4)=C3)=CC=C12	REAL300007926386	1	37	-2.0	-125.87	345.55	5.22	-120.65
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4=CC=CC=C4)N=C3)=CC=C12	REAL300007926387	0	39	-2.0	-113.48	357.84	6.16	-107.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3CCCC4)=CC=C12	REAL300007926388	1	42	-2.0	-119.91	352.60	7.67	-112.24
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4COCC4=C3)=CC=C12	REAL300007926390	1	37	-2.0	-114.10	333.25	4.34	-109.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3OC(F)F)=CC=C12	REAL300007926395	0	36	-2.0	-118.18	335.27	5.11	-113.07
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926396	1	36	-2.0	-113.56	337.47	6.06	-107.50
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=C1C	REAL300007926400	0	38	-2.0	-124.35	342.82	4.85	-119.50
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCO4)=CC=C12	REAL300007926401	0	38	-2.0	-121.39	340.40	4.70	-116.69
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=NC=CC=C43)=CC=C12	REAL300007926402	1	37	-2.0	-117.03	333.44	5.48	-111.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C(F)(F)F	REAL300007926405	1	38	-2.0	-112.52	351.70	6.57	-105.95
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)=CC=C12	REAL300007926406	1	41	-2.0	-114.97	362.12	6.64	-108.33
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C12	REAL300007926407	0	40	-2.0	-109.76	363.59	4.77	-104.99
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926409	1	39	-2.0	-118.08	352.35	4.76	-113.32
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=C2O1	REAL300007926410	0	43	-2.0	-127.67	375.15	6.26	-121.41
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926411	0	35	-2.0	-112.64	323.36	3.61	-109.03
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926414	0	32	-2.0	-107.19	297.52	2.68	-104.51
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C2O1	REAL300007926417	1	40	-2.0	-113.88	354.34	5.66	-108.22
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926418	1	44	-2.0	-117.10	362.01	8.27	-108.83
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC(C4=CC=CC=C4)=N3)=CC=C12	REAL300007926419	0	38	-2.0	-119.77	363.71	5.72	-114.05
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2)=CO1	REAL300007926423	1	41	-2.0	-118.19	373.67	4.11	-114.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C(F)(F)F)=N1	REAL300007926424	0	35	-2.0	-113.71	335.90	3.89	-109.82
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(C)O1	REAL300007926425	0	35	-2.0	-114.02	320.25	4.62	-109.40
CC1=CSC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926426	0	32	-2.0	-114.09	310.84	4.70	-109.39
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)=CC=C12	REAL300007926427	0	35	-2.0	-116.88	327.04	5.43	-111.45
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCOC4=C3)=CC=C12	REAL300007926428	1	35	-2.0	-112.06	323.33	3.70	-108.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926429	0	35	-2.0	-108.77	324.45	1.73	-107.04
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CO3)=CC=C12	REAL300007926430	0	29	-2.0	-113.31	279.96	3.03	-110.28
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4CCCN34)=CC=C12	REAL300007926431	0	36	-2.0	-118.15	325.41	4.47	-113.68
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=COC=C3)=CC=C12	REAL300007926432	0	29	-2.0	-112.24	279.81	2.93	-109.31
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)SC=C1	REAL300007926433	0	32	-2.0	-116.73	308.02	4.67	-112.06
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCCC4=C3)=CC=C12	REAL300007926434	1	40	-2.0	-115.49	350.98	5.67	-109.82
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC=N3)=CC=C12	REAL300007926437	0	29	-2.0	-121.09	278.74	2.42	-118.67
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=N2)C=C1	REAL300007926438	0	42	-2.0	-113.07	379.25	6.84	-106.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1[N+](=O)[O-]	REAL300007926439	0	37	-2.0	-104.82	341.49	6.23	-98.59
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926442	0	35	-2.0	-113.27	320.66	3.40	-109.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300007926443	0	32	-2.0	-114.57	301.88	3.86	-110.71
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N(C)N=C1	REAL300007926444	0	35	-2.0	-107.93	314.16	3.52	-104.41
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4C=CSC4=C3)=CC=C12	REAL300007926445	0	34	-2.0	-112.67	329.27	4.53	-108.14
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2C=C1	REAL300007926447	1	41	-2.0	-118.04	364.58	7.98	-110.06
COC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)SC=C1	REAL300007926448	0	33	-2.0	-124.43	319.45	3.32	-121.11
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926450	1	40	-2.0	-118.66	348.78	5.44	-113.22
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCC4)=CC=C12	REAL300007926452	0	37	-2.0	-125.27	333.59	4.87	-120.40
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)CC3=NOC4=CC=CC=C43)=CC=C12	REAL300007926453	1	37	-2.0	-118.20	343.76	5.16	-113.04
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCOC4=C3)=CC=C12	REAL300007926454	1	37	-2.0	-118.12	333.08	4.89	-113.23
CN1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C21	REAL300007926456	1	44	-2.0	-119.23	371.50	5.59	-113.64
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)N=C3)=CC=C12	REAL300007926457	0	34	-2.0	-104.85	331.99	4.29	-100.56
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926458	0	40	-2.0	-129.09	351.26	5.55	-123.54
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926459	1	40	-2.0	-109.72	359.31	7.11	-102.61
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1[N+](=O)[O-]	REAL300007926460	0	40	-2.0	-127.26	358.06	8.24	-119.02
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1[N+](=O)[O-]	REAL300007926461	1	40	-2.0	-114.93	356.60	7.02	-107.91
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926463	0	35	-2.0	-112.06	321.85	2.52	-109.54
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926464	0	41	-2.0	-115.29	370.27	6.69	-108.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CC4)C=C3)=CC=C12	REAL300007926465	1	39	-2.0	-115.46	346.50	7.15	-108.31
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926466	0	40	-2.0	-118.41	356.26	3.65	-114.76
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C3C(C(=O)[O-])=CNC3=C1)OCO2	REAL300007926469	1	38	-2.0	-112.61	338.77	4.48	-108.13
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4OC=CC4=CC=C3)=CC=C12	REAL300007926470	0	35	-2.0	-124.15	325.20	5.36	-118.79
COC1=CC(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])=CC=C1Cl	REAL300007926471	1	36	-2.0	-109.11	342.80	4.90	-104.21
CN1C=NC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300007926473	1	38	-2.0	-123.75	345.55	6.40	-117.35
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C2C=C1	REAL300007926474	0	40	-2.0	-131.57	350.91	6.80	-124.77
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=C2O1	REAL300007926475	1	37	-2.0	-113.15	340.93	2.70	-110.45
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1CC	REAL300007926476	1	44	-2.0	-117.51	374.33	7.61	-109.90
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926477	0	40	-2.0	-103.68	355.63	7.38	-96.30
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926478	0	42	-2.0	-122.60	360.82	6.80	-115.80
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926479	0	35	-2.0	-116.06	330.93	5.46	-110.60
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926480	0	33	-2.0	-106.80	319.50	2.88	-103.92
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926481	0	31	-2.0	-111.52	305.81	2.87	-108.65
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926482	0	34	-2.0	-111.12	327.29	3.62	-107.50
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(N)=NO1	REAL300007926483	0	33	-2.0	-105.05	303.71	2.44	-102.61
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926484	1	39	-2.0	-114.32	345.66	4.91	-109.41
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926485	0	35	-2.0	-117.83	329.90	5.48	-112.35
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3=CC=NO3)=CC=C12	REAL300007926486	0	38	-2.0	-126.02	346.57	7.06	-118.96
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCO4)=CC=C12	REAL300007926487	0	35	-2.0	-120.23	323.89	3.68	-116.55
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC(C)=C1F	REAL300007926488	1	38	-2.0	-110.04	344.31	6.38	-103.66
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4OCCC(=O)C4=C3)=CC=C12	REAL300007926489	1	39	-2.0	-120.84	353.28	4.79	-116.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=CC=CC(F)=C34)=CC=C12	REAL300007926491	0	36	-2.0	-127.96	335.66	5.12	-122.84
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C4N=CSC4=CC=C3)=CC=C12	REAL300007926492	0	34	-2.0	-125.88	328.48	4.47	-121.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926493	0	34	-2.0	-112.68	313.88	3.88	-108.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=C1Cl	REAL300007926497	1	35	-2.0	-110.27	332.74	6.15	-104.12
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCC(=O)C4=C3)=CC=C12	REAL300007926498	1	38	-2.0	-124.45	345.37	6.03	-118.42
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCC4)=CC=C12	REAL300007926499	0	40	-2.0	-125.38	349.46	6.26	-119.12
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=C3OCCCO4)=CC=C12	REAL300007926500	0	41	-2.0	-121.87	358.98	5.41	-116.46
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926503	1	45	-2.0	-118.26	387.31	6.70	-111.56
CCC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN1CC1CC1	REAL300007926508	0	45	-2.0	-124.76	391.39	6.83	-117.93
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4CC4)S3)=CC=C12	REAL300007926509	0	35	-2.0	-111.98	337.03	4.55	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1[N+](=O)[O-]	REAL300007926510	1	40	-2.0	-110.53	361.35	7.36	-103.17
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926511	0	39	-2.0	-110.54	343.83	4.93	-105.61
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926512	0	35	-2.0	-101.57	338.89	3.67	-97.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4CCC5=C4C3=CC=C5)=CC=C12	REAL300007926513	1	42	-2.0	-126.44	363.38	8.44	-118.00
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300007926515	0	34	-2.0	-126.69	324.35	4.02	-122.67
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CC=C2C=C1	REAL300007926516	1	41	-2.0	-123.03	352.30	8.32	-114.71
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926517	0	41	-2.0	-109.21	366.46	3.60	-105.61
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300007926518	0	36	-2.0	-115.67	330.03	5.18	-110.49
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1F	REAL300007926519	1	44	-2.0	-112.56	375.50	7.30	-105.26
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926520	0	42	-2.0	-111.56	358.26	5.16	-106.40
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C(C)(C)C)=N1	REAL300007926521	0	44	-2.0	-112.21	365.70	5.66	-106.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCCC4)N=C3)=CC=C12	REAL300007926522	0	42	-2.0	-112.51	364.70	5.40	-107.11
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926523	0	35	-2.0	-105.70	330.59	3.99	-101.71
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1	REAL300007926525	1	42	-2.0	-115.21	374.48	7.83	-107.38
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926526	0	38	-2.0	-113.42	340.13	4.20	-109.22
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926528	1	38	-2.0	-109.09	344.13	7.22	-101.87
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926531	1	41	-2.0	-115.92	349.00	7.54	-108.38
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926532	0	35	-2.0	-119.00	323.22	2.24	-116.76
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC4=CC=NC=C43)=CC=C12	REAL300007926533	0	37	-2.0	-123.48	333.53	5.55	-117.93
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N1C	REAL300007926534	0	35	-2.0	-112.19	316.46	4.08	-108.11
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=N3)=CC=C12	REAL300007926535	0	31	-2.0	-120.24	293.88	3.08	-117.16
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926536	0	35	-2.0	-111.37	320.33	5.74	-105.63
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCC4)N=C3)=CC=C12	REAL300007926537	0	39	-2.0	-112.69	347.18	4.72	-107.97
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3C3CCC3)=CC=C12	REAL300007926538	0	39	-2.0	-109.49	344.57	4.94	-104.55
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3CC3CCC3)=CC=C12	REAL300007926539	0	42	-2.0	-108.16	357.45	5.87	-102.29
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=NN2C1	REAL300007926540	0	43	-2.0	-120.73	372.32	3.05	-117.68
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C(C4=CC=CC=C4)S3)=CC=C12	REAL300007926541	0	38	-2.0	-113.85	364.12	5.95	-107.90
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4CCCCN34)=CC=C12	REAL300007926542	0	39	-2.0	-116.05	341.64	5.07	-110.98
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C2C(=C1)NC=C2C(=O)[O-]	REAL300007926543	0	42	-2.0	-121.03	371.71	6.44	-114.59
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=C2O1	REAL300007926544	0	40	-2.0	-126.49	354.45	5.62	-120.87
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926545	0	40	-2.0	-112.05	365.95	4.71	-107.34
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926546	0	37	-2.0	-129.05	339.02	4.63	-124.42
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926547	0	34	-2.0	-102.49	311.21	2.38	-100.11
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=NON=C4C=C3)=CC=C12	REAL300007926549	1	33	-2.0	-104.44	312.16	3.82	-100.62
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4S3)=CC=C12	REAL300007926550	0	35	-2.0	-117.07	336.13	6.47	-110.60
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926551	0	39	-2.0	-108.22	348.21	4.82	-103.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1F	REAL300007926552	1	41	-2.0	-112.13	353.02	7.39	-104.74
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1OC	REAL300007926553	0	40	-2.0	-120.56	353.03	4.96	-115.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=COC4=CC=CC=C34)=CC=C12	REAL300007926554	0	35	-2.0	-117.19	327.05	5.32	-111.87
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2CCCC2)=N1	REAL300007926555	0	45	-2.0	-116.62	386.06	5.94	-110.68
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926556	0	44	-2.0	-114.23	376.45	5.66	-108.57
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=N1	REAL300007926557	0	44	-2.0	-112.85	385.20	5.81	-107.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2CC2)=N1	REAL300007926558	0	39	-2.0	-115.89	352.58	4.96	-110.93
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(OC(F)F)C=C3)=CC=C12	REAL300007926559	1	36	-2.0	-114.94	336.52	4.62	-110.32
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)C=CC=C21	REAL300007926560	0	37	-2.0	-131.75	341.82	3.44	-128.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2CCC2)=N1	REAL300007926562	0	42	-2.0	-116.05	368.80	5.45	-110.60
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CC4CCC4)N=C3)=CC=C12	REAL300007926563	0	42	-2.0	-112.87	371.25	5.69	-107.18
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(C4CC4)C=CS3)=CC=C12	REAL300007926564	0	36	-2.0	-118.81	334.03	6.24	-112.57
COC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C2C=C1	REAL300007926565	0	41	-2.0	-140.01	362.71	6.25	-133.76
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926566	1	41	-2.0	-117.24	361.67	7.25	-109.99
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926567	0	39	-2.0	-112.01	341.95	4.63	-107.38
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926569	1	38	-2.0	-114.52	326.93	6.67	-107.85
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926570	0	41	-2.0	-107.01	344.27	4.95	-102.06
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926571	0	41	-2.0	-113.38	361.77	4.76	-108.62
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNN=C3C3CCC3)=CC=C12	REAL300007926572	0	39	-2.0	-113.15	345.83	4.14	-109.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CN=C1C(F)(F)F	REAL300007926573	0	37	-2.0	-105.27	348.20	4.86	-100.41
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926574	0	35	-2.0	-108.02	319.45	3.27	-104.75
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1C	REAL300007926575	1	38	-2.0	-116.94	330.48	6.38	-110.56
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926576	1	43	-2.0	-125.25	381.86	7.08	-118.17
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)CC3=NOC4=C3COCC4)=CC=C12	REAL300007926580	1	39	-2.0	-119.55	349.72	3.46	-116.09
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC=C3C(F)(F)F)=CC=C12	REAL300007926582	0	32	-2.0	-114.69	317.29	5.28	-109.41
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(C4CC4)=C3)=CC=C12	REAL300007926583	1	39	-2.0	-117.11	346.50	7.15	-109.96
COC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=CS1	REAL300007926584	0	33	-2.0	-119.35	319.52	3.50	-115.85
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3C3CCCC3)=CC=C12	REAL300007926585	0	42	-2.0	-109.94	362.10	5.65	-104.29
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926586	0	41	-2.0	-109.32	357.23	4.95	-104.37
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300007926588	0	35	-2.0	-114.57	323.36	4.64	-109.93
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926590	1	38	-2.0	-114.89	350.49	6.57	-108.32
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC(OC(F)F)=C3)=CC=C12	REAL300007926591	1	36	-2.0	-114.96	336.53	4.62	-110.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)S1	REAL300007926593	0	33	-2.0	-112.12	321.07	3.49	-108.63
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C12	REAL300007926594	0	43	-2.0	-131.81	368.74	7.38	-124.43
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(CCF)N=C3)=CC=C12	REAL300007926596	0	35	-2.0	-110.20	329.95	3.74	-106.46
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926597	1	42	-2.0	-118.22	374.20	5.73	-112.49
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926598	0	42	-2.0	-110.09	376.95	6.23	-103.86
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN(C4CCCCC4)N=C3)=CC=C12	REAL300007926599	0	45	-2.0	-112.09	383.69	5.99	-106.10
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3CF)=CC=C12	REAL300007926600	1	35	-2.0	-117.61	318.92	5.96	-111.65
CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926601	0	34	-2.0	-112.59	313.72	3.91	-108.68
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=CC=CC=C12	REAL300007926602	1	41	-2.0	-124.65	356.05	7.88	-116.77
CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2=CC=CC=C2)=N1	REAL300007926603	0	42	-2.0	-117.69	374.67	6.46	-111.23
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=C4C=CC=CN34)=CC=C12	REAL300007926608	0	35	-2.0	-117.44	322.78	5.44	-112.00
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C4SC=NC4=C3)=CC=C12	REAL300007926610	1	34	-2.0	-116.59	328.22	4.44	-112.15
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)CC3COCCO3)=CC=C12	REAL300007926612	1	37	-2.0	-116.61	325.48	2.28	-114.33
CC1=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C(C2=CC=CC=C2)O1	REAL300007926613	0	41	-2.0	-124.81	373.32	4.01	-120.80
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=N1	REAL300007926625	0	34	-2.0	-112.32	317.99	1.91	-110.41
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C4CC4)S3)=CC=C12	REAL300007926627	0	36	-2.0	-115.32	341.10	6.36	-108.96
CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926629	0	37	-2.0	-116.59	324.99	2.01	-114.58
CC1=COC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926630	0	32	-2.0	-113.86	301.86	3.72	-110.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)O1	REAL300007926631	0	32	-2.0	-114.57	301.88	3.86	-110.71
CCC1=NNC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926632	0	35	-2.0	-110.60	317.17	2.89	-107.71
COC1=CSC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1OC	REAL300007926633	0	37	-2.0	-117.79	350.28	3.05	-114.74
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(F)=C1	REAL300007926636	0	36	-2.0	-118.43	335.26	4.63	-113.80
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926637	0	38	-2.0	-112.56	341.70	4.98	-107.58
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C4C(C(=O)[O-])=CNC4=C3)=CC=C21	REAL300007926638	1	39	-2.0	-121.86	350.99	6.80	-115.06
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926639	0	38	-2.0	-127.58	335.13	6.87	-120.71
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926640	1	43	-2.0	-118.51	380.95	6.67	-111.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C2CC2)=N1	REAL300007926641	0	42	-2.0	-116.02	374.11	5.83	-110.19
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NSN=C2C=C1	REAL300007926642	0	36	-2.0	-122.63	335.56	4.38	-118.25
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CSC(C(F)(F)F)=N3)=CC=C12	REAL300007926643	0	31	-2.0	-111.63	324.62	3.03	-108.60
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926644	0	45	-2.0	-110.93	384.04	6.25	-104.68
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=C(Cl)OC=C3)=CC=C12	REAL300007926645	0	29	-2.0	-111.39	296.05	3.54	-107.85
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(Cl)=CS3)=CC=C12	REAL300007926646	0	29	-2.0	-108.87	306.09	4.56	-104.31
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926647	0	40	-2.0	-109.20	349.59	2.79	-106.41
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=CC=C3C3CC3)=CC=C12	REAL300007926648	1	39	-2.0	-119.87	340.83	7.21	-112.66
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926650	0	35	-2.0	-113.24	339.99	2.72	-110.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=C1C	REAL300007926651	0	38	-2.0	-109.63	344.59	2.46	-107.17
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=N1	REAL300007926652	0	41	-2.0	-112.77	364.69	5.14	-107.63
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926653	0	41	-2.0	-113.57	360.89	4.78	-108.79
COCC1=CC(CS(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=NO1	REAL300007926655	1	38	-2.0	-116.12	351.00	2.99	-113.13
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=C1	REAL300007926656	0	43	-2.0	-118.64	369.68	5.45	-113.19
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926657	0	38	-2.0	-108.66	339.00	4.32	-104.34
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3CC3CC3)=CC=C12	REAL300007926658	0	39	-2.0	-108.23	349.49	5.18	-103.05
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NN3C3=CC=CC=C3)=CC=C12	REAL300007926659	0	39	-2.0	-113.57	351.01	6.19	-107.38
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=C(C(F)F)C=N3)=CC=C12	REAL300007926660	0	34	-2.0	-116.23	325.47	3.98	-112.25
CC1=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C=NN1C(C)C	REAL300007926662	0	41	-2.0	-114.65	360.36	4.85	-109.80
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=NC=CC4=CC=CC=C43)=CC=C12	REAL300007926663	0	37	-2.0	-126.09	333.88	5.54	-120.55
CC1=CN=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C(C)=C1	REAL300007926664	0	37	-2.0	-120.59	329.78	4.65	-115.94
CC1=CN=CC=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926665	1	34	-2.0	-109.93	308.30	4.01	-105.92
COC1=CC=NC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926669	0	35	-2.0	-119.87	322.86	2.47	-117.40
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(=C2)NC=C3C(=O)[O-])C(C(F)F)=C1	REAL300007926671	1	39	-2.0	-121.29	347.73	5.63	-115.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)N=C1	REAL300007926672	0	35	-2.0	-116.94	322.70	2.42	-114.52
CC1=CC=CN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926673	0	34	-2.0	-119.66	308.10	3.92	-115.74
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC=NC4=CC=CC=C43)=CC=C12	REAL300007926674	0	37	-2.0	-115.69	333.91	5.45	-110.24
CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC=C2C(C(=O)[O-])=CNC2=C1	REAL300007926675	0	38	-2.0	-128.43	342.16	4.33	-124.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)C2=NC=CC=C12	REAL300007926676	0	40	-2.0	-131.79	355.00	6.20	-125.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=CC=N1	REAL300007926677	1	34	-2.0	-110.10	314.07	3.89	-106.21
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CNC4=CC=CC=C43)=CC=C12	REAL300007926678	0	36	-2.0	-122.11	331.02	5.01	-117.10
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CN=CS3)=CC=C12	REAL300007926680	0	28	-2.0	-110.19	283.87	2.16	-108.03
O=C([O-])C1=CNC2=CC([N-]S(=O)(=O)C3=CC(C(F)F)=CC=N3)=CC=C12	REAL300007926681	0	34	-2.0	-124.85	327.48	4.10	-120.75
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C3C(C(=O)[O-])=CNC3=C2)=C1	REAL300007926682	0	45	-2.0	-125.47	386.72	7.04	-118.43
O=C([O-])C1=CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007926833	1	32	-2.0	-101.66	304.72	4.22	-97.44
CCN1C=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007926960	1	34	-2.0	-110.24	317.85	4.65	-105.59
CN1C=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007927009	1	32	-2.0	-104.69	306.17	2.61	-102.08
O=C([O-])C1=CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007927010	1	32	-2.0	-107.34	298.31	4.15	-103.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)=N1	REAL300007927086	0	31	-2.0	-115.77	294.56	2.76	-113.01
CC1=NC(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007927190	1	38	-2.0	-116.29	343.53	2.73	-113.56
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C(F)=C1	REAL300007927208	1	33	-2.0	-107.73	306.53	3.33	-104.40
CC1(C)OCC2CC21NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007927947	0	39	-2.0	-141.39	324.21	4.19	-137.20
CC1(C)OCC2CC21[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007927951	1	33	-2.0	-97.69	310.41	1.82	-95.87
CCC(CCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007928058	0	46	-2.0	-137.65	397.22	9.08	-128.57
CCC(CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007928062	1	40	-2.0	-96.80	372.82	6.61	-90.19
CC1([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC(F)(F)CC1	REAL300007928525	1	34	-2.0	-116.18	290.67	2.48	-113.70
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCC(F)(F)CC1	REAL300007928545	1	34	-2.0	-93.20	298.33	3.67	-89.53
CC1([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCC(F)(F)CC1	REAL300007928550	1	33	-2.0	-120.58	295.71	3.26	-117.32
CC1([N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCC(F)(F)CC1	REAL300007928587	1	34	-2.0	-117.80	294.68	3.95	-113.85
CC1([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC(F)(F)CC1	REAL300007928589	1	34	-2.0	-116.18	290.67	2.48	-113.70
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC(F)(F)CC1	REAL300007928591	0	40	-2.0	-134.74	333.79	6.13	-128.61
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC(F)(F)CC1	REAL300007928595	0	34	-2.0	-89.20	312.98	4.22	-84.98
CC1([N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CCC(F)(F)CC1	REAL300007928612	1	34	-2.0	-116.18	290.67	2.48	-113.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(F)(F)CC2)C=C1C(=O)[O-]	REAL300007928708	0	37	-2.0	-139.19	320.99	6.79	-132.40
COC1=CC=CC(CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300007928830	1	41	-2.0	-132.22	372.29	6.19	-126.03
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC(OC)=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007928923	1	43	-2.0	-141.63	393.34	5.94	-135.69
COC1=CC=CC(CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300007928958	1	41	-2.0	-140.16	367.80	6.05	-134.11
COC1=CC=CC(CC([N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])=C1	REAL300007929009	1	39	-2.0	-123.56	342.54	3.09	-120.47
COC1=CC=CC(CC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300007929030	0	40	-2.0	-151.70	365.13	4.66	-147.04
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=CC(OC)=C2)C(=O)[O-])=N1	REAL300007929118	1	40	-2.0	-135.70	356.82	2.60	-133.10
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300007929248	0	39	-2.0	-148.18	327.19	7.30	-140.88
CC1(C)CCCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])C1	REAL300007929683	1	43	-2.0	-130.62	346.57	7.33	-123.29
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)C([N+](=O)[O-])=N1	REAL300007929809	1	45	-2.0	-137.77	358.13	7.55	-130.22
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)C(C(F)(F)F)=N1	REAL300007929853	1	43	-2.0	-129.90	346.62	5.57	-124.33
CC1(C)CCCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300007929856	1	43	-2.0	-138.56	339.99	7.27	-131.29
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)C(N)=NO1	REAL300007929911	1	41	-2.0	-119.79	318.39	4.21	-115.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300007929943	0	42	-2.0	-144.04	336.82	5.63	-138.41
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)=C(C2=CC=CC=C2)O1	REAL300007930036	1	49	-2.0	-132.27	385.58	5.96	-126.31
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300007930048	1	42	-2.0	-131.39	330.72	3.77	-127.62
O=C([O-])CCCCCCCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007930854	1	54	-2.0	-98.06	456.42	9.26	-88.80
CC1=C(S(=O)(=O)[N-]CCCCCCCCCCCC(=O)[O-])C(N)=NO1	REAL300007930884	1	52	-2.0	-87.75	433.09	6.26	-81.49
CCN1N=CC(S(=O)(=O)[N-]CCCCCCCCCCCC(=O)[O-])=N1	REAL300007930939	1	53	-2.0	-94.64	447.52	5.71	-88.93
O=C([O-])C1=CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007932608	1	32	-2.0	-101.66	304.72	4.22	-97.44
CCN1C=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007932735	1	34	-2.0	-110.24	317.85	4.65	-105.59
CN1C=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007932784	1	32	-2.0	-104.69	306.17	2.61	-102.08
O=C([O-])C1=CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007932785	1	32	-2.0	-107.34	298.31	4.15	-103.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)=N1	REAL300007932861	0	31	-2.0	-115.77	294.56	2.76	-113.01
CC1=NC(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007932965	1	38	-2.0	-116.29	343.53	2.73	-113.56
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC=C(C(=O)[O-])C2)C(F)=C1	REAL300007932983	1	33	-2.0	-107.73	306.53	3.33	-104.40
CCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007933121	0	42	-2.0	-134.50	369.11	6.92	-127.58
CCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007933125	1	36	-2.0	-93.52	339.65	4.24	-89.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300007933230	0	42	-2.0	-142.66	368.12	9.05	-133.61
CC1(C)CC1(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300007933343	0	44	-2.0	-138.94	380.22	8.48	-130.46
CN(CC1CC1(C)C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007933444	0	40	-2.0	-135.24	352.87	7.60	-127.64
O=C([O-])C1=CC=C(S(=O)(=O)NCCOCCF)C=C1C(=O)[O-]	REAL300007933521	0	34	-2.0	-141.87	323.41	3.25	-138.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCOCCF)=C1	REAL300007933524	1	28	-2.0	-97.36	294.19	0.54	-96.82
CCCCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007933616	0	54	-2.0	-133.97	438.68	10.47	-123.50
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(C)(C(F)F)O1	REAL300007933723	0	41	-2.0	-136.42	353.98	5.63	-130.79
CC1(C(F)F)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007933927	0	38	-2.0	-135.16	338.97	5.13	-130.03
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CN=CC=C1C(F)(F)F	REAL300007933972	1	30	-2.0	-122.08	294.79	1.04	-121.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)O1	REAL300007933977	1	30	-2.0	-101.73	303.43	2.37	-99.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)O1	REAL300007933978	1	33	-2.0	-101.70	321.67	2.84	-98.86
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)O1	REAL300007933984	1	30	-2.0	-101.73	303.43	2.37	-99.36
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)=C1	REAL300007933993	1	30	-2.0	-99.61	303.67	2.11	-97.50
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1=CN=CC=C1C(F)(F)F	REAL300007933997	1	29	-2.0	-119.68	296.36	2.32	-117.36
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)SC=N1	REAL300007933998	1	29	-2.0	-123.21	300.25	1.71	-121.50
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)=C1	REAL300007934021	1	33	-2.0	-104.01	321.41	2.96	-101.05
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)OC=C1	REAL300007934023	1	30	-2.0	-121.50	295.90	2.85	-118.65
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CN=CC=C1C(F)(F)F	REAL300007934026	1	30	-2.0	-122.08	294.79	1.04	-121.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN=CC=C2C(F)(F)F)=C1	REAL300007934030	0	30	-2.0	-95.50	318.33	2.65	-92.85
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CN=CC=C1C(F)(F)F	REAL300007934043	1	30	-2.0	-122.08	294.79	1.04	-121.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)C=C1C(=O)[O-]	REAL300007934134	0	44	-2.0	-139.08	354.21	8.09	-130.99
CC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007934207	0	35	-2.0	-137.61	310.39	6.25	-131.36
CC1(C)CC1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007934295	1	41	-2.0	-98.01	379.05	6.35	-91.66
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)(F)F	REAL300007934401	1	33	-2.0	-118.63	297.96	1.69	-116.94
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)CC(F)(F)F	REAL300007934406	1	33	-2.0	-96.50	305.33	3.09	-93.41
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)O1	REAL300007934407	1	36	-2.0	-97.62	323.50	3.58	-94.04
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)CC(F)(F)F	REAL300007934413	1	33	-2.0	-96.50	305.33	3.09	-93.41
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)CC(F)(F)F	REAL300007934425	1	33	-2.0	-95.48	305.58	2.84	-92.64
CC(C)(C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])CC(F)(F)F	REAL300007934429	1	32	-2.0	-115.47	298.83	3.00	-112.47
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)CC(F)(F)F	REAL300007934430	1	32	-2.0	-118.73	302.34	2.45	-116.28
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)=C1	REAL300007934466	1	36	-2.0	-98.48	323.24	3.70	-94.78
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)CC(F)(F)F	REAL300007934468	1	33	-2.0	-119.07	301.93	3.16	-115.91
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)(F)F	REAL300007934471	1	33	-2.0	-118.63	297.96	1.69	-116.94
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC(F)(F)F	REAL300007934473	0	39	-2.0	-135.24	347.28	6.01	-129.23
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC(F)(F)F	REAL300007934477	0	33	-2.0	-91.32	320.17	3.40	-87.92
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)(F)F	REAL300007934496	1	33	-2.0	-118.63	297.96	1.69	-116.94
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007934544	0	35	-2.0	-134.28	308.92	6.67	-127.61
CC1=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(C)=C1	REAL300007934648	0	40	-2.0	-134.71	364.34	7.35	-127.36
CCSC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007934765	0	38	-2.0	-132.98	354.62	6.42	-126.56
CCSC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007934769	1	32	-2.0	-96.35	328.51	4.03	-92.32
CC1(C)C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C1(F)F	REAL300007934808	1	31	-2.0	-122.90	290.56	1.40	-121.50
CC1(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1(F)F	REAL300007934832	1	31	-2.0	-98.98	298.19	2.55	-96.43
CC1(C)C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1(F)F	REAL300007934837	1	30	-2.0	-127.09	294.77	2.15	-124.94
CC1(C)C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1(F)F	REAL300007934879	1	31	-2.0	-121.67	291.66	3.20	-118.47
CC1(C)C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C1(F)F	REAL300007934881	1	31	-2.0	-122.90	290.56	1.40	-121.50
CC1(C)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1(F)F	REAL300007934883	0	37	-2.0	-136.91	342.29	5.77	-131.14
CC1(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1(F)F	REAL300007934887	0	31	-2.0	-94.89	312.84	3.09	-91.80
CC1(C)C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])C1(F)F	REAL300007934906	1	31	-2.0	-122.90	290.56	1.40	-121.50
COC1=CC=C2CCCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300007934989	0	42	-2.0	-148.27	358.06	7.73	-140.54
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3CC3)(C3CC3)C2)C=C1C(=O)[O-]	REAL300007935092	0	46	-2.0	-134.63	380.27	7.74	-126.89
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCC(F)CC1	REAL300007935206	0	43	-2.0	-135.38	364.29	6.91	-128.47
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCC(F)CC1	REAL300007935210	1	37	-2.0	-93.61	333.89	4.54	-89.07
COC1=CC=CC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1C	REAL300007935281	1	34	-2.0	-125.11	312.22	2.83	-122.28
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300007935325	0	41	-2.0	-136.56	366.97	5.92	-130.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(CC(F)(F)F)C2)C=C1C(=O)[O-]	REAL300007935456	0	38	-2.0	-138.71	351.11	5.67	-133.04
CC1=NN=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007935747	0	35	-2.0	-135.77	334.24	4.44	-131.33
CN(CC1=CCSC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007935868	0	36	-2.0	-137.32	335.58	7.37	-129.95
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300007935991	1	42	-2.0	-93.57	373.54	1.74	-91.83
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300007936035	0	43	-2.0	-101.88	382.66	0.64	-101.24
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007936049	1	31	-2.0	-104.84	294.89	3.67	-101.17
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007936165	1	33	-2.0	-115.33	309.00	4.07	-111.26
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007936214	1	31	-2.0	-105.99	297.62	2.05	-103.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300007936273	0	30	-2.0	-120.43	287.02	2.12	-118.31
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007936357	1	37	-2.0	-113.76	333.41	2.39	-111.37
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300007936372	1	32	-2.0	-110.63	296.68	2.80	-107.83
C=CCCC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007936481	0	40	-2.0	-135.54	335.52	5.82	-129.72
C=CCCC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007936483	1	34	-2.0	-94.15	312.50	3.79	-90.36
CC(C1CC2=CC=CC=C21)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007936582	0	44	-2.0	-145.14	361.61	8.65	-136.49
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CCCC2)C=C1C(=O)[O-]	REAL300007937280	0	35	-2.0	-133.82	320.62	5.70	-128.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CCCC2)=C1	REAL300007937282	1	29	-2.0	-95.56	291.16	3.01	-92.55
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CC1	REAL300007937366	0	40	-2.0	-136.82	341.18	6.80	-130.02
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CC1	REAL300007937369	1	34	-2.0	-95.54	315.10	3.96	-91.58
CCS(=O)(=O)C1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007937469	0	40	-2.0	-135.86	374.67	2.76	-133.10
CCS(=O)(=O)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007937473	1	34	-2.0	-100.38	343.17	0.66	-99.72
CC1(C)CC1(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007937541	0	37	-2.0	-135.23	321.53	5.65	-129.58
CC1(C)CC1(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007937543	1	31	-2.0	-94.95	297.71	3.16	-91.79
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3COCC3C2)C=C1C(=O)[O-]	REAL300007937717	0	39	-2.0	-135.08	334.73	5.14	-129.94
C=CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007937789	0	35	-2.0	-138.55	329.74	3.68	-134.87
C=CCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007937791	1	29	-2.0	-96.89	300.51	0.96	-95.93
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCC1	REAL300007937895	0	44	-2.0	-136.01	372.04	5.66	-130.35
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCC1	REAL300007937899	1	38	-2.0	-94.96	344.61	3.22	-91.74
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=C3C=COC3=CC=C2)C=C1C(=O)[O-]	REAL300007938015	0	37	-2.0	-136.90	348.76	6.37	-130.53
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C3C=COC3=CC=C2)=C1	REAL300007938019	1	31	-2.0	-99.85	319.31	3.66	-96.19
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938061	0	31	-2.0	-121.27	306.54	2.69	-118.58
O=C([O-])C1CCCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C1	REAL300007938062	1	39	-2.0	-102.63	348.18	4.75	-97.88
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)CC1	REAL300007938063	1	39	-2.0	-100.54	349.41	4.83	-95.71
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)O1	REAL300007938066	1	31	-2.0	-99.70	315.19	4.01	-95.69
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)O1	REAL300007938067	1	34	-2.0	-100.77	333.42	4.49	-96.28
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938068	0	33	-2.0	-98.63	316.62	4.28	-94.35
O=C([O-])C1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938069	0	36	-2.0	-120.66	330.19	4.80	-115.86
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C=C1	REAL300007938070	0	37	-2.0	-96.01	354.36	6.38	-89.63
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)CC1	REAL300007938071	1	39	-2.0	-100.54	349.41	4.83	-95.71
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938072	0	37	-2.0	-105.44	354.37	6.36	-99.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)O1	REAL300007938073	1	31	-2.0	-99.70	315.19	4.01	-95.69
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938075	0	33	-2.0	-98.63	316.62	4.28	-94.35
O=C([O-])C1=CSC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938076	1	31	-2.0	-99.84	323.59	4.67	-95.17
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938082	0	31	-2.0	-98.72	315.44	3.76	-94.96
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938086	1	30	-2.0	-121.39	308.73	3.89	-117.50
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)SC=N1	REAL300007938087	0	30	-2.0	-123.28	312.02	3.36	-119.92
O=C([O-])CCCCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938089	0	39	-2.0	-94.97	359.62	5.84	-89.13
CN(CCC(=O)[O-])S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938094	1	35	-2.0	-102.23	329.94	3.87	-98.36
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C=C1	REAL300007938097	0	37	-2.0	-96.01	354.36	6.38	-89.63
O=C([O-])CC1(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)CC1	REAL300007938101	0	37	-2.0	-104.29	341.16	5.53	-98.76
COC1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)SC(C(=O)[O-])=C1	REAL300007938103	1	35	-2.0	-100.41	352.94	4.10	-96.31
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938111	1	34	-2.0	-101.84	333.13	4.60	-97.24
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)OC=C1	REAL300007938113	0	31	-2.0	-120.64	307.65	4.50	-116.14
O=C([O-])C1(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)CCC1	REAL300007938114	0	34	-2.0	-117.12	315.64	4.88	-112.24
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938116	0	31	-2.0	-121.27	306.54	2.69	-118.58
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938118	1	33	-2.0	-102.81	326.63	3.77	-99.04
O=C([O-])C1=CC=CC=C1CS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938119	0	37	-2.0	-123.31	344.31	6.80	-116.51
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C1	REAL300007938120	0	31	-2.0	-94.43	330.07	4.29	-90.14
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=NN1	REAL300007938123	1	31	-2.0	-95.45	313.91	1.90	-93.55
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C1	REAL300007938125	1	34	-2.0	-103.04	320.69	4.79	-98.25
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C1	REAL300007938126	0	37	-2.0	-100.71	337.64	5.37	-95.34
O=C([O-])C1=NC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=C2C=CC=CN21	REAL300007938129	1	37	-2.0	-123.54	356.74	4.26	-119.28
O=C([O-])C1=CN2C=NC(S(=O)(=O)[N-]CC(F)(F)C3=CC=C(F)C=C3)=C2C=C1	REAL300007938130	1	37	-2.0	-96.70	357.01	6.89	-89.81
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938131	0	34	-2.0	-100.37	327.23	4.97	-95.40
O=C([O-])C1CCCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938132	0	39	-2.0	-126.93	340.05	5.80	-121.13
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)=NN1	REAL300007938133	1	31	-2.0	-95.45	313.91	1.90	-93.55
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938134	0	36	-2.0	-122.54	329.90	4.49	-118.05
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938135	0	31	-2.0	-121.27	306.54	2.69	-118.58
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2)C=C(Cl)S1	REAL300007938136	1	31	-2.0	-114.47	331.27	6.04	-108.43
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1	REAL300007938137	0	34	-2.0	-120.61	312.66	5.53	-115.08
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007938154	0	34	-2.0	-129.16	313.29	2.96	-126.20
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007938155	1	42	-2.0	-109.32	354.95	5.04	-104.28
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007938156	1	42	-2.0	-102.34	354.18	5.07	-97.27
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007938159	1	34	-2.0	-105.57	321.94	4.29	-101.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2C)O1	REAL300007938160	1	37	-2.0	-106.74	340.17	4.77	-101.97
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CCCC(=O)[O-]	REAL300007938161	1	36	-2.0	-104.84	323.37	4.54	-100.30
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007938162	0	39	-2.0	-131.16	336.69	4.77	-126.39
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007938163	0	40	-2.0	-101.81	361.14	6.66	-95.15
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007938164	1	42	-2.0	-102.34	354.18	5.07	-97.27
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007938165	0	40	-2.0	-111.65	361.14	6.64	-105.01
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007938166	1	34	-2.0	-105.57	321.94	4.29	-101.28
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CCCC(=O)[O-]	REAL300007938168	1	36	-2.0	-104.84	323.37	4.54	-100.30
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007938169	1	34	-2.0	-105.80	330.37	4.95	-100.85
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007938176	0	34	-2.0	-104.53	322.19	4.04	-100.49
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007938180	1	33	-2.0	-129.42	315.50	4.18	-125.24
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007938181	0	33	-2.0	-131.07	318.76	3.64	-127.43
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CCCCCC(=O)[O-]	REAL300007938183	0	42	-2.0	-100.85	366.37	6.10	-94.75
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N(C)CCC(=O)[O-]	REAL300007938188	1	38	-2.0	-108.92	336.69	4.15	-104.77
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007938192	0	40	-2.0	-101.81	361.14	6.66	-95.15
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007938196	0	40	-2.0	-112.78	347.68	5.83	-106.95
COC1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2C)SC(C(=O)[O-])=C1	REAL300007938198	1	38	-2.0	-106.60	359.69	4.37	-102.23
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2C)=C1	REAL300007938209	1	37	-2.0	-107.84	339.91	4.90	-102.94
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007938211	0	34	-2.0	-128.34	314.39	4.77	-123.57
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007938212	0	37	-2.0	-125.74	322.42	5.15	-120.59
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007938214	0	34	-2.0	-129.16	313.29	2.96	-126.20
CC1=CC=CC=C1C(F)(F)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007938216	0	40	-2.0	-136.37	365.94	7.27	-129.10
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007938218	1	36	-2.0	-109.24	333.41	4.04	-105.20
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007938219	0	40	-2.0	-131.43	351.10	7.08	-124.35
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007938220	0	34	-2.0	-100.18	336.84	4.58	-95.60
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007938224	1	34	-2.0	-101.45	320.67	2.17	-99.28
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007938226	1	37	-2.0	-109.45	327.38	5.07	-104.38
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007938227	0	40	-2.0	-108.81	344.51	5.60	-103.21
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007938230	1	40	-2.0	-129.78	363.55	4.55	-125.23
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007938231	1	40	-2.0	-102.88	363.76	7.15	-95.73
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007938232	0	37	-2.0	-106.48	334.00	5.26	-101.22
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007938233	0	42	-2.0	-135.94	346.85	6.11	-129.83
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007938234	1	34	-2.0	-101.45	320.67	2.17	-99.28
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007938235	0	39	-2.0	-128.20	336.94	5.07	-123.13
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007938236	0	34	-2.0	-129.16	313.29	2.96	-126.20
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007938237	1	34	-2.0	-122.63	338.05	6.33	-116.30
CC1=CC=CC=C1C(F)(F)C[N-]S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007938238	0	37	-2.0	-126.67	317.71	5.66	-121.01
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NSC3=CC=CC=C32)=C1	REAL300007938314	1	33	-2.0	-98.33	344.31	4.13	-94.20
COCCOCCOCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007938388	1	45	-2.0	-98.50	419.79	1.52	-96.98
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007938577	1	38	-2.0	-127.99	331.09	5.50	-122.49
CCN1C=C(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007938718	1	40	-2.0	-128.34	345.06	5.93	-122.41
CN1C=C(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007938773	1	38	-2.0	-124.08	333.52	3.90	-120.18
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007938776	1	38	-2.0	-134.92	324.67	5.43	-129.49
CC1=C(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(N)=NO1	REAL300007938825	1	36	-2.0	-117.35	302.95	2.41	-114.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=N1	REAL300007938860	0	37	-2.0	-142.46	323.40	3.98	-138.48
CC1=NC(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007938968	1	44	-2.0	-140.64	367.41	4.20	-136.44
CCN1N=CC(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=N1	REAL300007938981	1	37	-2.0	-126.64	315.91	1.89	-124.75
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(F)=C1	REAL300007938991	1	39	-2.0	-135.15	333.03	4.63	-130.52
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C3CCC3)C2)C=C1C(=O)[O-]	REAL300007940085	0	44	-2.0	-135.35	368.14	8.59	-126.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NOC=C3)CC2)C=C1C(=O)[O-]	REAL300007940203	0	40	-2.0	-136.38	355.15	6.79	-129.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CC[C@@H](OC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300007940367	0	42	-2.0	-136.88	375.28	7.60	-129.28
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2SCCS2)C=C1C(=O)[O-]	REAL300007940662	0	36	-2.0	-138.48	348.44	6.13	-132.35
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2SCCS2)=C1	REAL300007940666	1	30	-2.0	-97.72	319.00	3.44	-94.28
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2=CC=CO2)C=C1C(=O)[O-]	REAL300007940775	0	37	-2.0	-136.92	345.27	5.71	-131.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2=CC=CO2)=C1	REAL300007940779	1	31	-2.0	-95.67	315.82	3.03	-92.64
CC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007940889	0	46	-2.0	-135.91	379.12	7.51	-128.40
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007940893	1	40	-2.0	-95.66	350.09	4.81	-90.85
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1C(=O)[O-]	REAL300007942054	0	47	-2.0	-136.08	383.27	8.31	-127.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)=C1	REAL300007942058	1	41	-2.0	-96.18	353.91	5.97	-90.21
COC1=CC=C(F)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007942150	1	31	-2.0	-128.48	305.90	2.24	-126.24
COC1=CC=C(F)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007942194	0	38	-2.0	-137.25	356.70	5.35	-131.90
O=C([O-])C1=C(S(=O)(=O)[N-]CCC2CC2(F)F)SC=N1	REAL300007942289	1	27	-2.0	-124.42	278.11	1.90	-122.52
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC2(F)F)C=C1C(=O)[O-]	REAL300007942332	0	34	-2.0	-140.17	326.77	5.49	-134.68
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CC2(F)F)=C1	REAL300007942336	0	28	-2.0	-94.70	297.31	2.82	-91.88
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(Br)C=C1	REAL300007942358	0	33	-2.0	-98.75	331.51	4.84	-93.91
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(Br)C=C1	REAL300007942359	0	33	-2.0	-98.75	331.51	4.84	-93.91
O=C([O-])C1(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Br)C=C2)CCC1	REAL300007942360	0	34	-2.0	-117.33	330.53	5.44	-111.89
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Br)C=C2)C1	REAL300007942361	1	34	-2.0	-103.21	335.56	5.35	-97.86
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]CC(F)(F)C1=CC=C(Br)C=C1	REAL300007942362	0	34	-2.0	-100.51	342.12	5.53	-94.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(Br)C=C1	REAL300007942363	0	34	-2.0	-120.81	327.55	6.08	-114.73
CC1CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007942404	0	37	-2.0	-134.16	330.82	5.73	-128.43
CC1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007942406	1	31	-2.0	-94.94	301.39	3.06	-91.88
CC1(C)OCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007942508	0	41	-2.0	-137.82	352.45	4.28	-133.54
CC1(C)OCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007942512	1	35	-2.0	-93.70	323.45	1.59	-92.11
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4=CC(F)=CC=C4C32)C=C1C(=O)[O-]	REAL300007942619	0	39	-2.0	-139.03	358.93	8.14	-130.89
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CC4=CC(F)=CC=C4C32)=C1	REAL300007942623	1	33	-2.0	-94.40	331.13	5.58	-88.82
CCCCCC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007942735	0	49	-2.0	-135.11	392.36	9.51	-125.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC2CC2CCC2)C=C1C(=O)[O-]	REAL300007942851	0	47	-2.0	-139.05	372.98	9.13	-129.92
CC(C)C[C@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007942987	0	44	-2.0	-135.56	353.84	6.24	-129.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=CC=C(F)C=C3)CCC2)C=C1C(=O)[O-]	REAL300007943134	0	41	-2.0	-137.73	356.80	7.68	-130.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=CC=C(F)C=C3)CCC2)=C1	REAL300007943138	1	35	-2.0	-95.41	335.02	5.48	-89.93
CCCCCCC(CC)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007943239	0	54	-2.0	-135.86	439.32	10.83	-125.03
CC1=CC=CC2=C1CCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007943348	0	44	-2.0	-137.64	376.66	8.30	-129.34
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300007943458	0	50	-2.0	-134.38	398.37	9.59	-124.79
C=C(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007943585	0	34	-2.0	-135.15	313.48	6.13	-129.02
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300007943757	1	38	-2.0	-121.37	324.55	3.75	-117.62
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300007943899	1	40	-2.0	-116.84	334.08	3.93	-112.91
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300007943953	1	38	-2.0	-119.93	323.02	2.03	-117.90
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300007943956	1	38	-2.0	-129.29	318.14	3.68	-125.61
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(N)=NO1	REAL300007944006	1	36	-2.0	-109.50	295.45	0.68	-108.82
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300007944041	0	37	-2.0	-133.35	316.19	2.15	-131.20
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007944149	1	44	-2.0	-136.97	363.84	2.26	-134.71
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300007944162	1	37	-2.0	-119.42	308.66	0.14	-119.28
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(F)=C1	REAL300007944174	1	39	-2.0	-123.29	325.79	2.88	-120.41
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=CS2)CCOCC1	REAL300007944228	1	31	-2.0	-112.94	274.37	0.42	-112.52
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CC3)CC2)C=C1C(=O)[O-]	REAL300007944389	0	44	-2.0	-134.03	375.67	7.69	-126.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3(CC3)CC2)=C1	REAL300007944393	1	38	-2.0	-95.52	346.68	5.02	-90.50
CC1C2CCC(CC1O)N2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007944509	0	42	-2.0	-145.71	336.67	3.91	-141.80
CC1C2CCC(CC1O)N2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007944663	0	42	-2.0	-145.71	336.67	3.91	-141.80
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])O1	REAL300007944721	1	27	-2.0	-123.42	273.39	1.89	-121.53
CC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007944760	0	34	-2.0	-134.83	324.19	5.00	-129.83
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCC2)C2CCCO2)C=C1C(=O)[O-]	REAL300007944866	0	45	-2.0	-136.11	374.24	6.11	-130.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CCC2)C2CCCO2)=C1	REAL300007944870	1	39	-2.0	-93.52	344.84	4.08	-89.44
CC(CC1=CC=C(Cl)C=C1)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007945017	1	40	-2.0	-123.47	361.89	6.86	-116.61
CC1=C(S(=O)(=O)[N-]C(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C(N)=NO1	REAL300007945051	1	38	-2.0	-108.78	338.51	3.85	-104.93
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300007945106	1	39	-2.0	-118.59	352.78	3.34	-115.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300007945201	0	42	-2.0	-135.13	371.33	5.95	-129.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC3=C2CCOC3)=C1	REAL300007945205	1	36	-2.0	-99.61	341.91	3.25	-96.36
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCCS2)C=C1C(=O)[O-]	REAL300007945319	0	38	-2.0	-140.55	347.87	6.21	-134.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCCS2)=C1	REAL300007945323	1	32	-2.0	-98.95	318.41	3.51	-95.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CCCCO3)CCC2)C=C1C(=O)[O-]	REAL300007945426	0	48	-2.0	-134.10	391.13	7.14	-126.96
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3CCCCO3)CCC2)=C1	REAL300007945430	1	42	-2.0	-95.55	364.31	4.54	-91.01
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCOC1	REAL300007945605	1	38	-2.0	-123.25	335.29	3.20	-120.05
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C([N+](=O)[O-])=N1	REAL300007945747	1	40	-2.0	-128.74	352.10	4.02	-124.72
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(C(F)(F)F)=N1	REAL300007945801	1	38	-2.0	-124.28	340.42	1.98	-122.30
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCOC1	REAL300007945804	1	38	-2.0	-130.86	328.88	3.14	-127.72
CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(N)=NO1	REAL300007945854	1	36	-2.0	-115.88	309.32	0.52	-115.36
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300007945889	0	37	-2.0	-141.29	328.87	2.13	-139.16
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C(C2=CC=CC=C2)O1	REAL300007945997	1	44	-2.0	-137.04	372.97	1.91	-135.13
CCN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300007946010	1	37	-2.0	-123.93	322.49	0.00	-123.93
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300007946022	1	39	-2.0	-129.08	337.09	2.31	-126.77
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)=C1	REAL300007946126	1	33	-2.0	-96.54	329.60	5.25	-91.29
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007946251	1	30	-2.0	-114.01	296.61	4.56	-109.45
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=C1	REAL300007946321	1	33	-2.0	-105.99	333.11	5.55	-100.44
CCN1C=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)C([N+](=O)[O-])=N1	REAL300007946372	1	33	-2.0	-112.10	325.82	3.82	-108.28
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300007946418	1	36	-2.0	-112.40	341.07	3.73	-108.67
CN1C=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)C(C(F)(F)F)=N1	REAL300007946426	1	31	-2.0	-106.24	315.49	1.83	-104.41
CC1=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)C(N)=NO1	REAL300007946475	1	29	-2.0	-96.93	283.04	0.31	-96.62
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)=N1	REAL300007946511	0	30	-2.0	-115.70	302.60	1.92	-113.78
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300007946589	1	28	-2.0	-104.57	295.51	3.37	-101.20
CC1=NC(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)=C(C2=CC=CC=C2)O1	REAL300007946620	1	37	-2.0	-113.53	349.83	2.13	-111.40
CCN1N=CC(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)=N1	REAL300007946633	1	30	-2.0	-103.41	296.21	-0.21	-103.62
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=CO2)C(F)=C1	REAL300007946643	1	32	-2.0	-107.14	313.48	2.51	-104.63
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300007946657	1	27	-2.0	-100.48	302.84	0.92	-99.56
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300007946660	1	25	-2.0	-101.59	274.27	1.43	-100.16
O=C([O-])C1=COC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007946674	1	33	-2.0	-100.63	329.61	5.24	-95.39
CC1=CC=CC=C1[C@@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007946789	0	40	-2.0	-135.17	349.94	7.15	-128.02
CC(C)OCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007946874	0	37	-2.0	-138.10	337.11	3.86	-134.24
CC(C)OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007946877	1	31	-2.0	-96.83	307.89	1.14	-95.69
CC1=CC=CC=C1[C@H](C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007946978	0	43	-2.0	-139.92	364.49	8.57	-131.35
CC1=CC=CC=C1[C@@H](C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007947094	0	43	-2.0	-136.47	365.25	8.66	-127.81
CC(CCC(F)F)[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007947309	1	29	-2.0	-120.79	285.10	2.15	-118.64
CC(CCC(F)F)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007947352	0	36	-2.0	-137.68	333.56	5.47	-132.21
CC(CCC(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007947356	0	30	-2.0	-91.23	303.18	3.10	-88.13
CC(CC1CCC1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007947448	0	40	-2.0	-138.64	347.62	6.60	-132.04
CC(CC1CCC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007947451	1	34	-2.0	-95.14	317.12	4.12	-91.02
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCC23CC3)C=C1C(=O)[O-]	REAL300007947620	0	41	-2.0	-135.80	355.29	6.87	-128.93
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC23CC3)=C1	REAL300007947624	1	35	-2.0	-96.89	325.83	4.18	-92.71
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1	REAL300007947660	1	34	-2.0	-120.35	306.51	2.57	-117.78
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)O1	REAL300007947665	1	34	-2.0	-100.82	314.63	3.95	-96.87
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)O1	REAL300007947666	1	37	-2.0	-100.54	333.41	4.37	-96.17
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)O1	REAL300007947672	1	34	-2.0	-100.82	314.63	3.95	-96.87
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)=C1	REAL300007947682	1	34	-2.0	-98.24	314.88	3.68	-94.56
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1	REAL300007947686	1	33	-2.0	-121.30	307.83	3.82	-117.48
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)SC=N1	REAL300007947687	1	33	-2.0	-124.63	311.45	3.28	-121.35
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)=C1	REAL300007947719	1	37	-2.0	-103.30	333.15	4.49	-98.81
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)OC=C1	REAL300007947721	1	34	-2.0	-119.72	307.62	4.38	-115.34
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1	REAL300007947724	1	34	-2.0	-120.35	306.51	2.57	-117.78
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C(F)(F)F)CCCC2)C=C1C(=O)[O-]	REAL300007947726	0	40	-2.0	-132.82	356.24	6.75	-126.07
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)=C1	REAL300007947730	0	34	-2.0	-94.26	329.54	4.22	-90.04
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1	REAL300007947746	1	34	-2.0	-120.35	306.51	2.57	-117.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC=C(Cl)C=C32)C=C1C(=O)[O-]	REAL300007947831	0	38	-2.0	-143.67	361.09	7.62	-136.05
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC=C(Cl)C=C32)=C1	REAL300007947835	1	32	-2.0	-98.01	326.13	5.17	-92.84
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CC3)CC2)C=C1C(=O)[O-]	REAL300007947939	0	41	-2.0	-143.50	334.40	7.51	-135.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCCC3=CC=C(Cl)C=C32)=C1	REAL300007948114	1	35	-2.0	-101.14	348.11	5.76	-95.38
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC(F)=CC=C3C2)C=C1C(=O)[O-]	REAL300007948210	0	39	-2.0	-137.92	354.10	7.13	-130.79
CC=CCC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007948324	0	44	-2.0	-135.56	374.65	8.66	-126.90
CC1=NOC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCOCC2)=C1	REAL300007948507	1	38	-2.0	-109.01	325.80	3.68	-105.33
CC1=NOC(C2([N-]S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CCOCC2)=C1	REAL300007948512	1	41	-2.0	-93.94	352.10	2.30	-91.64
CC1=NOC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCOCC2)=C1	REAL300007948514	1	38	-2.0	-114.83	324.75	1.11	-113.72
CC1=NOC(C2([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCOCC2)=C1	REAL300007948518	1	38	-2.0	-96.17	333.21	2.49	-93.68
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CCOCC2)=C1	REAL300007948519	1	41	-2.0	-97.08	351.09	3.01	-94.07
CC1=NOC(C2([N-]S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCOCC2)=C1	REAL300007948525	1	38	-2.0	-96.17	333.21	2.49	-93.68
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCOCC2)=C1	REAL300007948528	1	38	-2.0	-94.99	340.73	3.20	-91.79
CC1=NOC(C2([N-]S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCOCC2)=C1	REAL300007948531	1	38	-2.0	-96.47	340.10	3.16	-93.31
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCOCC2)=C1	REAL300007948534	1	38	-2.0	-94.66	332.55	2.29	-92.37
CC1=NOC(C2([N-]S(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CCOCC2)=C1	REAL300007948536	1	41	-2.0	-95.92	350.53	3.32	-92.60
CC1=NOC(C2([N-]S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCOCC2)=C1	REAL300007948537	1	40	-2.0	-92.39	343.62	2.32	-90.07
CC1=NOC(C2([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])CCOCC2)=C1	REAL300007948538	0	37	-2.0	-109.62	324.29	2.14	-107.48
CC1=NOC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCOCC2)=C1	REAL300007948539	1	37	-2.0	-121.39	329.92	1.88	-119.51
CC1=NOC(C2([N-]S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCOCC2)=C1	REAL300007948540	1	40	-2.0	-118.65	334.18	2.96	-115.69
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)[N-]C1(C2=CC(C)=NO2)CCOCC1	REAL300007948546	1	41	-2.0	-113.24	345.88	4.46	-108.78
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)CCOCC2)=C1	REAL300007948559	1	41	-2.0	-97.45	350.82	3.13	-94.32
CC1=NOC(C2([N-]S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCOCC2)=C1	REAL300007948560	1	38	-2.0	-114.16	324.12	2.93	-111.23
CC1=NOC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCOCC2)=C1	REAL300007948563	1	38	-2.0	-114.83	324.75	1.11	-113.72
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CCOCC2)=C1	REAL300007948565	1	40	-2.0	-98.27	344.45	2.29	-95.98
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCOCC2)=C1	REAL300007948567	0	38	-2.0	-90.62	348.12	2.77	-87.85
CC1=NOC(C2([N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCOCC2)=C1	REAL300007948570	1	38	-2.0	-91.50	331.93	0.39	-91.11
CC1=NOC(C2([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CCOCC2)=C1	REAL300007948574	1	41	-2.0	-96.66	358.82	3.90	-92.76
CC1=NOC(C2([N-]S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCOCC2)=C1	REAL300007948578	1	38	-2.0	-91.50	331.93	0.39	-91.11
CC1=NOC(C2([N-]S(=O)(=O)C3=NNC=C3C(=O)[O-])CCOCC2)=C1	REAL300007948580	1	38	-2.0	-114.83	324.75	1.11	-113.72
CC1=NOC(C2([N-]S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCOCC2)=C1	REAL300007948584	1	40	-2.0	-105.37	327.05	2.91	-102.46
COCC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007948671	0	42	-2.0	-138.41	360.67	4.47	-133.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=C(F)C=CC=C3F)CCC2)=C1	REAL300007949467	1	35	-2.0	-101.72	332.63	5.31	-96.41
C[C@]12CCCC[C@H]1CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007949558	0	41	-2.0	-139.83	345.47	7.34	-132.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CSC(C(F)(F)F)=C2)=C1	REAL300007949653	1	28	-2.0	-90.65	322.68	3.48	-87.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2CC(F)(F)F)=C1	REAL300007949761	1	34	-2.0	-96.05	343.76	4.93	-91.12
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300007949859	0	41	-2.0	-135.60	360.39	9.02	-126.58
CO[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007949958	0	38	-2.0	-135.52	343.22	4.05	-131.47
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007949962	1	32	-2.0	-95.60	313.86	1.37	-94.23
CCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007951003	1	36	-2.0	-130.05	319.21	5.33	-124.72
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007951054	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=CC2=CC=CC=C2O1	REAL300007951055	1	34	-2.0	-129.57	299.38	4.61	-124.96
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007951133	0	33	-2.0	-133.88	297.26	3.37	-130.51
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007951240	1	40	-2.0	-135.96	343.02	3.42	-132.54
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007951259	1	35	-2.0	-127.41	308.31	3.70	-123.71
CC1CC(F)(F)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007951401	0	37	-2.0	-134.61	320.29	6.67	-127.94
COC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007951515	0	39	-2.0	-136.62	354.36	6.54	-130.08
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCO1	REAL300007951631	0	47	-2.0	-137.55	385.05	6.08	-131.47
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCO1	REAL300007951635	1	41	-2.0	-98.08	358.21	3.44	-94.64
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)=C1	REAL300007951800	1	36	-2.0	-107.29	357.32	-0.53	-107.82
CC1=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C(N)=NO1	REAL300007952081	1	37	-2.0	-112.50	336.79	3.61	-108.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300007952094	0	38	-2.0	-133.49	356.53	5.21	-128.28
CCN1N=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300007952138	1	38	-2.0	-121.64	350.14	3.09	-118.55
CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300007952142	1	33	-2.0	-118.48	328.20	4.74	-113.74
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=C(C(F)(F)F)SC=C1	REAL300007952165	1	28	-2.0	-122.12	293.04	1.99	-120.13
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)O1	REAL300007952170	1	28	-2.0	-103.27	301.68	3.31	-99.96
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)O1	REAL300007952171	1	31	-2.0	-101.94	319.92	3.78	-98.16
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)O1	REAL300007952177	1	28	-2.0	-103.27	301.68	3.31	-99.96
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)=C1	REAL300007952186	1	28	-2.0	-100.00	301.94	3.06	-96.94
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1=C(C(F)(F)F)SC=C1	REAL300007952190	1	27	-2.0	-122.02	287.44	2.90	-119.12
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)SC=N1	REAL300007952191	1	27	-2.0	-125.15	297.41	2.67	-122.48
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)=C1	REAL300007952213	1	31	-2.0	-105.45	319.66	3.91	-101.54
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)OC=C1	REAL300007952215	1	28	-2.0	-121.27	294.15	3.80	-117.47
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=C(C(F)(F)F)SC=C1	REAL300007952218	1	28	-2.0	-122.12	293.04	1.99	-120.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C(C(F)(F)F)SC=C2)=C1	REAL300007952222	0	28	-2.0	-95.95	316.59	3.60	-92.35
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=C(C(F)(F)F)SC=C1	REAL300007952235	1	28	-2.0	-122.12	293.04	1.99	-120.13
C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952423	1	37	-2.0	-98.25	342.87	1.81	-96.44
CCN1C=C(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007952564	1	39	-2.0	-106.56	357.49	2.16	-104.40
C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952617	1	37	-2.0	-101.02	345.49	0.16	-100.86
C[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952620	1	37	-2.0	-104.08	336.62	1.72	-102.36
CC1=C(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(N)=NO1	REAL300007952670	1	35	-2.0	-92.77	313.60	-1.30	-94.07
C[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952704	0	36	-2.0	-112.85	335.05	0.20	-112.65
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007952812	1	43	-2.0	-109.34	381.27	0.49	-108.85
CCN1N=CC(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300007952825	1	36	-2.0	-99.47	327.39	-1.80	-101.27
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007952836	1	38	-2.0	-103.80	344.83	0.89	-102.91
C[C@H]([N-]S(=O)(=O)C1=CN=CS1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300007952889	1	30	-2.0	-96.43	293.27	-1.55	-97.98
CC(C)(C)OC1CCC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007952966	0	50	-2.0	-141.72	408.94	6.62	-135.10
CC(C)(C)OC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007952970	1	44	-2.0	-95.44	378.85	4.21	-91.23
CCN1C=C(S(=O)(=O)[N-]CC2=CC(C)=C(C(=O)[O-])O2)C([N+](=O)[O-])=N1	REAL300007954075	1	36	-2.0	-110.72	343.54	4.67	-106.05
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300007954121	1	39	-2.0	-112.55	358.78	4.58	-107.97
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)=C1	REAL300007954182	0	32	-2.0	-98.87	300.75	1.15	-97.72
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300007954217	0	33	-2.0	-119.53	320.30	2.77	-116.76
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)=C1	REAL300007954325	1	40	-2.0	-114.52	367.54	2.98	-111.54
CCN1N=CC(S(=O)(=O)[N-]CC2=CC(C)=C(C(=O)[O-])O2)=N1	REAL300007954338	1	33	-2.0	-106.50	314.07	0.62	-105.88
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC(C)=C(C(=O)[O-])O2)C(F)=C1	REAL300007954348	1	35	-2.0	-110.79	331.19	3.36	-107.43
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300007954360	1	30	-2.0	-106.48	320.55	1.77	-104.71
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300007954362	1	28	-2.0	-104.21	291.99	2.29	-101.92
COC1=CC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=N1	REAL300007954556	0	40	-2.0	-139.90	370.12	3.54	-136.36
COC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=CC=N1	REAL300007954560	1	34	-2.0	-94.79	340.66	0.84	-93.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC23CC3)C=C1C(=O)[O-]	REAL300007954722	0	38	-2.0	-134.86	335.95	6.48	-128.38
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC23CC3)=C1	REAL300007954725	1	32	-2.0	-97.01	304.06	3.95	-93.06
CCOCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007954830	0	42	-2.0	-134.87	368.30	4.58	-130.29
CC1=CC=CC(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)C)=C1	REAL300007955016	0	46	-2.0	-135.03	399.84	8.72	-126.31
C=CCCC(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007955137	0	43	-2.0	-134.46	367.65	6.97	-127.49
C=CCCC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007955141	1	37	-2.0	-94.34	340.82	4.35	-89.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007955881	0	38	-2.0	-138.19	343.87	7.08	-131.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3=CC=CC=C32)=C1	REAL300007955885	1	32	-2.0	-98.53	309.38	4.66	-93.87
CSC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007956121	0	38	-2.0	-139.68	342.50	7.03	-132.65
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007956224	0	42	-2.0	-134.15	352.57	5.97	-128.18
CCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007956228	1	36	-2.0	-95.18	323.11	3.27	-91.91
CC1=NC=C(C(C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007956290	1	29	-2.0	-115.50	293.34	1.71	-113.79
CC1=NC=C(C(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007956336	0	36	-2.0	-137.34	345.92	4.64	-132.70
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007956526	0	49	-2.0	-136.22	393.95	9.09	-127.13
CC1=C(C)C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=CS1	REAL300007956632	1	30	-2.0	-119.50	296.82	3.16	-116.34
CC1=C(C)C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=CS1	REAL300007956678	0	37	-2.0	-133.71	350.47	6.33	-127.38
CC12CC1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007956820	0	35	-2.0	-133.79	325.24	6.01	-127.78
CC12CC1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300007956822	1	29	-2.0	-95.65	295.81	3.34	-92.31
O=C([O-])C1=CC=C(S(=O)(=O)N[C@H]2CCC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300007956953	0	38	-2.0	-134.79	361.21	7.61	-127.18
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CCC3=CC(Cl)=CC=C32)=C1	REAL300007956957	1	32	-2.0	-94.58	326.12	5.17	-89.41
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CC4=C(Cl)C=CC=C4C32)=C1	REAL300007957051	1	33	-2.0	-94.40	341.00	6.01	-88.39
COC1=CC=C(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007957458	0	41	-2.0	-136.87	367.50	7.28	-129.59
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)C=C1C(=O)[O-]	REAL300007957568	0	38	-2.0	-133.80	359.42	7.68	-126.12
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC3=CC(Cl)=CC=C32)=C1	REAL300007957572	1	32	-2.0	-94.39	326.11	5.18	-89.21
O=C([O-])C(CC1CCCOC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007957732	1	41	-2.0	-130.08	354.40	4.70	-125.38
CCN1C=C(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007957866	1	43	-2.0	-135.18	368.53	5.11	-130.07
CN1C=C(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007957915	1	41	-2.0	-131.79	355.87	2.97	-128.82
O=C([O-])C(CC1CCCOC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007957918	1	41	-2.0	-137.30	347.98	4.63	-132.67
CC1=C(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])C(N)=NO1	REAL300007957973	1	39	-2.0	-118.55	324.37	2.11	-116.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])=N1	REAL300007958005	0	40	-2.0	-143.79	343.07	3.82	-139.97
CC1=NC(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007958108	1	47	-2.0	-142.66	387.89	3.65	-139.01
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])=N1	REAL300007958120	1	40	-2.0	-127.25	342.90	0.95	-126.30
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCCOC2)C(=O)[O-])C(F)=C1	REAL300007958131	1	42	-2.0	-136.03	353.98	4.37	-131.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CCCC3=CC=C(Cl)C=C32)=C1	REAL300007958269	1	35	-2.0	-100.10	348.12	5.76	-94.34
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C([N+](=O)[O-])=N1	REAL300007960118	1	38	-2.0	-135.54	337.19	4.76	-130.78
CN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)=N1	REAL300007960169	1	36	-2.0	-130.56	319.84	3.22	-127.34
CC(C)(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007960170	1	36	-2.0	-135.26	316.74	4.28	-130.98
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300007960249	0	35	-2.0	-144.94	315.34	2.80	-142.14
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)=C(C2=CC=CC=C2)O1	REAL300007960354	1	42	-2.0	-142.85	357.55	2.95	-139.90
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007960373	1	37	-2.0	-138.44	319.87	4.00	-134.44
C=C(Cl)CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007960579	1	31	-2.0	-122.66	320.02	4.27	-118.39
C=C(Cl)CC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007960722	1	33	-2.0	-131.35	334.06	4.69	-126.66
C=C(Cl)CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007960776	1	31	-2.0	-126.64	318.74	3.27	-123.37
C=C(Cl)CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007960779	1	31	-2.0	-132.72	308.51	4.79	-127.93
C=C(Cl)CC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007960828	1	29	-2.0	-114.40	285.20	1.77	-112.63
C=C(Cl)CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007960864	0	30	-2.0	-143.31	304.64	3.17	-140.14
C=C(Cl)CC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007960973	1	37	-2.0	-140.47	354.26	3.43	-137.04
C=C(Cl)CC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300007960986	1	30	-2.0	-123.43	297.01	1.38	-122.05
C=C(Cl)CC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007960997	0	32	-2.0	-133.10	316.74	3.97	-129.13
C=C(C)CC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007962018	1	36	-2.0	-138.37	332.00	5.24	-133.13
C=C(C)CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007962069	1	34	-2.0	-129.57	328.26	2.85	-126.72
C=C(C)CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007962070	1	34	-2.0	-132.82	310.53	5.09	-127.73
C=C(C)CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007962148	0	33	-2.0	-143.28	316.81	2.88	-140.40
C=C(C)CC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007962255	1	40	-2.0	-148.08	359.43	3.52	-144.56
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007962274	1	35	-2.0	-133.06	326.42	3.54	-129.52
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2=CSC=C2)C=C1C(=O)[O-]	REAL300007962503	0	35	-2.0	-134.79	341.09	6.39	-128.40
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CSC=C2)=C1	REAL300007962507	1	29	-2.0	-94.58	310.86	3.77	-90.81
CC(C1CC1)N(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007962613	0	44	-2.0	-139.80	386.48	10.03	-129.77
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4COC2C4C3)C=C1C(=O)[O-]	REAL300007962775	0	40	-2.0	-143.93	340.47	4.56	-139.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3CC4COC2C4C3)=C1	REAL300007962779	1	34	-2.0	-101.12	302.76	4.00	-97.12
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300007962957	0	41	-2.0	-135.42	356.31	6.93	-128.49
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CC=CCC2)=C1	REAL300007962961	1	35	-2.0	-94.82	326.87	4.24	-90.58
O=C([O-])C1=CC=C(S(=O)(=O)NCC23CC(C2)CO3)C=C1C(=O)[O-]	REAL300007963054	0	36	-2.0	-135.28	326.58	3.74	-131.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC23CC(C2)CO3)=C1	REAL300007963057	1	30	-2.0	-100.22	297.14	1.06	-99.16
CC1(C)CCC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007963158	0	46	-2.0	-134.43	358.55	6.96	-127.47
CC1(C)CCC(C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007963162	1	40	-2.0	-95.79	335.85	4.98	-90.81
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCSC2)C=C1C(=O)[O-]	REAL300007963275	0	38	-2.0	-136.25	346.28	6.03	-130.22
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCSC2)=C1	REAL300007963279	1	32	-2.0	-93.66	318.47	3.43	-90.23
CC1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007963732	1	32	-2.0	-116.20	317.62	4.24	-111.96
CC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007963772	0	39	-2.0	-139.40	368.40	7.33	-132.07
O=C([O-])C1=CC=C(S(=O)(=O)NCCCCC2CC2)C=C1C(=O)[O-]	REAL300007963869	0	40	-2.0	-134.65	357.73	6.92	-127.73
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC2CC2)=C1	REAL300007963872	1	34	-2.0	-93.63	328.27	4.24	-89.39
CC(C)(C)C1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])O1	REAL300007963932	1	36	-2.0	-124.90	334.29	3.85	-121.05
CC(C)(C)C1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300007963976	0	43	-2.0	-134.74	385.09	6.94	-127.80
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(OC(F)F)C=C2F)=C1	REAL300007964069	1	32	-2.0	-100.41	336.90	2.94	-97.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCSCCC(F)(F)F)=C1	REAL300007964159	1	31	-2.0	-91.94	337.99	3.63	-88.31
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(F)F	REAL300007964200	1	33	-2.0	-127.52	293.76	1.37	-126.15
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C(C)(F)F	REAL300007964224	1	33	-2.0	-100.74	301.37	2.52	-98.22
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C(C)(F)F	REAL300007964229	1	32	-2.0	-126.58	297.95	2.12	-124.46
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C(C)(F)F	REAL300007964269	1	33	-2.0	-128.13	297.73	2.84	-125.29
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(F)F	REAL300007964271	1	33	-2.0	-127.52	293.76	1.37	-126.15
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)(F)F	REAL300007964273	0	39	-2.0	-137.12	342.87	5.70	-131.42
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(C)(F)F	REAL300007964277	0	33	-2.0	-96.37	316.03	3.06	-93.31
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(C)(F)F	REAL300007964296	1	33	-2.0	-127.52	293.76	1.37	-126.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300007964556	0	37	-2.0	-134.07	338.48	6.88	-127.19
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC=CC[C@@H]3C2)C=C1C(=O)[O-]	REAL300007964827	0	39	-2.0	-134.37	336.97	7.56	-126.81
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CSCC3C2)C=C1C(=O)[O-]	REAL300007965323	0	39	-2.0	-134.35	344.80	7.40	-126.95
C[C@@H](C1=CC=C(Cl)C=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007965433	0	40	-2.0	-134.38	367.22	8.60	-125.78
COC1=CC=CC=C1[C@H](C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007965540	0	44	-2.0	-136.70	371.01	7.65	-129.05
O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300007965725	1	35	-2.0	-103.36	321.36	4.84	-98.52
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007965864	1	37	-2.0	-111.23	335.49	5.28	-105.95
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007965918	1	35	-2.0	-105.90	323.88	3.23	-102.67
O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300007965920	1	35	-2.0	-109.01	314.78	4.76	-104.25
CC1=C(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(N)=NO1	REAL300007965967	1	33	-2.0	-97.60	290.59	1.77	-95.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300007966003	0	34	-2.0	-117.34	311.76	3.34	-114.00
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007966112	1	41	-2.0	-113.47	358.07	3.57	-109.90
CCN1N=CC(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300007966125	1	34	-2.0	-104.59	305.73	1.23	-103.36
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(F)=C1	REAL300007966135	1	36	-2.0	-109.35	323.17	3.96	-105.39
O=C([O-])[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007966392	1	35	-2.0	-122.33	319.67	2.93	-119.40
CCN1C=C(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007966533	1	37	-2.0	-130.10	333.78	3.35	-126.75
CN1C=C(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007966586	1	35	-2.0	-124.49	323.45	1.37	-123.12
O=C([O-])[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007966589	1	35	-2.0	-128.27	315.04	2.88	-125.39
CC1=C(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])C(N)=NO1	REAL300007966638	1	33	-2.0	-115.23	291.00	-0.16	-115.39
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300007966674	0	34	-2.0	-140.03	310.55	1.48	-138.55
CC1=NC(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007966785	1	41	-2.0	-133.29	358.63	1.74	-131.55
CCN1N=CC(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300007966798	1	34	-2.0	-124.02	304.31	-0.67	-124.69
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])C(F)=C1	REAL300007966809	1	36	-2.0	-131.59	323.23	2.07	-129.52
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC23CCOCC3)C=C1C(=O)[O-]	REAL300007967027	0	45	-2.0	-137.15	378.11	5.46	-131.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC23CCOCC3)=C1	REAL300007967031	1	39	-2.0	-97.80	348.53	2.77	-95.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3(CO2)CCOCC3)C=C1C(=O)[O-]	REAL300007967133	0	46	-2.0	-135.23	387.31	3.79	-131.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3(CO2)CCOCC3)=C1	REAL300007967137	1	40	-2.0	-99.61	357.85	1.10	-98.51
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007967245	1	35	-2.0	-125.36	315.53	2.71	-122.65
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007967250	1	35	-2.0	-101.64	324.20	4.04	-97.60
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007967251	1	38	-2.0	-102.17	342.43	4.50	-97.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007967257	1	35	-2.0	-101.64	324.20	4.04	-97.60
O=C([O-])C1=COC(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007967266	1	35	-2.0	-100.01	324.47	3.79	-96.22
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007967270	1	34	-2.0	-124.12	317.78	3.92	-120.20
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)SC=N1	REAL300007967271	1	34	-2.0	-129.04	321.87	3.46	-125.58
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007967294	1	38	-2.0	-103.99	342.17	4.63	-99.36
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)OC=C1	REAL300007967296	1	35	-2.0	-126.35	320.80	4.10	-122.25
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007967299	1	35	-2.0	-125.36	315.53	2.71	-122.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007967303	0	35	-2.0	-95.70	339.12	4.31	-91.39
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007967316	1	35	-2.0	-125.36	315.53	2.71	-122.65
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC2C2CC23)C=C1C(=O)[O-]	REAL300007967440	0	42	-2.0	-137.56	350.72	7.12	-130.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CC2C2CC23)=C1	REAL300007967444	1	36	-2.0	-96.82	322.26	4.45	-92.37
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]2C2CCOCC2)C=C1C(=O)[O-]	REAL300007967555	0	45	-2.0	-136.99	387.66	6.08	-130.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCOCC2)=C1	REAL300007967559	1	39	-2.0	-95.60	358.40	3.40	-92.20
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCC2)C2CCOC2)C=C1C(=O)[O-]	REAL300007967676	0	45	-2.0	-138.81	370.58	5.56	-133.25
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CCC2)C2CCOC2)=C1	REAL300007967680	1	39	-2.0	-95.28	339.38	3.82	-91.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(OC3CCC3)CC2)C=C1C(=O)[O-]	REAL300007967784	0	48	-2.0	-150.78	390.20	7.98	-142.80
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NN=NN1C1CC1	REAL300007967981	1	32	-2.0	-120.28	307.51	1.25	-119.03
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=NN=NN1C1CC1	REAL300007968025	0	39	-2.0	-130.34	359.41	4.09	-126.25
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=NN=NN1C1CC1	REAL300007968029	1	33	-2.0	-97.34	329.31	1.66	-95.68
COC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007968136	0	40	-2.0	-134.45	346.40	3.86	-130.59
COC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007968140	1	34	-2.0	-97.65	316.95	1.17	-96.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCOC2)C=C1C(=O)[O-]	REAL300007968203	0	35	-2.0	-136.40	317.39	3.09	-133.31
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCOC2)=C1	REAL300007968205	1	29	-2.0	-94.04	288.17	0.47	-93.57
CC(CC(=O)[O-])([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007968361	1	37	-2.0	-111.19	321.34	5.21	-105.98
CCN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007968483	1	39	-2.0	-118.93	332.63	5.17	-113.76
CN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007968528	1	37	-2.0	-113.32	322.86	3.11	-110.21
CC(CC(=O)[O-])([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300007968531	1	37	-2.0	-117.53	314.92	5.14	-112.39
CC1=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)C(N)=NO1	REAL300007968576	1	35	-2.0	-104.14	291.83	2.09	-102.05
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)=N1	REAL300007968607	0	36	-2.0	-130.31	313.81	3.65	-126.66
CC1=NC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007968709	1	43	-2.0	-126.33	361.27	3.76	-122.57
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2CC2)=N1	REAL300007968721	1	36	-2.0	-112.32	306.02	1.61	-110.71
COC1=CC=CC2=C1OCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300007968843	1	37	-2.0	-100.10	348.10	3.35	-96.75
COC1=CC=CC=C1[C@@H](C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007968936	1	34	-2.0	-126.88	313.46	3.27	-123.61
COC1=CC=CC=C1[C@@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007968980	0	41	-2.0	-136.96	362.96	6.06	-130.90
COC1=CC=CC=C1[C@H](C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007969054	1	34	-2.0	-128.75	313.27	3.32	-125.43
COC1=CC=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007969098	0	41	-2.0	-139.36	364.71	6.12	-133.24
CCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1OC	REAL300007969176	1	37	-2.0	-124.51	336.68	3.97	-120.54
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1OC	REAL300007969217	0	44	-2.0	-139.69	389.05	7.04	-132.65
COCC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007969320	0	38	-2.0	-136.66	343.50	4.11	-132.55
COCC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007969324	1	32	-2.0	-97.48	312.12	1.53	-95.95
COC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300007969429	0	39	-2.0	-136.62	354.36	6.54	-130.08
CC1=CC=CC2=C1CCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007969544	0	38	-2.0	-139.43	340.38	8.57	-130.86
CC1=CC=CC2=C1OCCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007969606	1	35	-2.0	-127.10	317.32	3.78	-123.32
CC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007969648	0	42	-2.0	-135.44	368.55	6.61	-128.83
CC1=CC=CC(CC(C)N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007969843	0	46	-2.0	-136.17	390.90	10.22	-125.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2C2CC23)C=C1C(=O)[O-]	REAL300007969954	0	39	-2.0	-138.10	322.32	6.84	-131.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CC2C2CC23)=C1	REAL300007969958	1	33	-2.0	-97.22	298.97	4.04	-93.18
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CC=C(Cl)S1)C(F)(F)F	REAL300007970032	1	28	-2.0	-92.96	318.39	3.72	-89.24
CN1C=CC(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)=N1	REAL300007970109	1	31	-2.0	-107.15	314.27	1.62	-105.53
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(F)(F)F	REAL300007970115	1	33	-2.0	-111.25	327.97	5.69	-105.56
CC1=NOC(C)=C1S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F	REAL300007970136	1	33	-2.0	-91.11	322.60	3.06	-88.05
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CN=C2NC=CC=C12)C(F)(F)F	REAL300007970179	1	34	-2.0	-116.36	337.61	3.29	-113.07
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(F)(F)F	REAL300007970207	0	34	-2.0	-102.47	339.18	4.49	-97.98
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CC=CO1)C(F)(F)F	REAL300007970210	1	28	-2.0	-98.59	292.10	2.08	-96.51
CC1=CC=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)O1	REAL300007970222	1	31	-2.0	-100.93	314.02	2.90	-98.03
COC1=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)SC=C1	REAL300007970226	1	32	-2.0	-106.68	330.70	2.81	-103.87
CC1=NC=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)S1	REAL300007970245	1	30	-2.0	-97.73	317.95	1.92	-95.81
CCC1=NC=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)S1	REAL300007970246	1	33	-2.0	-97.52	339.43	2.67	-94.85
CC1=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)C(N)=NO1	REAL300007970247	0	32	-2.0	-90.95	315.85	1.50	-89.45
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CN=C(C2CC2)S1)C(F)(F)F	REAL300007970263	1	34	-2.0	-98.51	349.17	3.60	-94.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)=N1	REAL300007970265	0	33	-2.0	-111.92	337.77	3.01	-108.91
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F	REAL300007970280	1	36	-2.0	-113.61	351.17	3.69	-109.92
CCC1=CC=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)O1	REAL300007970307	1	34	-2.0	-101.06	335.50	3.68	-97.38
CCN1N=CC(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)=N1	REAL300007970329	0	33	-2.0	-99.13	330.27	0.95	-98.18
CC1=COC(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)=C1	REAL300007970333	1	31	-2.0	-100.03	314.01	2.75	-97.28
CC1=CC=C(S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F)O1	REAL300007970334	1	31	-2.0	-100.93	314.02	2.90	-98.03
O=C([O-])CSC(C[N-]S(=O)(=O)C1=C(Cl)OC=C1)C(F)(F)F	REAL300007970339	1	28	-2.0	-97.11	308.20	2.61	-94.50
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CC(Cl)=CS1)C(F)(F)F	REAL300007970340	1	28	-2.0	-94.63	318.23	3.61	-91.02
CCOC1=CC=CN=C1S(=O)(=O)[N-]CC(SCC(=O)[O-])C(F)(F)F	REAL300007970362	1	37	-2.0	-113.12	355.29	3.23	-109.89
O=C([O-])CSC(C[N-]S(=O)(=O)C1=CN=CS1)C(F)(F)F	REAL300007970366	1	27	-2.0	-95.05	296.00	1.21	-93.84
CC1=NOC(C)=C1S(=O)(=O)[N-]C(CC(=O)[O-])C1=CC(C)=CC=C1	REAL300007970588	1	39	-2.0	-121.04	345.91	5.38	-115.66
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC(C)=C2)C([N+](=O)[O-])=N1	REAL300007970649	1	42	-2.0	-137.36	378.33	7.36	-130.00
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC(C)=CC=C2)C(N)=NO1	REAL300007970737	0	38	-2.0	-118.87	340.61	3.77	-115.10
CC1=CC=CC(C(CC(=O)[O-])[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=C1	REAL300007970765	1	39	-2.0	-145.16	359.94	5.40	-139.76
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC(C)=C2)=N1	REAL300007970857	1	39	-2.0	-129.59	353.75	3.28	-126.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC=CC(F)=C3C2)C=C1C(=O)[O-]	REAL300007970966	0	39	-2.0	-140.73	353.21	7.35	-133.38
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007971006	1	32	-2.0	-120.54	293.88	2.61	-117.93
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007971011	1	32	-2.0	-99.51	302.65	3.96	-95.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007971012	1	35	-2.0	-102.28	322.46	4.51	-97.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)O1	REAL300007971018	1	32	-2.0	-99.51	302.65	3.96	-95.55
O=C([O-])C1=COC(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007971028	1	32	-2.0	-100.05	302.90	3.71	-96.34
O=C([O-])C1=NSC=C1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007971032	1	31	-2.0	-117.86	296.16	3.81	-114.05
O=C([O-])C1=C(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)SC=N1	REAL300007971033	1	31	-2.0	-121.43	299.48	3.26	-118.17
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007971066	1	35	-2.0	-101.69	320.68	4.57	-97.12
O=C([O-])C1=C(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)OC=C1	REAL300007971068	1	32	-2.0	-123.71	299.15	4.01	-119.70
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007971071	1	32	-2.0	-120.54	293.88	2.61	-117.93
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300007971073	0	38	-2.0	-134.28	346.67	6.66	-127.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)=C1	REAL300007971077	0	32	-2.0	-95.62	317.55	4.25	-91.37
O=C([O-])C1=CNN=C1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300007971096	1	32	-2.0	-120.54	293.88	2.61	-117.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C3CCC3)CC2)C=C1C(=O)[O-]	REAL300007971188	0	47	-2.0	-135.02	382.25	9.11	-125.91
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCS1	REAL300007971299	0	35	-2.0	-133.13	321.89	6.45	-126.68
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C2C2CCC3C2)C=C1C(=O)[O-]	REAL300007971893	0	39	-2.0	-137.75	323.82	7.55	-130.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3C2C2CCC3C2)=C1	REAL300007971897	1	33	-2.0	-98.00	307.13	4.05	-93.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300007971920	1	34	-2.0	-131.29	306.83	7.12	-124.17
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=CC2=CC=CC=C21	REAL300007971921	1	34	-2.0	-126.89	313.24	7.19	-119.70
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971922	1	39	-2.0	-141.27	347.32	7.51	-133.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC2=CC=CC=C21	REAL300007971925	0	31	-2.0	-128.56	298.76	6.13	-122.43
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007971926	1	46	-2.0	-130.16	385.51	9.71	-120.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007971927	0	34	-2.0	-129.80	320.66	6.93	-122.87
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=CC2=CC=CC=C21	REAL300007971928	0	31	-2.0	-121.80	315.80	6.75	-115.05
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971929	0	41	-2.0	-139.73	356.50	7.59	-132.14
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971931	1	37	-2.0	-123.56	339.05	8.40	-115.16
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007971932	0	34	-2.0	-125.18	311.38	4.84	-120.34
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971935	0	40	-2.0	-126.92	343.53	6.16	-120.76
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=CC2=CC=CC=C21	REAL300007971936	1	40	-2.0	-130.25	351.32	6.27	-123.98
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007971937	1	40	-2.0	-130.72	349.72	8.57	-122.15
CC1=NNC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971938	0	34	-2.0	-122.89	307.25	4.17	-118.72
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971939	0	39	-2.0	-142.71	345.09	9.47	-133.24
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007971941	1	45	-2.0	-126.88	389.28	8.97	-117.91
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971942	1	37	-2.0	-127.05	334.65	7.85	-119.20
COCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007971945	1	41	-2.0	-130.66	361.90	6.85	-123.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007971946	0	40	-2.0	-121.56	355.86	4.74	-116.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=CC2=CC=CC=C21	REAL300007971949	1	39	-2.0	-130.44	347.80	7.52	-122.92
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C	REAL300007971951	0	37	-2.0	-127.65	327.50	5.36	-122.29
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300007971954	0	43	-2.0	-127.02	366.26	7.07	-119.95
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007971955	0	40	-2.0	-125.70	351.60	6.21	-119.49
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971956	0	43	-2.0	-137.49	371.37	8.10	-129.39
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971957	0	40	-2.0	-136.97	352.28	7.52	-129.45
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1	REAL300007971958	0	40	-2.0	-135.24	350.80	5.56	-129.68
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971959	1	46	-2.0	-130.01	364.33	9.80	-120.21
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971961	1	37	-2.0	-125.83	327.64	7.92	-117.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=CC2=CC=CC=C21	REAL300007971962	1	37	-2.0	-128.06	341.00	8.05	-120.01
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971964	0	38	-2.0	-134.72	341.50	6.98	-127.74
CC1=NC2=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C2C=C1	REAL300007971966	0	42	-2.0	-150.26	368.35	8.37	-141.89
CCCN1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971968	0	40	-2.0	-137.18	354.16	7.88	-129.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=CC2=CC=CC=C21	REAL300007971974	0	42	-2.0	-123.75	364.89	4.88	-118.87
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971975	1	43	-2.0	-134.93	360.85	9.13	-125.80
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971977	1	41	-2.0	-132.88	358.18	7.34	-125.54
COCCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007971978	0	41	-2.0	-123.34	366.59	4.74	-118.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=CC2=CC=CC=C21	REAL300007971980	0	39	-2.0	-128.98	348.02	7.49	-121.49
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971982	1	41	-2.0	-129.54	353.43	7.17	-122.37
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=CC2=CC=CC=C21	REAL300007971983	0	37	-2.0	-124.50	350.79	6.20	-118.30
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=CC2=CC=CC=C21	REAL300007971984	0	37	-2.0	-123.93	344.76	6.02	-117.91
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007971986	0	38	-2.0	-138.06	342.92	8.18	-129.88
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007971987	1	40	-2.0	-132.64	349.72	8.55	-124.09
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300007971998	0	40	-2.0	-126.44	360.59	8.40	-118.04
COCCN(C1CCOCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007973110	0	45	-2.0	-138.18	365.24	4.81	-133.37
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3CCCCO3)CCC2)C=C1C(=O)[O-]	REAL300007973277	0	45	-2.0	-139.58	360.94	7.22	-132.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3CCCCO3)CCC2)=C1	REAL300007973281	1	39	-2.0	-99.62	337.97	3.66	-95.96
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]2C2CCOCC2)C=C1C(=O)[O-]	REAL300007973564	0	42	-2.0	-135.32	367.56	5.33	-129.99
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)=C1	REAL300007973568	1	36	-2.0	-95.79	337.36	2.73	-93.06
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300007973756	0	38	-2.0	-138.72	352.70	6.07	-132.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=C3C=CNC3=CC=C2)=C1	REAL300007973760	1	32	-2.0	-103.88	323.25	3.35	-100.53
COC[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007973900	0	34	-2.0	-134.02	312.68	2.88	-131.14
COC[C@@H](C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007973969	0	37	-2.0	-135.25	326.54	4.86	-130.39
CC(C)(C)C12CC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)(C1)C2	REAL300007975183	0	44	-2.0	-141.22	375.32	7.02	-134.20
CC(C)(C)C12CC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)(C1)C2	REAL300007975187	1	38	-2.0	-97.06	351.56	4.53	-92.53
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCC3)O2)C=C1C(=O)[O-]	REAL300007975303	0	42	-2.0	-136.07	366.58	5.36	-130.71
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3(CCC3)O2)=C1	REAL300007975307	1	36	-2.0	-101.67	337.29	2.65	-99.02
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC23CCCO3)C=C1C(=O)[O-]	REAL300007975425	0	42	-2.0	-136.95	357.40	5.43	-131.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC23CCCO3)=C1	REAL300007975429	1	36	-2.0	-102.07	326.21	2.81	-99.26
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@]23CCCO3)C=C1C(=O)[O-]	REAL300007975545	0	42	-2.0	-140.17	357.62	5.42	-134.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC[C@]23CCCO3)=C1	REAL300007975549	1	36	-2.0	-95.50	325.02	2.92	-92.58
CO[C@H]1C[C@H](CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007975785	0	38	-2.0	-136.50	343.20	4.07	-132.43
CO[C@H]1C[C@H](C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007975789	1	32	-2.0	-96.88	313.77	1.40	-95.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCC23CCCCO3)C=C1C(=O)[O-]	REAL300007976041	0	45	-2.0	-136.53	371.08	6.07	-130.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC23CCCCO3)=C1	REAL300007976045	1	39	-2.0	-97.15	338.20	3.50	-93.65
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCC1CCCC1(F)F	REAL300007976085	1	34	-2.0	-124.71	305.26	2.21	-122.50
O=C([O-])C1=COC(S(=O)(=O)[N-]CCC2CCCC2(F)F)=C1	REAL300007976108	1	34	-2.0	-100.45	314.16	3.29	-97.16
O=C([O-])C1=C(S(=O)(=O)[N-]CCC2CCCC2(F)F)SC=N1	REAL300007976113	1	33	-2.0	-132.01	307.04	2.84	-129.17
O=C([O-])C1=C(S(=O)(=O)[N-]CCC2CCCC2(F)F)OC=C1	REAL300007976151	1	34	-2.0	-124.11	306.37	4.02	-120.09
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCC1CCCC1(F)F	REAL300007976154	1	34	-2.0	-124.71	305.26	2.21	-122.50
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCCC2(F)F)C=C1C(=O)[O-]	REAL300007976156	0	40	-2.0	-144.07	355.68	6.45	-137.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCCC2(F)F)=C1	REAL300007976160	0	34	-2.0	-96.01	328.81	3.83	-92.18
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CCC1CCCC1(F)F	REAL300007976180	1	34	-2.0	-124.71	305.26	2.21	-122.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(CF)C2)C=C1C(=O)[O-]	REAL300007976250	0	34	-2.0	-139.31	312.90	5.87	-133.44
COC1(C(F)(F)F)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007976347	0	38	-2.0	-133.97	346.96	4.74	-129.23
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C3=NC=CC=N3)CCC2)C=C1C(=O)[O-]	REAL300007976460	0	39	-2.0	-131.36	341.82	4.70	-126.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2(C3=NC=CC=N3)CCC2)=C1	REAL300007976464	1	33	-2.0	-103.38	317.81	3.91	-99.47
O=C([O-])C1=COC(S(=O)(=O)[N-][C@]2(C3=CC=CC=C3)C[C@@H](F)C2)=C1	REAL300007976527	1	35	-2.0	-96.62	322.54	4.84	-91.78
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300007976572	0	41	-2.0	-140.47	356.67	7.70	-132.77
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@]2(C3=CC=CC=C3)C[C@@H](F)C2)=C1	REAL300007976576	0	35	-2.0	-93.87	333.24	5.59	-88.28
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)OCCC2=CC=CC=C21	REAL300007976673	1	39	-2.0	-101.92	357.40	4.00	-97.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(CF)C2)C=C1C(=O)[O-]	REAL300007976769	0	37	-2.0	-133.98	327.53	6.73	-127.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(F)CC2)C=C1C(=O)[O-]	REAL300007976849	0	34	-2.0	-139.54	307.44	6.10	-133.44
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300007977558	1	34	-2.0	-102.87	309.23	6.58	-96.29
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300007977559	1	34	-2.0	-99.41	315.65	6.66	-92.75
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977560	1	39	-2.0	-111.58	349.73	6.98	-104.60
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300007977562	0	31	-2.0	-100.93	301.17	5.60	-95.33
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977563	1	46	-2.0	-102.13	387.93	9.18	-92.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977564	0	34	-2.0	-101.97	323.07	6.39	-95.58
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300007977565	0	31	-2.0	-95.58	318.22	6.21	-89.37
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977566	0	41	-2.0	-109.59	358.91	7.05	-102.54
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977567	1	37	-2.0	-98.56	346.02	7.99	-90.57
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300007977568	0	38	-2.0	-105.02	353.98	6.87	-98.15
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977570	1	40	-2.0	-107.73	369.96	4.11	-103.62
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300007977571	1	38	-2.0	-97.10	355.25	6.38	-90.72
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1OC	REAL300007977572	1	45	-2.0	-101.02	383.41	6.55	-94.47
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977573	1	37	-2.0	-96.08	341.45	7.88	-88.20
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977574	0	34	-2.0	-99.61	313.79	4.31	-95.30
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977577	0	40	-2.0	-101.49	345.94	5.63	-95.86
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300007977578	1	50	-2.0	-101.68	411.11	10.39	-91.29
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300007977579	1	40	-2.0	-103.00	353.73	5.75	-97.25
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977580	1	40	-2.0	-102.47	352.15	8.03	-94.44
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300007977581	0	34	-2.0	-102.72	325.73	7.28	-95.44
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300007977582	1	34	-2.0	-99.16	330.54	7.22	-91.94
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977583	0	34	-2.0	-97.94	309.66	3.64	-94.30
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CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977588	1	37	-2.0	-99.80	337.07	7.32	-92.48
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977590	1	41	-2.0	-102.21	364.33	6.32	-95.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977591	0	40	-2.0	-96.31	358.29	4.21	-92.10
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O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300007977596	1	39	-2.0	-103.15	350.23	6.98	-96.17
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=NN1C	REAL300007977598	0	37	-2.0	-100.04	329.91	4.82	-95.22
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=NN1C1=CC=CC=N1	REAL300007977602	0	43	-2.0	-104.43	383.80	7.82	-96.61
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1C	REAL300007977603	0	43	-2.0	-101.56	367.76	6.50	-95.06
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977604	0	40	-2.0	-99.82	354.00	5.69	-94.13
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977605	0	43	-2.0	-109.44	373.82	7.56	-101.88
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977606	0	40	-2.0	-110.83	354.85	6.97	-103.86
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CN1	REAL300007977607	0	40	-2.0	-110.33	353.21	5.03	-105.30
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977608	1	46	-2.0	-99.78	361.40	9.27	-90.51
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977609	1	42	-2.0	-95.56	375.72	5.99	-89.57
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1OC	REAL300007977611	0	42	-2.0	-100.39	381.05	6.36	-94.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1Br	REAL300007977612	1	37	-2.0	-100.03	348.75	7.78	-92.25
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977613	1	37	-2.0	-98.98	330.04	7.40	-91.58
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300007977614	1	40	-2.0	-102.08	364.66	9.33	-92.75
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300007977615	1	38	-2.0	-98.55	354.72	6.23	-92.32
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977616	0	49	-2.0	-101.55	407.58	8.04	-93.51
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300007977617	1	37	-2.0	-100.62	343.43	7.52	-93.10
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977618	0	45	-2.0	-110.90	392.57	6.11	-104.79
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977620	0	38	-2.0	-105.02	343.90	6.45	-98.57
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977621	0	45	-2.0	-110.55	399.38	6.69	-103.86
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=CC=C2C=C1	REAL300007977623	0	42	-2.0	-119.41	370.75	7.83	-111.58
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300007977626	0	45	-2.0	-100.53	386.40	5.13	-95.40
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977627	0	40	-2.0	-109.42	356.56	7.34	-102.08
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300007977633	0	42	-2.0	-98.34	367.28	4.35	-93.99
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300007977634	0	38	-2.0	-99.85	353.65	6.71	-93.14
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007977635	0	40	-2.0	-92.51	364.77	7.33	-85.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977636	1	40	-2.0	-94.57	363.46	8.36	-86.21
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977637	1	40	-2.0	-97.97	363.79	8.38	-89.59
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300007977638	1	40	-2.0	-95.50	363.69	8.10	-87.40
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977639	1	43	-2.0	-104.36	363.25	8.59	-95.77
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977641	1	41	-2.0	-104.56	360.59	6.82	-97.74
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977642	0	41	-2.0	-98.52	368.99	4.20	-94.32
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300007977646	0	39	-2.0	-102.76	350.44	6.96	-95.80
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300007977649	1	41	-2.0	-120.04	373.86	4.46	-115.58
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977651	1	37	-2.0	-99.68	351.95	7.87	-91.81
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977652	1	37	-2.0	-98.67	342.82	7.89	-90.78
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977653	1	41	-2.0	-101.29	355.84	6.61	-94.68
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1Cl	REAL300007977654	0	42	-2.0	-104.44	382.99	6.26	-98.18
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O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300007977658	0	37	-2.0	-106.47	349.40	5.66	-100.81
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977659	1	38	-2.0	-108.28	345.33	7.65	-100.63
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977660	1	40	-2.0	-103.69	352.13	8.03	-95.66
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977663	1	43	-2.0	-110.25	391.42	5.01	-105.24
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=CC=C21	REAL300007977670	1	46	-2.0	-101.66	399.96	8.13	-93.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300007977672	0	40	-2.0	-102.10	364.24	7.79	-94.31
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O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300007977675	1	40	-2.0	-111.33	366.99	9.41	-101.92
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300007977677	1	40	-2.0	-102.19	370.25	8.37	-93.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CC(C)=C2S1	REAL300007977679	0	43	-2.0	-104.63	380.44	9.62	-95.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1N(C)C	REAL300007977680	1	45	-2.0	-103.15	383.85	7.24	-95.91
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300007977681	0	39	-2.0	-107.10	346.23	3.50	-103.60
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1Cl	REAL300007977685	1	38	-2.0	-99.17	364.45	8.06	-91.11
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977686	0	46	-2.0	-102.24	385.38	7.16	-95.08
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300007977688	0	42	-2.0	-93.38	380.39	5.15	-88.23
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C12	REAL300007977689	0	41	-2.0	-93.47	370.48	4.31	-89.16
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=CN=C21	REAL300007977690	1	39	-2.0	-97.56	353.61	5.71	-91.85
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300007977692	0	41	-2.0	-112.38	355.03	6.63	-105.75
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300007977693	1	43	-2.0	-100.63	376.55	10.14	-90.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1F	REAL300007977694	1	41	-2.0	-99.11	358.91	6.73	-92.38
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300007977698	0	42	-2.0	-97.52	378.69	7.88	-89.64
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977699	0	33	-2.0	-92.04	303.65	3.00	-89.04
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977700	1	41	-2.0	-99.98	381.05	6.82	-93.16
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300007977703	0	34	-2.0	-94.12	341.81	6.79	-87.33
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CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300007977720	0	34	-2.0	-108.01	314.09	4.13	-103.88
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007977721	1	42	-2.0	-101.21	371.69	8.42	-92.79
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300007977722	1	34	-2.0	-96.45	325.99	7.11	-89.34
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300007977723	1	34	-2.0	-96.42	330.55	7.21	-89.21
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007977724	0	36	-2.0	-91.77	337.48	7.26	-84.51
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300007977725	1	40	-2.0	-105.40	355.20	8.87	-96.53
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300007977726	1	36	-2.0	-99.56	337.46	7.27	-92.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977727	1	39	-2.0	-98.33	352.95	8.04	-90.29
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007977729	0	36	-2.0	-113.94	330.32	8.01	-105.93
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977734	1	49	-2.0	-103.93	400.94	9.69	-94.24
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300007977735	1	37	-2.0	-98.64	348.32	7.61	-91.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977736	1	37	-2.0	-103.47	330.67	7.25	-96.22
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300007977738	0	37	-2.0	-105.44	335.11	7.97	-97.47
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300007977739	1	34	-2.0	-99.22	325.97	7.12	-92.10
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977740	1	39	-2.0	-101.35	350.50	7.01	-94.34
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977741	1	40	-2.0	-103.04	346.14	8.05	-94.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007977744	1	40	-2.0	-100.00	364.76	7.33	-92.67
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977745	1	46	-2.0	-102.26	385.47	8.91	-93.35
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977746	1	43	-2.0	-102.24	369.48	8.52	-93.72
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977747	1	43	-2.0	-102.06	373.65	8.81	-93.25
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977748	0	38	-2.0	-108.93	337.48	6.39	-102.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1Br	REAL300007977750	1	37	-2.0	-97.32	348.75	7.77	-89.55
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007977751	1	38	-2.0	-95.38	355.25	6.38	-89.00
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COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977754	0	50	-2.0	-110.34	413.70	8.68	-101.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007977755	1	39	-2.0	-101.39	353.44	7.78	-93.61
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977756	0	37	-2.0	-98.03	325.49	4.42	-93.61
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007977758	1	37	-2.0	-94.97	348.00	7.59	-87.38
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COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977760	0	42	-2.0	-110.11	366.98	5.67	-104.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1OC	REAL300007977761	1	42	-2.0	-101.51	367.98	5.80	-95.71
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CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977763	0	36	-2.0	-93.73	324.17	5.52	-88.21
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977766	1	49	-2.0	-101.91	412.72	10.09	-91.82
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1OCC	REAL300007977767	1	48	-2.0	-101.59	411.69	7.64	-93.95
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CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC([N+](=O)[O-])=C1C	REAL300007977769	1	42	-2.0	-101.49	370.33	8.30	-93.19
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1C	REAL300007977770	1	42	-2.0	-98.27	370.24	8.60	-89.67
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=C2N=C1	REAL300007977772	0	42	-2.0	-117.78	370.61	7.87	-109.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300007977773	0	40	-2.0	-109.70	359.80	7.31	-102.39
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977774	0	38	-2.0	-102.26	354.23	6.91	-95.35
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977775	1	39	-2.0	-107.42	363.44	1.55	-105.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CN=C12	REAL300007977778	1	42	-2.0	-104.71	365.53	7.86	-96.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1C	REAL300007977779	0	42	-2.0	-113.42	369.42	9.23	-104.19
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=C1	REAL300007977781	0	46	-2.0	-109.61	395.17	5.93	-103.68
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977782	1	40	-2.0	-110.70	369.95	4.11	-106.59
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300007977783	1	44	-2.0	-104.63	379.12	10.47	-94.16
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300007977785	1	40	-2.0	-110.17	350.29	8.91	-101.26
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300007977786	1	44	-2.0	-103.03	383.43	10.00	-93.03
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977787	1	37	-2.0	-98.79	331.12	7.44	-91.35
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=CC=C12	REAL300007977788	1	48	-2.0	-106.45	403.71	8.76	-97.69
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300007977789	0	35	-2.0	-109.06	334.01	4.89	-104.17
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977790	0	38	-2.0	-104.88	354.23	6.91	-97.97
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977791	1	38	-2.0	-104.41	338.75	5.88	-98.53
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977792	1	49	-2.0	-102.18	399.69	9.38	-92.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1Cl	REAL300007977793	1	37	-2.0	-99.86	344.72	7.69	-92.17
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977795	1	40	-2.0	-100.57	339.48	8.31	-92.26
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977796	1	37	-2.0	-102.55	324.32	7.38	-95.17
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CN1C	REAL300007977797	0	37	-2.0	-113.08	332.94	5.47	-107.61
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300007977799	0	35	-2.0	-107.76	325.08	5.33	-102.43
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300007977800	0	39	-2.0	-117.82	349.20	7.22	-110.60
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977801	0	40	-2.0	-96.95	365.71	7.06	-89.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1F	REAL300007977802	1	38	-2.0	-99.28	344.96	5.96	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1F	REAL300007977803	1	37	-2.0	-99.75	335.97	7.29	-92.46
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977805	0	34	-2.0	-110.27	313.26	5.68	-104.59
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2)=C1	REAL300007977806	0	33	-2.0	-99.28	304.22	4.80	-94.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CC=C12	REAL300007977811	1	44	-2.0	-107.65	378.61	8.26	-99.39
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977812	0	39	-2.0	-91.23	352.95	8.04	-83.19
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977813	1	39	-2.0	-98.86	347.51	7.86	-91.00
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977814	1	42	-2.0	-96.77	367.70	8.98	-87.79
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977815	1	46	-2.0	-102.28	390.45	9.27	-93.01
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977816	1	44	-2.0	-101.48	385.83	7.10	-94.38
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977818	1	37	-2.0	-98.68	341.46	7.89	-90.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1Cl	REAL300007977824	1	38	-2.0	-99.32	354.77	6.44	-92.88
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977830	1	37	-2.0	-96.05	346.02	7.98	-88.07
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1C	REAL300007977831	0	42	-2.0	-113.02	362.04	9.35	-103.67
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977832	1	43	-2.0	-107.38	385.44	4.88	-102.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977833	1	42	-2.0	-103.07	385.87	2.76	-100.31
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977834	0	42	-2.0	-101.47	367.14	4.93	-96.54
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977835	0	36	-2.0	-99.56	334.47	5.17	-94.39
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300007977836	0	37	-2.0	-103.93	345.81	7.95	-95.98
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1F	REAL300007977838	1	38	-2.0	-95.86	344.98	5.96	-89.90
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300007977839	0	31	-2.0	-98.89	300.35	5.50	-93.39
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300007977840	1	44	-2.0	-107.04	383.45	10.00	-97.04
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977843	0	42	-2.0	-117.89	370.51	7.88	-110.01
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CN1C	REAL300007977844	0	42	-2.0	-101.48	373.43	4.24	-97.24
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)=C1	REAL300007977846	1	45	-2.0	-104.13	393.46	10.70	-93.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300007977848	1	42	-2.0	-103.46	359.34	7.97	-95.49
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CN=CC=C32)=C1	REAL300007977849	1	39	-2.0	-108.80	345.61	7.12	-101.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007977850	0	39	-2.0	-108.23	359.56	7.42	-100.81
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977851	1	42	-2.0	-111.90	372.33	7.85	-104.05
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300007977852	0	44	-2.0	-100.53	395.22	8.16	-92.37
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300007977853	0	37	-2.0	-122.49	337.44	5.79	-116.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CC=C12	REAL300007977859	1	47	-2.0	-107.09	400.46	9.18	-97.91
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977860	0	44	-2.0	-110.45	380.76	7.97	-102.48
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300007977861	1	39	-2.0	-111.88	357.53	6.77	-105.11
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300007977862	0	41	-2.0	-101.45	369.81	7.70	-93.75
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300007977865	1	44	-2.0	-105.65	364.56	9.22	-96.43
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300007977867	1	39	-2.0	-101.23	345.21	5.88	-95.35
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977872	1	42	-2.0	-106.71	385.87	2.76	-103.95
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300007977873	0	38	-2.0	-104.79	347.26	6.64	-98.15
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977874	1	38	-2.0	-100.49	349.45	7.61	-92.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)N=C1C	REAL300007977878	0	40	-2.0	-112.87	355.01	6.37	-106.50
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300007977879	0	40	-2.0	-107.93	352.37	6.24	-101.69
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300007977880	1	39	-2.0	-103.65	345.40	7.02	-96.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1C(F)(F)F	REAL300007977883	1	40	-2.0	-99.61	363.69	8.11	-91.50
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300007977884	1	43	-2.0	-102.09	374.10	8.19	-93.90
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C12	REAL300007977885	1	42	-2.0	-97.54	375.57	6.31	-91.23
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977887	1	41	-2.0	-104.29	364.31	6.31	-97.98
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=C2O1	REAL300007977888	0	45	-2.0	-114.26	387.11	7.80	-106.46
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977889	0	37	-2.0	-99.84	335.32	5.16	-94.68
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977892	0	34	-2.0	-95.28	309.48	4.22	-91.06
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977896	1	46	-2.0	-103.56	374.01	9.82	-93.74
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300007977897	0	40	-2.0	-108.39	376.09	7.22	-101.17
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C2)=CO1	REAL300007977900	1	43	-2.0	-105.16	385.63	5.66	-99.50
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007977901	0	37	-2.0	-102.41	347.88	5.44	-96.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C(C)O1	REAL300007977902	0	37	-2.0	-100.32	332.22	6.17	-94.15
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977903	0	34	-2.0	-101.07	322.81	6.26	-94.81
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300007977904	0	37	-2.0	-104.99	339.00	6.99	-98.00
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300007977905	1	37	-2.0	-99.42	335.30	5.25	-94.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977906	0	37	-2.0	-96.35	336.43	3.28	-93.07
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300007977907	0	38	-2.0	-104.39	337.23	6.03	-98.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)SC=C1	REAL300007977908	0	34	-2.0	-103.45	320.00	6.23	-97.22
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=N2)C=C1	REAL300007977911	0	44	-2.0	-100.75	391.21	8.39	-92.36
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=CC(Cl)=C2O1	REAL300007977912	1	42	-2.0	-98.97	383.02	7.71	-91.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007977913	0	39	-2.0	-92.25	353.46	7.77	-84.48
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977915	0	37	-2.0	-100.80	332.62	4.95	-95.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300007977916	0	34	-2.0	-102.28	313.84	5.40	-96.88
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)N(C)N=C1	REAL300007977917	0	37	-2.0	-95.96	326.12	5.06	-90.90
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300007977918	0	36	-2.0	-100.19	341.24	6.07	-94.12
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C2C=C1	REAL300007977920	1	43	-2.0	-105.04	376.54	9.52	-95.52
COC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)SC=C1	REAL300007977921	0	35	-2.0	-109.89	331.41	4.87	-105.02
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977922	1	42	-2.0	-105.42	360.37	6.97	-98.45
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300007977923	0	39	-2.0	-111.98	345.55	6.41	-105.57
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300007977925	1	39	-2.0	-105.01	345.06	6.43	-98.58
CN1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C21	REAL300007977927	1	46	-2.0	-106.33	383.47	7.15	-99.18
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300007977928	0	36	-2.0	-92.62	343.96	5.82	-86.80
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977929	0	42	-2.0	-115.37	363.22	7.10	-108.27
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977930	1	42	-2.0	-97.95	371.27	8.66	-89.29
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1[N+](=O)[O-]	REAL300007977931	0	42	-2.0	-112.98	370.04	9.78	-103.20
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007977932	1	42	-2.0	-99.61	368.56	8.56	-91.05
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977934	0	37	-2.0	-99.44	333.84	4.06	-95.38
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977935	0	43	-2.0	-102.34	382.24	8.24	-94.10
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300007977936	1	41	-2.0	-102.28	358.46	8.70	-93.58
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977937	1	42	-2.0	-105.51	368.22	5.20	-100.31
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1)OCO2	REAL300007977940	1	40	-2.0	-99.10	350.33	6.05	-93.05
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300007977941	0	37	-2.0	-111.05	337.17	6.91	-104.14
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1Cl	REAL300007977942	1	38	-2.0	-96.40	354.78	6.44	-89.96
CN1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=CC=C21	REAL300007977944	1	40	-2.0	-111.12	357.52	7.94	-103.18
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007977945	0	42	-2.0	-116.88	363.05	8.40	-108.48
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=C2O1	REAL300007977946	1	39	-2.0	-100.67	352.89	4.26	-96.41
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1CC	REAL300007977947	1	46	-2.0	-104.20	386.32	9.15	-95.05
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977948	1	42	-2.0	-90.76	367.24	8.93	-81.83
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977949	0	44	-2.0	-109.05	372.83	8.35	-100.70
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977950	0	37	-2.0	-102.84	342.20	6.98	-95.86
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977951	0	35	-2.0	-93.77	331.46	4.43	-89.34
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977952	0	33	-2.0	-98.85	317.77	4.41	-94.44
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977953	0	36	-2.0	-98.51	339.25	5.18	-93.33
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(N)=NO1	REAL300007977954	0	35	-2.0	-93.19	315.67	4.00	-89.19
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977955	1	41	-2.0	-102.05	358.01	6.41	-95.64
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007977956	0	37	-2.0	-102.64	338.85	7.22	-95.42
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300007977957	0	40	-2.0	-109.72	358.53	8.58	-101.14
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300007977958	0	37	-2.0	-106.95	335.85	5.22	-101.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC(C)=C1F	REAL300007977959	1	40	-2.0	-97.16	356.28	7.93	-89.23
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=C1	REAL300007977960	1	41	-2.0	-107.77	365.24	6.34	-101.43
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300007977962	0	38	-2.0	-115.47	347.63	6.67	-108.80
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300007977963	0	36	-2.0	-112.65	340.44	6.01	-106.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977964	0	36	-2.0	-100.11	325.85	5.41	-94.70
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=C1Cl	REAL300007977968	1	37	-2.0	-97.26	344.72	7.69	-89.57
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=C1	REAL300007977969	1	40	-2.0	-110.74	357.34	7.58	-103.16
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300007977970	0	42	-2.0	-111.18	361.43	7.79	-103.39
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)=C1	REAL300007977971	1	41	-2.0	-106.69	374.34	4.45	-102.24
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300007977972	0	43	-2.0	-109.32	370.93	6.94	-102.38
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007977974	1	47	-2.0	-102.41	399.28	8.26	-94.15
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CN1CC1CC1	REAL300007977979	0	47	-2.0	-111.14	407.95	8.56	-102.58
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300007977980	0	37	-2.0	-99.36	348.99	6.09	-93.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1[N+](=O)[O-]	REAL300007977981	1	42	-2.0	-98.69	373.31	8.91	-89.78
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977982	0	41	-2.0	-98.53	355.70	6.50	-92.03
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300007977983	0	47	-2.0	-98.96	410.19	8.91	-90.05
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977984	0	37	-2.0	-90.13	350.85	5.21	-84.92
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300007977985	1	44	-2.0	-113.00	375.34	9.99	-103.01
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300007977987	0	36	-2.0	-113.58	336.33	5.57	-108.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300007977988	1	43	-2.0	-108.84	364.13	9.84	-99.00
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007977989	0	43	-2.0	-96.76	378.43	5.14	-91.62
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977990	0	38	-2.0	-101.31	341.98	6.73	-94.58
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1F	REAL300007977992	1	46	-2.0	-99.75	387.46	8.85	-90.90
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977993	0	44	-2.0	-99.49	370.22	6.70	-92.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300007977994	0	46	-2.0	-99.18	377.66	7.21	-91.97
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300007977995	0	44	-2.0	-99.71	376.67	6.95	-92.76
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977996	0	37	-2.0	-94.25	343.56	5.49	-88.76
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300007977998	1	44	-2.0	-101.85	386.46	9.37	-92.48
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007977999	0	40	-2.0	-100.36	352.09	5.75	-94.61
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978005	1	43	-2.0	-100.73	360.97	9.08	-91.65
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978006	0	37	-2.0	-106.15	335.18	3.79	-102.36
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300007978007	1	39	-2.0	-110.89	345.49	7.09	-103.80
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)N1C	REAL300007978008	0	37	-2.0	-99.89	328.42	5.64	-94.25
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=N2)=C1	REAL300007978009	0	33	-2.0	-108.06	305.84	4.63	-103.43
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978010	0	37	-2.0	-98.43	332.83	7.31	-91.12
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300007978011	0	41	-2.0	-100.36	359.14	6.27	-94.09
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300007978012	0	41	-2.0	-98.92	356.13	6.46	-92.46
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300007978013	0	44	-2.0	-98.26	378.80	7.11	-91.15
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=NN2C1	REAL300007978014	0	45	-2.0	-107.11	384.29	4.60	-102.51
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300007978015	0	40	-2.0	-101.56	376.08	7.50	-94.06
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300007978016	0	41	-2.0	-102.23	352.17	6.66	-95.57
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978018	0	44	-2.0	-106.44	383.68	7.99	-98.45
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=C2O1	REAL300007978019	0	42	-2.0	-112.75	366.64	7.18	-105.57
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007978020	0	42	-2.0	-99.47	377.91	6.25	-93.22
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)=C1	REAL300007978021	0	40	-2.0	-107.61	362.93	7.20	-100.41
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978022	0	39	-2.0	-115.84	349.93	6.20	-109.64
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978023	0	36	-2.0	-91.47	323.17	3.92	-87.55
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300007978025	1	35	-2.0	-92.15	324.13	5.38	-86.77
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300007978026	0	37	-2.0	-104.37	348.10	8.03	-96.34
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978027	0	41	-2.0	-96.59	360.17	6.36	-90.23
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1F	REAL300007978028	1	43	-2.0	-99.45	365.15	8.96	-90.49
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1OC	REAL300007978029	0	42	-2.0	-105.97	364.97	6.51	-99.46
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300007978030	0	37	-2.0	-104.63	339.01	6.87	-97.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300007978031	0	47	-2.0	-103.98	398.02	7.49	-96.49
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978032	0	46	-2.0	-102.06	388.44	7.20	-94.86
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C)=N1	REAL300007978033	0	46	-2.0	-100.42	397.15	7.35	-93.07
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C2CC2)=N1	REAL300007978034	0	41	-2.0	-102.94	364.54	6.51	-96.43
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)C=CC=C21	REAL300007978036	0	39	-2.0	-119.75	353.78	4.99	-114.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C2CCC2)=N1	REAL300007978038	0	44	-2.0	-103.35	380.79	6.99	-96.36
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CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978043	1	43	-2.0	-103.69	373.63	8.80	-94.89
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CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007978048	0	43	-2.0	-100.68	373.74	6.31	-94.37
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CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978054	1	45	-2.0	-111.33	393.82	8.63	-102.70
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CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978065	0	43	-2.0	-97.16	369.19	6.49	-90.67
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CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C2CCOCC2)=N1	REAL300007978069	0	48	-2.0	-102.12	407.58	5.72	-96.40
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978070	1	40	-2.0	-102.30	362.45	8.13	-94.17
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COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300007978073	0	35	-2.0	-99.20	333.03	5.04	-94.16
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CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978077	1	44	-2.0	-104.37	386.16	7.27	-97.10
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978078	0	44	-2.0	-98.58	388.91	7.78	-90.80
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CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978082	0	36	-2.0	-99.69	325.71	5.46	-94.23
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CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300007978107	0	36	-2.0	-100.28	329.95	3.46	-96.82
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CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978111	1	39	-2.0	-102.01	337.11	3.51	-98.50
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978112	0	34	-2.0	-101.46	313.82	5.26	-96.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300007978113	0	34	-2.0	-102.28	313.84	5.40	-96.88
CCC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978114	0	37	-2.0	-97.52	329.12	4.44	-93.08
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1OC	REAL300007978115	0	39	-2.0	-103.17	362.24	4.60	-98.57
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(F)=C1	REAL300007978118	0	38	-2.0	-105.05	347.23	6.16	-98.89
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CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978120	0	40	-2.0	-100.80	353.66	6.53	-94.27
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(CCC(=O)[O-])=C3)=CC=C21	REAL300007978121	1	41	-2.0	-108.94	362.96	8.36	-100.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978122	0	47	-2.0	-102.93	400.27	9.01	-93.92
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978124	0	40	-2.0	-113.09	347.09	8.42	-104.67
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CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C2CC2)=N1	REAL300007978127	0	44	-2.0	-103.14	386.08	7.38	-95.76
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COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978139	0	37	-2.0	-100.22	351.94	4.27	-95.95
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=C1C	REAL300007978140	0	40	-2.0	-97.12	356.56	4.00	-93.12
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300007978141	0	43	-2.0	-99.69	372.20	6.74	-92.95
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978142	0	43	-2.0	-101.11	372.84	6.33	-94.78
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)N=C1	REAL300007978145	0	45	-2.0	-105.64	381.64	6.98	-98.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978146	0	40	-2.0	-96.65	350.97	5.85	-90.80
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300007978147	0	41	-2.0	-95.81	361.45	6.70	-89.11
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300007978148	0	41	-2.0	-102.14	361.19	7.81	-94.33
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=N2)=C1	REAL300007978149	0	36	-2.0	-104.07	337.43	5.52	-98.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C=NN1C(C)C	REAL300007978151	0	43	-2.0	-100.54	372.32	6.39	-94.15
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CC1=CN=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C)=C1	REAL300007978153	0	39	-2.0	-109.89	343.01	6.07	-103.82
CC1=CN=CC=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978154	1	36	-2.0	-96.50	320.26	5.55	-90.95
COC1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978159	0	37	-2.0	-107.11	334.83	4.01	-103.10
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C(C(F)F)=C1	REAL300007978161	1	41	-2.0	-107.38	359.70	7.18	-100.20
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)N=C1	REAL300007978162	0	37	-2.0	-104.17	334.66	3.95	-100.22
CC1=CC=CN=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978163	0	36	-2.0	-106.28	320.09	5.48	-100.80
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC=NC3=CC=CC=C32)=C1	REAL300007978164	1	39	-2.0	-102.62	345.88	6.99	-95.63
CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC=CC(CCC(=O)[O-])=C1	REAL300007978165	0	40	-2.0	-116.55	355.10	5.69	-110.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)C2=NC=CC=C12	REAL300007978166	0	42	-2.0	-118.20	366.97	7.76	-110.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=CC=N1	REAL300007978167	1	36	-2.0	-97.48	326.04	5.43	-92.05
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300007978168	0	38	-2.0	-109.55	342.98	6.56	-102.99
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300007978170	0	30	-2.0	-97.66	295.83	3.70	-93.96
O=C([O-])CCC1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=N2)=C1	REAL300007978171	0	36	-2.0	-106.19	337.60	5.59	-100.60
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300007978172	0	47	-2.0	-111.38	398.70	8.60	-102.78
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007978251	0	41	-2.0	-136.77	383.17	7.90	-128.87
CC1(C2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007978453	0	44	-2.0	-136.62	372.08	9.52	-127.10
CC(CC1=CC=C(F)C=C1)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007978567	1	40	-2.0	-115.83	357.98	6.47	-109.36
CC(CC1=CC=C(F)C=C1)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007978683	1	40	-2.0	-122.59	351.57	6.41	-116.18
CC1=C(S(=O)(=O)[N-]C(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C(N)=NO1	REAL300007978726	1	38	-2.0	-107.99	328.19	3.40	-104.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007978743	0	39	-2.0	-130.81	348.84	4.99	-125.82
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007978824	1	39	-2.0	-117.80	342.46	2.88	-114.92
O=C([O-])C1=CC=C(S(=O)(=O)NCC2C=CCC2)C=C1C(=O)[O-]	REAL300007978905	0	35	-2.0	-133.84	319.32	5.61	-128.23
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2C=CCC2)=C1	REAL300007978907	1	29	-2.0	-96.23	289.91	2.92	-93.31
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007982072	1	38	-2.0	-139.77	336.10	5.34	-134.43
CC(C)C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007982123	1	36	-2.0	-132.20	325.42	3.40	-128.80
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007982124	1	36	-2.0	-139.29	317.25	5.03	-134.26
CC(C)C[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007982203	0	35	-2.0	-151.22	315.82	3.57	-147.65
CC1=NC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007982308	1	42	-2.0	-146.66	363.39	3.59	-143.07
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300007982327	1	37	-2.0	-139.41	325.44	4.21	-135.20
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CCOCC1	REAL300007982535	1	38	-2.0	-131.87	335.21	3.84	-128.03
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)C([N+](=O)[O-])=N1	REAL300007982677	1	40	-2.0	-136.72	345.60	4.16	-132.56
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)C(C(F)(F)F)=N1	REAL300007982731	1	38	-2.0	-130.06	333.03	2.14	-127.92
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCOCC1	REAL300007982734	1	38	-2.0	-139.67	328.79	3.77	-135.90
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)C(N)=NO1	REAL300007982784	1	36	-2.0	-121.28	299.48	0.74	-120.54
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=N1	REAL300007982819	0	37	-2.0	-152.12	327.41	2.30	-149.82
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007982927	1	44	-2.0	-150.85	375.09	2.34	-148.51
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=N1	REAL300007982940	1	37	-2.0	-127.01	323.90	-0.41	-127.42
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)C(F)=C1	REAL300007982952	1	39	-2.0	-142.21	333.29	2.83	-139.38
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C=C1C(=O)[O-]	REAL300007983182	0	41	-2.0	-135.90	344.86	6.90	-129.00
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCC[C@H]23)=C1	REAL300007983186	1	35	-2.0	-96.02	317.37	4.37	-91.65
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(CC3CC3)CC2)C=C1C(=O)[O-]	REAL300007983332	0	41	-2.0	-136.04	357.42	7.50	-128.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(CC3CC3)CC2)=C1	REAL300007983336	1	35	-2.0	-96.26	330.74	4.90	-91.36
CC1(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC(F)(F)C1	REAL300007983372	1	31	-2.0	-117.91	286.83	1.48	-116.43
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)CC(F)(F)C1	REAL300007983396	1	31	-2.0	-94.74	294.46	2.64	-92.10
CC1(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC(F)(F)C1	REAL300007983401	1	30	-2.0	-118.27	291.04	2.23	-116.04
CC1(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)CC(F)(F)C1	REAL300007983443	1	31	-2.0	-118.39	290.81	2.96	-115.43
CC1(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC(F)(F)C1	REAL300007983445	1	31	-2.0	-117.91	286.83	1.48	-116.43
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(F)(F)C1	REAL300007983447	0	37	-2.0	-134.98	336.36	5.82	-129.16
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC(F)(F)C1	REAL300007983451	0	31	-2.0	-90.56	309.12	3.18	-87.38
CC1(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])CC(F)(F)C1	REAL300007983470	1	31	-2.0	-117.91	286.83	1.48	-116.43
CCCC(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007983666	0	42	-2.0	-134.44	361.91	6.50	-127.94
CCCC(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007983670	1	36	-2.0	-94.27	332.45	3.80	-90.47
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)F	REAL300007984325	1	33	-2.0	-122.31	294.57	1.55	-120.76
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)CC(F)F	REAL300007984349	1	33	-2.0	-97.20	302.19	2.70	-94.50
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)CC(F)F	REAL300007984354	1	32	-2.0	-123.38	298.77	2.30	-121.08
CC(C)(C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)CC(F)F	REAL300007984394	1	33	-2.0	-122.48	298.54	3.03	-119.45
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)F	REAL300007984396	1	33	-2.0	-122.31	294.57	1.55	-120.76
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC(F)F	REAL300007984398	0	39	-2.0	-137.39	343.68	5.87	-131.52
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC(F)F	REAL300007984402	0	33	-2.0	-93.00	316.85	3.24	-89.76
CC(C)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])CC(F)F	REAL300007984421	1	33	-2.0	-122.31	294.57	1.55	-120.76
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)C([N+](=O)[O-])=N1	REAL300007984682	1	40	-2.0	-115.45	362.92	6.66	-108.79
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)C(C(F)(F)F)=N1	REAL300007984728	1	38	-2.0	-112.11	351.35	4.62	-107.49
CC1=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)C(N)=NO1	REAL300007984787	1	36	-2.0	-104.61	319.01	3.17	-101.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)=N1	REAL300007984819	0	37	-2.0	-125.37	339.68	4.76	-120.61
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)=C(C2=CC=CC=C2)O1	REAL300007984914	1	44	-2.0	-126.34	385.32	4.97	-121.37
CCN1N=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)=N1	REAL300007984926	1	37	-2.0	-110.72	333.30	2.63	-108.09
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C3=CC=CC=C32)C(F)=C1	REAL300007984937	1	39	-2.0	-116.68	349.93	5.35	-111.33
CCN1C=C(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007986006	1	40	-2.0	-130.01	371.33	5.83	-124.18
CN1C=C(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007986047	1	38	-2.0	-123.62	361.00	3.86	-119.76
O=C([O-])[C@@H](C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)OC1=CC=CC=C1	REAL300007986050	1	38	-2.0	-127.21	350.78	5.36	-121.85
CC1=C(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007986105	1	36	-2.0	-113.89	328.53	2.33	-111.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007986137	0	37	-2.0	-137.56	348.10	3.95	-133.61
CCN1N=CC(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007986239	1	37	-2.0	-121.88	341.72	1.82	-120.06
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007986250	1	39	-2.0	-129.03	358.97	4.53	-124.50
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CC=C(Cl)S2)C1(F)F	REAL300007986301	1	25	-2.0	-107.27	280.94	2.91	-104.36
CC1=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)OC2=CC=C(F)C=C12	REAL300007986410	1	34	-2.0	-113.30	328.70	4.39	-108.91
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1(F)F	REAL300007986448	1	31	-2.0	-109.94	308.14	3.76	-106.18
CC1=NOC(C)=C1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300007986502	1	30	-2.0	-104.16	285.15	2.26	-101.90
CCN1C=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C([N+](=O)[O-])=N1	REAL300007986589	1	33	-2.0	-117.99	322.27	4.18	-113.81
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C1(F)F	REAL300007986594	1	31	-2.0	-136.61	300.14	2.48	-134.13
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1(F)F	REAL300007986625	1	34	-2.0	-116.30	344.79	4.04	-112.26
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1(F)F	REAL300007986640	1	34	-2.0	-120.19	338.38	3.97	-116.22
CN1C=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(C(F)(F)F)=N1	REAL300007986643	1	31	-2.0	-112.36	310.60	2.13	-110.23
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1(F)F	REAL300007986646	1	31	-2.0	-115.90	300.76	3.66	-112.24
CC1=NC=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)S1	REAL300007986693	1	27	-2.0	-110.76	280.48	1.11	-109.65
CCC1=NC=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)S1	REAL300007986694	1	30	-2.0	-110.10	301.03	1.84	-108.26
CC1=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(N)=NO1	REAL300007986695	1	29	-2.0	-103.16	280.12	0.66	-102.50
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C1(F)F	REAL300007986723	1	31	-2.0	-111.26	311.71	2.79	-108.47
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)=N1	REAL300007986731	0	30	-2.0	-126.73	298.09	2.25	-124.48
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1(F)F	REAL300007986760	1	34	-2.0	-113.30	337.86	4.16	-109.14
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)S1	REAL300007986765	1	36	-2.0	-111.47	340.63	2.95	-108.52
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300007986767	1	33	-2.0	-129.47	313.72	2.87	-126.60
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C1(F)F	REAL300007986807	1	28	-2.0	-113.83	291.98	3.71	-110.12
CC1=NC(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C(C2=CC=CC=C2)O1	REAL300007986842	1	37	-2.0	-121.73	345.37	2.52	-119.21
CCN1N=CC(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)=N1	REAL300007986855	0	30	-2.0	-111.11	291.70	0.11	-111.00
COC1=CSC(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1OC	REAL300007986861	1	33	-2.0	-115.45	321.81	2.05	-113.40
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(F)=C1	REAL300007986865	0	32	-2.0	-118.27	308.98	2.84	-115.43
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1(F)F	REAL300007986878	1	27	-2.0	-111.23	299.61	1.24	-109.99
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=C(Cl)OC=C2)C1(F)F	REAL300007986881	1	25	-2.0	-110.71	270.75	1.79	-108.92
O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=CS2)C1(F)F	REAL300007986882	1	25	-2.0	-108.33	280.76	2.81	-105.52
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300007986889	1	31	-2.0	-112.52	313.73	0.94	-111.58
CCOC1=CC=CN=C1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300007986917	1	34	-2.0	-129.14	316.83	2.59	-126.55
COC1=CC=C(C2CC2)C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007986962	1	38	-2.0	-132.21	348.48	4.37	-127.84
CC1C2=C(C=CS2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007987693	0	38	-2.0	-135.69	337.22	7.72	-127.97
COC1=CC=CC2=C1OCCCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007987759	1	39	-2.0	-127.02	346.16	3.66	-123.36
CC(C)OC1=CC(Cl)=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007987831	1	37	-2.0	-124.42	355.58	4.34	-120.08
C[C@H]1C2=CC=CC=C2O[C@H]1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007988649	0	42	-2.0	-135.09	373.47	6.42	-128.67
C[C@H]1C2=CC=CC=C2O[C@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007988653	1	36	-2.0	-102.33	343.95	3.74	-98.59
O=C([O-])C1=CC=C(S(=O)(=O)NCC23CCC(CC2)O3)C=C1C(=O)[O-]	REAL300007988768	0	39	-2.0	-135.85	340.11	4.42	-131.43
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC23CCC(CC2)O3)=C1	REAL300007988772	1	33	-2.0	-99.83	311.53	1.76	-98.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300007989499	0	38	-2.0	-140.57	343.02	5.88	-134.69
CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007989606	0	42	-2.0	-152.13	359.40	5.20	-146.93
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CCC2)C=C1C(=O)[O-]	REAL300007989722	0	37	-2.0	-134.56	331.32	5.88	-128.68
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCC2)=C1	REAL300007989724	1	31	-2.0	-94.45	301.88	3.19	-91.26
O=C([O-])C1=CC=C(S(=O)(=O)NCCCC2C=CCC2)C=C1C(=O)[O-]	REAL300007989819	0	41	-2.0	-135.14	360.47	7.08	-128.06
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCC2C=CCC2)=C1	REAL300007989823	1	35	-2.0	-95.00	331.02	4.40	-90.60
CC1([N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC(F)(F)C1	REAL300007989965	1	27	-2.0	-121.80	268.70	1.79	-120.01
CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC(F)(F)C1	REAL300007990008	0	34	-2.0	-136.47	309.90	5.05	-131.42
CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC(F)(F)C1	REAL300007990012	0	28	-2.0	-93.45	285.98	2.70	-90.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C(F)(F)F)S2)=C1	REAL300007990103	1	28	-2.0	-90.02	322.95	3.63	-86.39
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3COC[C@@H]3C2)C=C1C(=O)[O-]	REAL300007990190	0	36	-2.0	-140.66	318.77	4.28	-136.38
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCCC3O2)C=C1C(=O)[O-]	REAL300007990299	0	42	-2.0	-134.94	361.85	5.21	-129.73
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CCCC3O2)=C1	REAL300007990303	1	36	-2.0	-100.77	331.20	2.51	-98.26
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCN2C=CC(C(F)(F)F)=N2)=C1	REAL300007990491	1	31	-2.0	-94.82	335.92	2.33	-92.49
CN1N=NN=C1C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007990589	0	42	-2.0	-158.02	370.74	5.37	-152.65
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC=CC=N2)C=C1C(=O)[O-]	REAL300007990676	0	32	-2.0	-139.43	311.48	3.27	-136.16
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC=CC=N2)=C1	REAL300007990679	1	26	-2.0	-102.05	282.04	0.61	-101.44
C[C@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007992239	1	32	-2.0	-114.70	320.43	3.10	-111.60
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007992356	0	49	-2.0	-134.38	378.51	7.31	-127.07
C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007992360	1	43	-2.0	-98.14	356.82	5.26	-92.88
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007992471	0	44	-2.0	-134.06	381.33	5.58	-128.48
CC(C)OC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCC1	REAL300007992475	1	38	-2.0	-93.64	345.57	3.70	-89.94
CC1(C(F)(F)F)CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007992589	0	37	-2.0	-135.23	341.07	6.46	-128.77
C=CC(C)(C)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007992778	0	43	-2.0	-134.46	368.50	6.67	-127.79
C=CC(C)(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007992782	1	37	-2.0	-93.99	339.05	3.99	-90.00
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2=CC=CC=C21	REAL300007992895	0	41	-2.0	-135.16	355.96	8.58	-126.58
C[C@@H]1CC(C)(C)C[C@@](C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007993057	0	49	-2.0	-138.19	364.75	7.59	-130.60
C[C@@H]1CC(C)(C)C[C@@](C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007993061	1	43	-2.0	-94.21	354.62	6.14	-88.07
COCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007993172	0	43	-2.0	-135.71	369.94	4.68	-131.03
COCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007993176	1	37	-2.0	-93.97	340.49	1.98	-91.99
CCOC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007993283	0	41	-2.0	-133.35	368.49	7.72	-125.63
CC1(C)COC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007993415	0	41	-2.0	-138.18	358.81	4.42	-133.76
CC1(C)COC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300007993419	1	35	-2.0	-98.74	329.40	1.74	-97.00
CCN(C1=CC=C(F)C(C)=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007993525	0	40	-2.0	-131.53	365.02	9.05	-122.48
COCC1(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300007994255	0	41	-2.0	-136.62	347.22	5.54	-131.08
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994295	0	31	-2.0	-122.44	309.59	2.57	-119.87
O=C([O-])C1CCCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)C1	REAL300007994296	0	39	-2.0	-104.23	351.25	4.65	-99.58
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)CC1	REAL300007994297	0	39	-2.0	-101.46	347.83	4.63	-96.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)O1	REAL300007994299	1	31	-2.0	-101.44	318.24	3.91	-97.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)O1	REAL300007994300	1	34	-2.0	-102.61	336.47	4.37	-98.24
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994301	0	33	-2.0	-99.29	319.68	4.15	-95.14
O=C([O-])C1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994302	0	36	-2.0	-124.61	332.99	4.38	-120.23
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)C=C1	REAL300007994303	0	37	-2.0	-96.48	357.44	6.26	-90.22
O=C([O-])C1CCN(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)CC1	REAL300007994304	0	39	-2.0	-101.46	347.83	4.63	-96.83
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=C1	REAL300007994305	0	37	-2.0	-105.94	357.44	6.25	-99.69
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)O1	REAL300007994306	1	31	-2.0	-101.44	318.24	3.91	-97.53
O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994307	0	33	-2.0	-99.29	319.68	4.15	-95.14
O=C([O-])C1=CSC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=C1	REAL300007994308	1	31	-2.0	-101.43	326.67	4.56	-96.87
O=C([O-])C1=COC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=C1	REAL300007994313	0	31	-2.0	-100.53	318.49	3.63	-96.90
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994317	1	30	-2.0	-123.01	311.81	3.78	-119.23
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)SC=N1	REAL300007994318	0	30	-2.0	-124.49	315.07	3.24	-121.25
O=C([O-])CCCCCS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994320	0	39	-2.0	-95.62	362.67	5.72	-89.90
CN(CCC(=O)[O-])S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994323	1	35	-2.0	-104.04	332.99	3.76	-100.28
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)C=C1	REAL300007994325	0	37	-2.0	-96.48	357.44	6.26	-90.22
O=C([O-])CC1(CS(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)CC1	REAL300007994328	0	37	-2.0	-107.11	343.98	5.44	-101.67
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=C1	REAL300007994333	1	34	-2.0	-103.62	336.21	4.50	-99.12
O=C([O-])C1=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)OC=C1	REAL300007994334	0	31	-2.0	-121.90	310.70	4.38	-117.52
O=C([O-])C1(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)CCC1	REAL300007994335	0	34	-2.0	-118.94	318.72	4.76	-114.18
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994336	0	31	-2.0	-122.44	309.59	2.57	-119.87
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=C1	REAL300007994338	1	33	-2.0	-104.37	329.70	3.66	-100.71
O=C([O-])C1=CC=CC=C1CS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994339	0	37	-2.0	-124.22	347.40	6.69	-117.53
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=NN1	REAL300007994341	1	31	-2.0	-97.16	316.97	1.78	-95.38
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)C1	REAL300007994343	0	34	-2.0	-103.11	324.30	4.67	-98.44
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)C1	REAL300007994344	0	37	-2.0	-106.42	338.17	5.18	-101.24
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994347	0	34	-2.0	-101.01	330.31	4.86	-96.15
O=C([O-])C1CCCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994348	0	39	-2.0	-128.04	343.12	5.73	-122.31
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(F)C=C2F)=NN1	REAL300007994349	1	31	-2.0	-97.16	316.97	1.78	-95.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994350	0	36	-2.0	-127.32	330.59	4.62	-122.70
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994351	0	31	-2.0	-122.44	309.59	2.57	-119.87
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]CC(F)(F)C1=CC=C(F)C=C1F	REAL300007994352	0	34	-2.0	-120.42	315.78	5.41	-115.01
CC(C)(C)C1=CC=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])S1	REAL300007994396	1	36	-2.0	-124.21	342.02	4.69	-119.52
CC(C)(C)C1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300007994434	0	43	-2.0	-133.93	392.81	7.79	-126.14
C[C@H](C1=CC=C(Cl)C=C1)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007994538	0	40	-2.0	-134.23	369.13	9.20	-125.03
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(C)(C)C	REAL300007994653	0	45	-2.0	-135.98	366.45	7.50	-128.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(C(F)F)C=N2)=C1	REAL300007994765	1	33	-2.0	-99.39	340.12	3.17	-96.22
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCC(C(F)(F)F)O2)=C1	REAL300007994886	1	35	-2.0	-99.41	346.42	2.62	-96.79
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@]23CCC[C@H]2OCC3)C=C1C(=O)[O-]	REAL300007994990	0	42	-2.0	-137.53	354.64	4.78	-132.75
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@]23CCC[C@H]2OCC3)=C1	REAL300007994994	1	36	-2.0	-94.75	329.28	2.27	-92.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC3=C(CCCC3)S2)C=C1C(=O)[O-]	REAL300007995100	0	40	-2.0	-137.25	370.05	5.78	-131.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC3=C(CCCC3)S2)=C1	REAL300007995104	1	34	-2.0	-99.03	340.60	3.08	-95.95
CC1CC2=CC(CNS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C2O1	REAL300007995208	0	42	-2.0	-135.18	378.56	6.64	-128.54
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC(F)=C3)CCC2)=C1	REAL300007995310	1	38	-2.0	-103.13	355.26	6.35	-96.78
CC1=CC(F)=CC=C1[C@@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007995412	0	40	-2.0	-133.54	356.36	7.21	-126.33
CCSC1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007995514	1	38	-2.0	-101.87	371.66	5.85	-96.02
CC1=CC(F)=CC=C1[C@H](C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007995616	0	40	-2.0	-136.37	361.09	7.33	-129.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCCN2CC(F)(F)F)=C1	REAL300007995714	1	36	-2.0	-95.56	345.42	1.96	-93.60
C=C1CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300007995812	0	41	-2.0	-134.13	356.74	6.83	-127.30
C=C1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300007995816	1	35	-2.0	-94.98	327.70	4.16	-90.82
CN1N=C(C(F)(F)F)C=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007995877	1	30	-2.0	-113.71	312.72	1.49	-112.22
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300007996007	0	44	-2.0	-138.07	387.10	6.77	-131.30
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC3=C(CCC3)S2)C=C1C(=O)[O-]	REAL300007996114	0	40	-2.0	-139.89	373.66	5.98	-133.91
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC3=C(CCC3)S2)=C1	REAL300007996118	1	34	-2.0	-99.36	344.20	3.27	-96.09
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300007996339	0	40	-2.0	-135.29	345.44	4.64	-130.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)=C1	REAL300007996343	1	34	-2.0	-97.19	316.34	2.01	-95.18
CN(C)C(CC[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(F)(F)F	REAL300007996385	1	35	-2.0	-120.54	312.16	-0.73	-121.27
CN(C)C(CC[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(F)(F)F	REAL300007996390	1	35	-2.0	-97.76	319.21	0.67	-97.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CCC(N(C)C)C(F)(F)F)O1	REAL300007996391	1	38	-2.0	-98.84	337.44	1.14	-97.70
CN(C)C(CC[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C(F)(F)F	REAL300007996397	1	35	-2.0	-97.76	319.21	0.67	-97.09
CN(C)C(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C(F)(F)F	REAL300007996407	1	35	-2.0	-96.83	319.70	0.40	-96.43
CN(C)C(CC[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C(F)(F)F	REAL300007996411	1	34	-2.0	-118.44	313.12	0.62	-117.82
CN(C)C(CC[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C(F)(F)F	REAL300007996412	1	34	-2.0	-120.83	316.19	0.03	-120.80
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CCC(N(C)C)C(F)(F)F)=C1	REAL300007996442	1	38	-2.0	-100.01	337.18	1.26	-98.75
CN(C)C(CC[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C(F)(F)F	REAL300007996444	1	35	-2.0	-120.69	316.13	0.74	-119.95
CN(C)C(CC[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(F)(F)F	REAL300007996447	1	35	-2.0	-120.54	312.16	-0.73	-121.27
CN(C)C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C(F)(F)F	REAL300007996449	0	41	-2.0	-135.54	363.89	3.62	-131.92
CN(C)C(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C(F)(F)F	REAL300007996453	0	35	-2.0	-92.60	334.35	0.94	-91.66
CN(C)C(CC[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C(F)(F)F	REAL300007996469	1	35	-2.0	-120.54	312.16	-0.73	-121.27
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CCC(C(F)(F)F)O2)=C1	REAL300007996662	1	35	-2.0	-98.96	349.63	2.60	-96.36
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007996736	1	31	-2.0	-97.05	342.51	4.99	-92.06
O=C([O-])C1=CC=C(S(=O)(=O)NCC2C[C@@H]3COC[C@@H]3O2)C=C1C(=O)[O-]	REAL300007996839	0	40	-2.0	-133.62	351.43	2.56	-131.06
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2C[C@@H]3COC[C@@H]3O2)=C1	REAL300007996843	1	34	-2.0	-100.61	322.53	-0.05	-100.66
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F	REAL300007996954	1	28	-2.0	-118.20	280.73	1.25	-116.95
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)O1	REAL300007996959	1	28	-2.0	-96.99	288.11	2.65	-94.34
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)O1	REAL300007996960	1	31	-2.0	-97.17	306.33	3.13	-94.04
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)O1	REAL300007996965	1	28	-2.0	-96.99	288.11	2.65	-94.34
O=C([O-])C1=COC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)=C1	REAL300007996978	1	28	-2.0	-95.21	288.35	2.40	-92.81
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F	REAL300007996982	1	27	-2.0	-118.02	281.65	2.55	-115.47
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)SC=N1	REAL300007996983	1	27	-2.0	-121.31	285.73	2.07	-119.24
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)=C1	REAL300007997021	1	31	-2.0	-99.15	306.07	3.25	-95.90
O=C([O-])C1=C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)OC=C1	REAL300007997023	1	28	-2.0	-115.77	280.56	3.14	-112.63
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F	REAL300007997026	1	28	-2.0	-118.20	280.73	1.25	-116.95
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300007997028	0	34	-2.0	-134.10	332.26	5.62	-128.48
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)=C1	REAL300007997032	0	28	-2.0	-90.99	303.00	2.94	-88.05
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F)=C2	REAL300007997046	1	31	-2.0	-86.56	333.07	4.88	-81.68
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F	REAL300007997053	1	28	-2.0	-118.20	280.73	1.25	-116.95
CC1=CC=C(C2=NC(C[N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])=CO2)C=C1	REAL300007997095	1	36	-2.0	-126.39	348.79	2.06	-124.33
CC1=CC=C(C2=NC(C[N-]S(=O)(=O)C3=C(C(=O)[O-])N=CS3)=CO2)C=C1	REAL300007997096	1	36	-2.0	-131.41	350.93	1.54	-129.87
CC1=CC=C(C2=NC(C[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)=CO2)C=C1	REAL300007997118	1	37	-2.0	-102.39	370.13	2.46	-99.93
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CC2)C=C1C(=O)[O-]	REAL300007997265	0	38	-2.0	-136.03	339.82	6.34	-129.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2CC=CC2)=C1	REAL300007997268	1	32	-2.0	-94.42	310.35	3.65	-90.77
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CS(C)(=O)=O	REAL300007997400	0	42	-2.0	-143.15	370.69	2.95	-140.20
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CS(C)(=O)=O	REAL300007997404	1	36	-2.0	-103.21	343.86	0.32	-102.89
CC1=CN=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(C)=C1	REAL300007997471	1	32	-2.0	-124.74	303.62	2.25	-122.49
CC1=CN=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007997518	0	39	-2.0	-136.49	355.65	5.38	-131.11
CN(CCCF)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007997587	0	33	-2.0	-135.44	309.30	5.81	-129.63
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300007997683	0	44	-2.0	-137.50	384.58	8.46	-129.04
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2(C3=CC=CC=C3)CC2)=C1	REAL300007997687	1	38	-2.0	-96.77	362.80	6.03	-90.74
CN1C=CC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CC2)=N1	REAL300007997801	0	44	-2.0	-140.66	382.57	7.16	-133.50
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC(C3CC3)=NO2)C=C1C(=O)[O-]	REAL300007997918	0	37	-2.0	-133.31	348.60	5.71	-127.60
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(C3CC3)=NO2)=C1	REAL300007997922	1	31	-2.0	-93.91	319.14	3.00	-90.91
COC1=C2C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)=CNC2=CC=C1	REAL300007998014	1	39	-2.0	-105.76	373.62	3.51	-102.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3CCCO3)C2)C=C1C(=O)[O-]	REAL300007998117	0	42	-2.0	-140.94	359.21	6.15	-134.79
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3C(C2)C(F)(F)C3(F)F)C=C1C(=O)[O-]	REAL300007998227	0	35	-2.0	-134.44	331.95	6.77	-127.67
CC(C)CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007998406	1	42	-2.0	-128.56	372.09	6.06	-122.50
CCN1C=C(S(=O)(=O)[N-]C(CCCC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007998548	1	44	-2.0	-139.82	379.48	6.89	-132.93
CC(C)CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007998602	1	42	-2.0	-132.93	370.80	5.05	-127.88
CC(C)CCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007998605	1	42	-2.0	-138.99	360.57	6.59	-132.40
CC1=C(S(=O)(=O)[N-]C(CCCC(C)C)C(=O)[O-])C(N)=NO1	REAL300007998655	1	40	-2.0	-120.07	337.26	3.56	-116.51
CC(C)CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007998690	0	41	-2.0	-143.36	363.97	4.50	-138.86
CC1=NC(S(=O)(=O)[N-]C(CCCC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007998798	1	48	-2.0	-147.27	406.86	5.17	-142.10
CCN1N=CC(S(=O)(=O)[N-]C(CCCC(C)C)C(=O)[O-])=N1	REAL300007998811	1	41	-2.0	-130.25	349.74	3.10	-127.15
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCCC(C)C)C(=O)[O-])C(F)=C1	REAL300007998823	1	43	-2.0	-139.26	368.81	5.74	-133.52
O=C([O-])C(CC1=CC2=CC=CC=C2O1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007999051	1	40	-2.0	-141.42	371.68	6.62	-134.80
CC1=C(S(=O)(=O)[N-]C(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C(N)=NO1	REAL300007999087	1	38	-2.0	-123.10	341.29	4.27	-118.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300007999104	0	39	-2.0	-152.27	363.86	5.85	-146.42
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300007999164	1	39	-2.0	-134.35	355.83	3.76	-130.59
O=C([O-])C(CC1CCCO1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007999354	1	38	-2.0	-135.51	338.19	4.60	-130.91
CCN1C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007999496	1	40	-2.0	-144.62	352.61	4.75	-139.87
CN1C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007999550	1	38	-2.0	-137.15	341.89	2.84	-134.31
O=C([O-])C(CC1CCCO1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007999553	1	38	-2.0	-143.24	334.71	4.12	-139.12
CC1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])C(N)=NO1	REAL300007999603	1	36	-2.0	-125.50	310.55	1.13	-124.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])=N1	REAL300007999638	0	37	-2.0	-154.74	332.01	2.73	-152.01
CC1=NC(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007999746	1	44	-2.0	-152.96	384.75	2.45	-150.51
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])=N1	REAL300007999759	1	37	-2.0	-137.71	324.79	0.94	-136.77
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCCO2)C(=O)[O-])C(F)=C1	REAL300007999771	1	39	-2.0	-145.32	340.99	3.34	-141.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC(C(F)(F)F)O2)C=C1C(=O)[O-]	REAL300007999904	0	38	-2.0	-135.31	358.01	4.48	-130.83
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC(C(F)(F)F)O2)=C1	REAL300007999908	1	32	-2.0	-99.91	328.58	1.79	-98.12